Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098542809487
cohesive_energy=4.242432871546096
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-19, 5.01901056720108e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.01639832381421697
Energy: 0.01700250931023037
Energy: 1.0688410530844206
Energy: 0.10643090868637065
Energy: 0.017002509309636718
Energy: 1.1989567163261614
Energy: 0.10643090868759288
Energy: 1.1989567163200505
Energy: 1.0688410530838268
Energy: 0.10643090868885002
Energy: 0.01639832381421697
Energy: 0.01700250931023037
Energy: 0.10643090868577701
Energy: 1.198956716316349
Energy: 0.01700250931023037
Energy: 1.1989567163310852

minimum gb energy = 0.01639832381421697 eV
minimum distance =  2.51474212915842 Angstroms
sigma value = 1


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

Energy: 1.0097819353814421
Energy: 0.7867996109820078
Energy: 0.832443555638471
Energy: 0.8305510936309253
Energy: 0.9070946399738771
Energy: 0.8700658623618652
Energy: 0.8467827751800927
Energy: 0.870065862361103
Energy: 0.8176766436540156
Energy: 0.8143964979289238
Energy: 0.8579957209471526
Energy: 0.814396497929686
Energy: 0.8465491829784925
Energy: 0.8504154903209757
Energy: 0.8468141181273793
Energy: 0.8504154903225004
Energy: 0.9228578318077686
Energy: 0.8488652531486627
Energy: 0.8476058438839754
Energy: 0.8488652531494251
Energy: 0.8457673916942954
Energy: 0.9945264018896646
Energy: 0.8471436764905089
Energy: 0.9945264018911893
Energy: 0.8463662832265663
Energy: 0.9960852400368776
Energy: 0.9193134752602475
Energy: 0.9960852400368776
Energy: 0.9211773727657565
Energy: 1.0731366435302097
Energy: 0.8543208869693109
Energy: 1.0731366435302097
Energy: 0.854279188317654
Energy: 1.0693038813538946
Energy: 0.8524008966482148
Energy: 1.0693038813546571
Energy: 0.9168017613748439
Energy: 1.069009589147737
Energy: 0.9270231234925151
Energy: 1.069009589147737
Energy: 0.9156809365661441
Energy: 1.0687188720585359
Energy: 0.8540680989194875
Energy: 1.0687188720577734
Energy: 0.9208168740321678
Energy: 1.0674140223232258
Energy: 0.8556006271985623
Energy: 1.0674140223232258
Energy: 0.847095629262097
Energy: 0.9969338614045746
Energy: 0.9156606799125123
Energy: 0.9969338614045746
Energy: 0.8472115350880551
Energy: 0.9961025521375153
Energy: 0.9131077640359896
Energy: 0.9961025521382777
Energy: 0.9184837829325664
Energy: 0.847657458663569
Energy: 0.8471752033213789
Energy: 0.847657458663569
Energy: 0.8474258035543965
Energy: 0.8483976716275577
Energy: 0.8460419263502569
Energy: 0.8483976716275577
Energy: 0.8155109074319276
Energy: 0.8129926616494727
Energy: 0.7855527555175157
Energy: 0.8129926616471858
Energy: 0.8467059919450713
Energy: 0.8469450882791092
Energy: 0.907581298363978
Energy: 0.8469450882791092
Energy: 0.8580817982258786
Energy: 0.8188604849798001
Energy: 0.8185143536255205
Energy: 0.8188604849782753
Energy: 0.8487578734057131
Energy: 0.8465827492783231
Energy: 0.846274467172221
Energy: 0.8465827492775608
Energy: 0.8494374789235856
Energy: 0.8465974065803622
Energy: 0.9223000920721072
Energy: 0.8465974065803622
Energy: 0.8464712868495966
Energy: 0.8491785311925847
Energy: 0.8456078285991726
Energy: 0.849178531193347
Energy: 0.9195414032189276
Energy: 0.9967395684248262
Energy: 0.9140425659649314
Energy: 0.9967395684255885
Energy: 0.8535628798155971
Energy: 0.9952437623660385
Energy: 0.9237143648874915
Energy: 0.9952437623668008
Energy: 0.8527659339234133
Energy: 1.0702799417579043
Energy: 0.8545570805792051
Energy: 1.0702799417586664
Energy: 0.9294781675026063
Energy: 1.0680277751642875
Energy: 0.9193392061433802
Energy: 1.0680277751642875
Energy: 0.853862628623238
Energy: 1.0698731149952487
Energy: 0.9154844837049029
Energy: 1.0698731149952487
Energy: 0.9132012898572542
Energy: 1.068233162949855
Energy: 0.9219850639340526
Energy: 1.068233162949855
Energy: 0.9152776248692426
Energy: 0.9975204004776295
Energy: 0.8475781338767869
Energy: 0.9975204004776295
Energy: 0.9128021295208644
Energy: 0.9996134318233911
Energy: 0.8480023810340386
Energy: 0.9996134318249157
Energy: 0.8482798402584985
Energy: 0.8478905998825876
Energy: 0.9189757064542096
Energy: 0.8478905998818252
Energy: 0.8461871597286895
Energy: 0.8474486358647866
Energy: 0.8477310993309772
Energy: 0.8474486358663113
Energy: 0.7861958220498787
Energy: 0.8133959130154684
Energy: 0.8146916331700033
Energy: 0.8133959130162308

minimum gb energy = 0.7855527555175157 eV
minimum distance =  2.28187818160998 Angstroms
sigma value = 1


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

Energy: 1.9310324823881557
Energy: 0.83958927919012
Energy: 0.8885511153941126
Energy: 0.8864476829666231
Energy: 0.9782413808132123
Energy: 0.9285665175495931
Energy: 0.9079820685946216
Energy: 0.9285665175495931
Energy: 0.8701521396942677
Energy: 0.8681715964713522
Energy: 0.9167119795427975
Energy: 0.8681715964722214
Energy: 0.9064274634140388
Energy: 0.9101921904340508
Energy: 0.9079485613895265
Energy: 0.9101921904297049
Energy: 0.9123367085410737
Energy: 0.9087060118927732
Energy: 0.9075855324704526
Energy: 0.908706011891035
Energy: 0.9069577163360114
Energy: 1.0895266710937719
Energy: 0.9079652619994592
Energy: 1.0895266710929028
Energy: 0.9069093366659036
Energy: 1.0742429849970045
Energy: 0.9132323738881661
Energy: 1.0742429849978739
Energy: 0.9913952363802185
Energy: 1.0743078308403768
Energy: 0.9734046897331823
Energy: 1.074307830841246
Energy: 0.9121114655044553
Energy: 1.1435258168813507
Energy: 0.8348658129318199
Energy: 1.14352581688222
Energy: 0.9124019424549936
Energy: 1.1431569927826761
Energy: 0.9916157235552376
Energy: 1.1431569927835454
Energy: 0.9775172504807476
Energy: 1.0768723202242163
Energy: 0.9063624375110612
Energy: 1.0768723202250856
Energy: 0.9796812509531239
Energy: 1.0743603758381843
Energy: 0.9082474347441869
Energy: 1.0743603758390534
Energy: 0.9086834650501637
Energy: 0.9099761524475107
Energy: 0.981604516735109
Energy: 0.9099761524483799
Energy: 0.9073436265058048
Energy: 0.9112001246793622
Energy: 0.9035530871147581
Energy: 0.9112001246802314
Energy: 0.8360294722681275
Energy: 0.8659919817319779
Energy: 0.8691376997360964
Energy: 0.8659919817319779
Energy: 0.9777202104632109
Energy: 0.9075021460652657
Energy: 0.907760849026665
Energy: 0.9075021460652657
Energy: 0.8726155839316765
Energy: 0.8721394787677752
Energy: 0.9160177017163083
Energy: 0.8721394787686443
Energy: 0.9066507496878501
Energy: 0.9074447240683854
Energy: 0.9091846227992744
Energy: 0.9074447240640395
Energy: 0.9805434263040066
Energy: 0.9077602671898748
Energy: 0.908830922602365
Energy: 0.9077602671898748
Energy: 0.9066650383829733
Energy: 0.9103261347277133
Energy: 0.9084182006279053
Energy: 0.9103261347303209
Energy: 0.9072369690134502
Energy: 1.0746809986721857
Energy: 0.9133176652155267
Energy: 1.0746809986730548
Energy: 0.9899923547555683
Energy: 1.0743296064305232
Energy: 0.9106054082979449
Energy: 1.074329606429654
Energy: 0.9128911914411898
Energy: 1.1445219007038836
Energy: 0.8369284511108499
Energy: 1.1445219007038836
Energy: 0.9100384557708818
Energy: 1.1428425549456018
Energy: 0.985442059022248
Energy: 1.1428425549438634
Energy: 0.9774724408204649
Energy: 1.075605444207274
Energy: 0.9062879501456229
Energy: 1.0756054442107508
Energy: 0.9798368032262588
Energy: 1.073537233005752
Energy: 0.9089799667178693
Energy: 1.073537233005752
Energy: 0.9089344817262188
Energy: 0.91037765111145
Energy: 0.9818142500829122
Energy: 0.91037765111145
Energy: 0.9076306733625401
Energy: 0.9102829845991548
Energy: 0.9049094763357899
Energy: 0.910282984600024
Energy: 0.8360434154997048
Energy: 0.9075093866367335
Energy: 0.8675712373144008
Energy: 0.9075093866376028

minimum gb energy = 0.8348658129318199 eV
minimum distance =  2.25609273131022 Angstroms
sigma value = 25


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

Energy: 1.830468264646768
Energy: 0.9005435201606203
Energy: 0.9552667866874827
Energy: 0.9546358685655127
Energy: 1.0640604038329533
Energy: 0.998293295036078
Energy: 0.9813385479340963
Energy: 0.9982932950350676
Energy: 0.9304290736224221
Energy: 0.9293278370883268
Energy: 0.9897946864722356
Energy: 0.9293278370883268
Energy: 0.9803848217906752
Energy: 0.9832743874467467
Energy: 0.9816458248322809
Energy: 0.9832743874467467
Energy: 0.9816498580595439
Energy: 0.9843015034289239
Energy: 0.9816886109790965
Energy: 0.9843015034289239
Energy: 0.980677032237487
Energy: 1.1803843295311058
Energy: 0.982505256028068
Energy: 1.1803843295311058
Energy: 0.9808786031868758
Energy: 1.172157100133737
Energy: 0.9823558218758252
Energy: 1.172157100133737
Energy: 1.0761293018030196
Energy: 1.168613698856143
Energy: 1.045164986852028
Energy: 1.168613698856143
Energy: 0.980295018178987
Energy: 1.1717627545530815
Energy: 0.8962641019605299
Energy: 1.171762754554092
Energy: 0.9817997260457672
Energy: 1.1736450701321426
Energy: 0.981733396082177
Energy: 1.1736450701301218
Energy: 1.0482350317259366
Energy: 0.9831950208563653
Energy: 0.9817817372903034
Energy: 0.9831950208563653
Energy: 0.9741141492630813
Energy: 0.9828483783370919
Energy: 0.9819486655592629
Energy: 0.9828483783370919
Energy: 0.9319013561646564
Energy: 0.9296370735647077
Energy: 1.0557078242247264
Energy: 0.9296370735647077
Energy: 0.9815429758768253
Energy: 0.9808828243004138
Energy: 1.0649899110545642
Energy: 0.9808828242994033
Energy: 0.9878080118286626
Energy: 0.9359766320311184
Energy: 0.9382850622206503
Energy: 0.9359766320321287
Energy: 1.0166670456360591
Energy: 0.9809433197825865
Energy: 0.9286341963458542
Energy: 0.9809433197835971
Energy: 0.9827532622500499
Energy: 0.9817561483411121
Energy: 0.9818469645791463
Energy: 0.9817561483401016
Energy: 0.9824510352360173
Energy: 0.9817255946671513
Energy: 0.981242293020455
Energy: 0.9817255946681616
Energy: 0.9825545185353363
Energy: 1.1713759573131444
Energy: 0.9808397380718986
Energy: 1.1713759573141547
Energy: 0.9096597024373849
Energy: 1.170936687684942
Energy: 0.9812292911017416
Energy: 1.1709366876839316
Energy: 0.892883151201874
Energy: 1.1741202147366323
Energy: 0.9800953164198974
Energy: 1.1741202147376424
Energy: 0.9872668316902261
Energy: 1.1744236925064933
Energy: 0.9806790738098408
Energy: 1.1744236925064933
Energy: 0.9829831243108916
Energy: 0.9836644965716297
Energy: 1.0485048887246082
Energy: 0.9836644965716297
Energy: 0.9818962146012321
Energy: 0.9820130505788744
Energy: 0.9737477513619863
Energy: 0.9820130505788744
Energy: 0.8977519723941912
Energy: 0.9806770091610766
Energy: 0.9308593260524816
Energy: 0.9806770091610766

minimum gb energy = 0.892883151201874 eV
minimum distance =  2.25567326089802 Angstroms
sigma value = 9


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

Energy: 1.1539046093384366
Energy: 0.9734877354909595
Energy: 1.0349712872275603
Energy: 1.0019918963233867
Energy: 1.1202638850380486
Energy: 1.0773292282313045
Energy: 1.0754045782181665
Energy: 1.0773292282313045
Energy: 1.0032710582358995
Energy: 1.0030436272897416
Energy: 1.0209465022420894
Energy: 1.0030436272897416
Energy: 1.0024922518344346
Energy: 1.07669930099819
Energy: 1.0756492103057083
Energy: 1.0766993009993953
Energy: 1.0944382934793382
Energy: 1.0774116402297178
Energy: 1.075464861202953
Energy: 1.0774116402297178
Energy: 1.1634856114236236
Energy: 1.3178639527455813
Energy: 1.0755089139390543
Energy: 1.3178639527467866
Energy: 1.1794883470826358
Energy: 1.3142040220315974
Energy: 1.1641330769863063
Energy: 1.3142040220315974
Energy: 1.0939034406499433
Energy: 1.3165527812837292
Energy: 1.1655347299420256
Energy: 1.3165527812837292
Energy: 1.0762101025137485
Energy: 1.076262696524368
Energy: 1.125779232634401
Energy: 1.0762626965231628
Energy: 1.0754684435080852
Energy: 1.0767435849033915
Energy: 1.0515729077980795
Energy: 1.0767435849033915
Energy: 0.9661641603663582
Energy: 1.0031762380328215
Energy: 1.003489778884539
Energy: 1.0031762380328215
Energy: 1.1198125167460762
Energy: 1.0727281734991392
Energy: 1.0143007836599374
Energy: 1.0727281734991392
Energy: 1.0156431801505161
Energy: 1.0136631671803593
Energy: 1.0214390214990876
Energy: 1.0136631671803593
Energy: 1.0024043559400866
Energy: 1.072725367078565
Energy: 1.0949073844549557
Energy: 1.072725367078565
Energy: 1.1700998699886986
Energy: 1.0736965230080766
Energy: 1.0765538273048605
Energy: 1.0736965230092819
Energy: 1.1646663067589567
Energy: 1.0768675399747296
Energy: 1.076171476875567
Energy: 1.0768675399735241
Energy: 1.1790290441608513
Energy: 1.3184744388113756
Energy: 1.1638114357154787
Energy: 1.3184744388101703
Energy: 1.1784236003018458
Energy: 1.3158684336156257
Energy: 1.1639296644254924
Energy: 1.3158684336168311
Energy: 1.0771396744685355
Energy: 1.076204308141342
Energy: 0.9626252395127518
Energy: 1.0762043081389314
Energy: 1.0755481469050399
Energy: 1.0762235361019459
Energy: 0.9620404178796059
Energy: 1.0762235361019459
Energy: 0.9665830416444582
Energy: 1.002290654788504
Energy: 1.0036552958983669
Energy: 1.002290654788504

minimum gb energy = 0.9620404178796059 eV
minimum distance =  2.28058524974575 Angstroms
sigma value = 25


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

Energy: 1.3410594450152766
Energy: 1.0700950822278854
Energy: 1.157750338819718
Energy: 1.1149061338582147
Energy: 1.1183883717420295
Energy: 1.1435667071803575
Energy: 1.124837137202535
Energy: 1.1435667071803575
Energy: 1.1133308976225358
Energy: 1.1130767515703237
Energy: 1.118474189671398
Energy: 1.1130767515703237
Energy: 1.111466045367514
Energy: 1.144228638166016
Energy: 1.0876789060010676
Energy: 1.1442286381645592
Energy: 1.0895367571591108
Energy: 1.262735168099297
Energy: 1.0881160186700451
Energy: 1.262735168099297
Energy: 1.0607135040373552
Energy: 1.2620309563613148
Energy: 1.0876311223715869
Energy: 1.2620309563613148
Energy: 1.057322169552965
Energy: 1.2622757290042508
Energy: 1.0904302411603801
Energy: 1.2622757290042508
Energy: 1.0573948174573125
Energy: 1.2623562857258075
Energy: 1.0917844355376178
Energy: 1.2623562857258075
Energy: 1.1139997880285366
Energy: 1.1133897680309286
Energy: 1.1574460972775098
Energy: 1.1133897680294378
Energy: 1.1244971021325842
Energy: 1.1124596940331573
Energy: 1.1574778658482257
Energy: 1.1124596940331573
Energy: 1.1175800063224766
Energy: 1.1120074382908456
Energy: 1.1268792386248363
Energy: 1.1120074382893548
Energy: 1.1167642907719908
Energy: 1.0614373348846633
Energy: 1.113285615082784
Energy: 1.0614373348846633
Energy: 1.0876878492553068
Energy: 1.2692037459167185
Energy: 1.0895138326075366
Energy: 1.2692037459167185
Energy: 1.0879922374417876
Energy: 1.2628418201063512
Energy: 1.0625006956730079
Energy: 1.2628418201063512
Energy: 1.0881050543906237
Energy: 1.261977966333856
Energy: 1.0567140993300284
Energy: 1.2619779663353468
Energy: 1.087666893046419
Energy: 1.2619501291740403
Energy: 1.057382961223927
Energy: 1.2619501291740403
Energy: 1.1567403220148262
Energy: 1.113930540170745
Energy: 1.112501787455742
Energy: 1.113930540170745

minimum gb energy = 1.0567140993300284 eV
minimum distance =  2.28575060060831 Angstroms
sigma value = 17


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

Energy: 2.0405261677953788
Energy: 1.167813693903865
Energy: 1.2464255520196985
Energy: 1.1956641070291987
Energy: 1.1654658525428288
Energy: 1.344492972815975
Energy: 1.2144044186415373
Energy: 1.3444929728151302
Energy: 1.130851938985375
Energy: 1.1313438756601149
Energy: 1.1954886357802337
Energy: 1.1313438756567382
Energy: 1.1309108831256205
Energy: 1.3423825566123702
Energy: 1.1300892683945145
Energy: 1.3423825566132144
Energy: 1.221431497476249
Energy: 1.3963116330388115
Energy: 1.265794966587284
Energy: 1.3963116330379672
Energy: 1.1326509262978182
Energy: 1.3978523362773911
Energy: 1.1294641739307203
Energy: 1.3978523362782354
Energy: 1.156236808003847
Energy: 1.1300594120022651
Energy: 1.1334087013262273
Energy: 1.1300594120022651
Energy: 1.225221346477987
Energy: 1.1298953905193423
Energy: 1.1567308301892896
Energy: 1.1298953905193423
Energy: 1.2152559707820123
Energy: 1.1923049618604158
Energy: 1.1999569074641072
Energy: 1.1923049618604158
Energy: 1.1937487439256995
Energy: 1.1922393542334684
Energy: 1.2191402196206413
Energy: 1.1922393542334684
Energy: 1.2246652535658094
Energy: 1.1925927440797675
Energy: 1.1257582154335972
Energy: 1.192592744078923
Energy: 1.1918731382178336
Energy: 1.1929753389851274
Energy: 1.187734192056926
Energy: 1.1929753389859719
Energy: 1.1532902132709788
Energy: 1.1966354364472642
Energy: 1.1888331000590815
Energy: 1.1966354364481084
Energy: 1.1536288852293715
Energy: 1.1937455183326413
Energy: 1.125974879830993
Energy: 1.193745518331797
Energy: 1.191681357425407
Energy: 1.190798474217756
Energy: 1.2312486168102252
Energy: 1.1907984742186004
Energy: 1.2162093486038597
Energy: 1.1909458643338753
Energy: 1.2313248136870434
Energy: 1.1909458643347197
Energy: 1.1954564076029346
Energy: 1.1306675036344453
Energy: 1.1582030864366508
Energy: 1.1306675036352896
Energy: 1.1960980899018647
Energy: 1.130411139524422
Energy: 1.1312545353259036
Energy: 1.130411139524422
Energy: 1.1302031054424233
Energy: 1.3963184400642308
Energy: 1.223906190777943
Energy: 1.3963184400642308
Energy: 1.2745296028244337
Energy: 1.3989877689802432
Energy: 1.1338462538168812
Energy: 1.3989877689802432
Energy: 1.1319452321333008
Energy: 1.130608372183365
Energy: 1.2255563826905778
Energy: 1.130608372184209
Energy: 1.1590873257516898
Energy: 1.157310750446173
Energy: 1.1561985200209022
Energy: 1.1573107504453284
Energy: 1.1770961663666197
Energy: 1.1919801863991535
Energy: 1.214801587882579
Energy: 1.1919801863991535
Energy: 1.1995964047562266
Energy: 1.1922340815608443
Energy: 1.1924224030056372
Energy: 1.1922340815608443
Energy: 1.1886626249867682
Energy: 1.1941523567919892
Energy: 1.1924059110435408
Energy: 1.194152356791145
Energy: 1.1877775992037258
Energy: 1.193384907308324
Energy: 1.2246914101776183
Energy: 1.193384907308324
Energy: 1.125016398004172
Energy: 1.2699945090747564
Energy: 1.1550226580716374
Energy: 1.2699945090739122
Energy: 1.1888172101308843
Energy: 1.1926273793251425
Energy: 1.1533849131587968
Energy: 1.1926273793251425
Energy: 1.1898484328783292
Energy: 1.3418020670992645
Energy: 1.1533885034903895
Energy: 1.3418020670992645
Energy: 1.2312493141146184
Energy: 1.1921903033095258
Energy: 1.1914066551696891
Energy: 1.1921903033087198

minimum gb energy = 1.125016398004172 eV
minimum distance =  2.28870539258291 Angstroms
sigma value = 53


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

Energy: 1.8481166459967024
Energy: 1.1229864410363628
Energy: 1.2479630811230529
Energy: 1.178239629015765
Energy: 1.2389819090923728
Energy: 1.1772020403946937
Energy: 1.1805009430413018
Energy: 1.1772020403966372
Energy: 1.1777902787178844
Energy: 1.1788399599751511
Energy: 1.1985466127227504
Energy: 1.1788399599770507
Energy: 1.1795663551043853
Energy: 1.180939609847818
Energy: 1.1775897374785915
Energy: 1.180939609847818
Energy: 1.1971861726739057
Energy: 1.180514269964981
Energy: 1.1052865062494093
Energy: 1.180514269964981
Energy: 1.1768113476149993
Energy: 1.1818721058595314
Energy: 1.1054127852784201
Energy: 1.1818721058575876
Energy: 1.2342419422735114
Energy: 1.1774599592289663
Energy: 1.1809600764556876
Energy: 1.1774599592289663
Energy: 1.2340982218554226
Energy: 1.177246071788727
Energy: 1.176989408539657
Energy: 1.177246071788727
Energy: 1.1796668630542426
Energy: 1.178087689671694
Energy: 1.1999404655589394
Energy: 1.1780876896736374
Energy: 1.178283417630362
Energy: 1.1772223168446707
Energy: 1.1779611254486035
Energy: 1.1772223168446707
Energy: 1.1968948545237332
Energy: 1.183094539935294
Energy: 1.106079479672902
Energy: 1.1830945399372372
Energy: 1.1798861860447163
Energy: 1.1802396504178976
Energy: 1.1089471083193931
Energy: 1.1802396504178976
Energy: 1.2343223463985282
Energy: 1.17709874816578
Energy: 1.1769701048819692
Energy: 1.17709874816578

minimum gb energy = 1.1052865062494093 eV
minimum distance =  2.28650933748282 Angstroms
sigma value = 9


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

Energy: 1.7469213342679004
Energy: 1.1968765626208817
Energy: 1.3178464123335594
Energy: 1.2299592083591742
Energy: 1.24990644438499
Energy: 1.1673995396903811
Energy: 1.3218161231786671
Energy: 1.1673995396925392
Energy: 1.167707586931535
Energy: 1.1690453373000633
Energy: 1.2290010396380542
Energy: 1.1690453372986247
Energy: 1.1717989831219793
Energy: 1.1689055988140047
Energy: 1.2764261581967629
Energy: 1.1689055988140047
Energy: 1.1696403265590165
Energy: 1.1674625963346348
Energy: 1.2744738131662303
Energy: 1.167462596335354
Energy: 1.2241981672544888
Energy: 1.167395746701868
Energy: 1.2742397061932034
Energy: 1.1673957467011484
Energy: 1.3190427439029202
Energy: 1.2283659811366159
Energy: 1.3154260530318895
Energy: 1.2283659811373353
Energy: 1.3190467328762676
Energy: 1.2271141259744756
Energy: 1.2289088534134556
Energy: 1.2271141259737564
Energy: 1.1606827269644318
Energy: 1.382573311921435
Energy: 1.2021296459041408
Energy: 1.3825733117374148
Energy: 1.19502616780442
Energy: 1.3543426344701248
Energy: 1.2321421859108743
Energy: 1.3543426344694054
Energy: 1.1571100190878756
Energy: 1.1569446845498277
Energy: 1.346136778942365
Energy: 1.1569446845483886
Energy: 1.2573900195357797
Energy: 1.2153804573860985
Energy: 1.2784494143575698
Energy: 1.2153804573860985
Energy: 1.3159441767333933
Energy: 1.1575230518062603
Energy: 1.3332704032107414
Energy: 1.1575230518048216
Energy: 1.3159006273895508
Energy: 1.1580885436604278
Energy: 1.161700347475579
Energy: 1.1580885436604278
Energy: 1.2265447548479727
Energy: 1.354148321030063
Energy: 1.1986615276728823
Energy: 1.3541483210315017
Energy: 1.1765074685499204
Energy: 1.3795538910652296
Energy: 1.1984512353264447
Energy: 1.3795538910652296
Energy: 1.2335709553587795
Energy: 1.3814851503210663
Energy: 1.1612354170381411
Energy: 1.381485150320347
Energy: 1.2265290949629553
Energy: 1.2290734064791764
Energy: 1.28236544610315
Energy: 1.2290734064798956
Energy: 1.3195143365328432
Energy: 1.2272869014675185
Energy: 1.3045693653806016
Energy: 1.2272869014675185
Energy: 1.2290245362735097
Energy: 1.1690131910701276
Energy: 1.1681436888572274
Energy: 1.1690131910694082
Energy: 1.3172441902587368
Energy: 1.168158909743583
Energy: 1.170686878795849
Energy: 1.1681589097443026
Energy: 1.2741188133010466
Energy: 1.1669585949078547
Energy: 1.1676316549834345
Energy: 1.166958594906416
Energy: 1.274457867811495
Energy: 1.1678332741192723
Energy: 1.2231009035600175
Energy: 1.1678332741199915
Energy: 1.3149355481288667
Energy: 1.2277732916118103
Energy: 1.319191820901218
Energy: 1.2277732916110908
Energy: 1.229263353923972
Energy: 1.2275165812437223
Energy: 1.3189898756055556
Energy: 1.2275165812422837
Energy: 1.2006085884309379
Energy: 1.426943066383726
Energy: 1.1589601155914624
Energy: 1.4269430665009128
Energy: 1.232887465421652
Energy: 1.3541030354497432
Energy: 1.1943749225008786
Energy: 1.3541030354490238
Energy: 1.346134910943183
Energy: 1.1571298262277971
Energy: 1.1580974790129501
Energy: 1.1571298262277971
Energy: 1.278368089328812
Energy: 1.1730294365626541
Energy: 1.2026775745662328
Energy: 1.173029436560496
Energy: 1.3343582868932173
Energy: 1.1577093981115651
Energy: 1.3162243096332367
Energy: 1.1577093981108457
Energy: 1.161950873459465
Energy: 1.1585557278492002
Energy: 1.2319729001941775
Energy: 1.1585557278506393
Energy: 1.166045635414568
Energy: 1.33361342659867
Energy: 1.2276878337983868
Energy: 1.333613426597231
Energy: 1.1992884023364372
Energy: 1.377806823073256
Energy: 1.1762341553671116
Energy: 1.3778068230718172
Energy: 1.1595602144192019
Energy: 1.3804697026543005
Energy: 1.184306880010474
Energy: 1.3804697026528618
Energy: 1.2819983245804236
Energy: 1.2286384693477725
Energy: 1.23537194467362
Energy: 1.2286384693520886

minimum gb energy = 1.1569446845483886 eV
minimum distance =  2.28653744673974 Angstroms
sigma value = 73


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

Energy: 1.2822852046239894
Energy: 1.160885697196606
Energy: 1.180496039369545
Energy: 1.1820483576239826
Energy: 1.152390287845641
Energy: 1.1665510034432394
Energy: 1.2032697118185822
Energy: 1.1665510034432394
Energy: 1.1402155734019577
Energy: 1.1669674450460925
Energy: 1.2045785861319038
Energy: 1.1669674450460925
Energy: 1.166696636663096
Energy: 1.1669375264608082
Energy: 1.2423955191607001
Energy: 1.1669375264608082
Energy: 1.1745272456312434
Energy: 1.1729650875133977
Energy: 1.2726294466645665
Energy: 1.1729650875122564
Energy: 1.193799905966094
Energy: 1.173044777341101
Energy: 1.2727126996164901
Energy: 1.173044777341101
Energy: 1.2265852220562596
Energy: 1.2120618251177426
Energy: 1.2698544172537112
Energy: 1.2120618251177426
Energy: 1.2272733826003548
Energy: 1.2110202437219644
Energy: 1.2123024124832065
Energy: 1.2110202437219644
Energy: 1.1735779385458367
Energy: 1.5313740638814926
Energy: 1.2108939162979946
Energy: 1.5313740638803515
Energy: 1.199013414542124
Energy: 1.3833993637519477
Energy: 1.2124593446139382
Energy: 1.3833993637519477
Energy: 1.1747383020283544
Energy: 1.1077642704740909
Energy: 1.1103892881053858
Energy: 1.1077642704740909
Energy: 1.1868950848339854
Energy: 1.109921150601401
Energy: 1.2413725035607346
Energy: 1.1099211506002598
Energy: 1.2040898607910315
Energy: 1.3064220897117333
Energy: 1.208839959363737
Energy: 1.3064220897128747
Energy: 1.2040696523767596
Energy: 1.1561995815953947
Energy: 1.155038477779053
Energy: 1.1561995815953947
Energy: 1.2294729092285375
Energy: 1.2007580360481822
Energy: 1.15772591794551
Energy: 1.2007580360481822
Energy: 1.2725112303373796
Energy: 1.1991465384394633
Energy: 1.1615858148301976
Energy: 1.1991465384394633
Energy: 1.2724337937565167
Energy: 1.197555074018212
Energy: 1.2057934557229018
Energy: 1.197555074018212
Energy: 1.2122087381974884
Energy: 1.2581854840599858
Energy: 1.227194010288335
Energy: 1.2581854840599858
Energy: 1.1904184657517007
Energy: 1.1887640636614953
Energy: 1.2265829015088228
Energy: 1.1887640636614953
Energy: 1.243666750071681
Energy: 1.2986572095290425
Energy: 1.1810221184468632
Energy: 1.2986572095279012
Energy: 1.1884450330172716
Energy: 1.3956290167376044
Energy: 1.2004049297055288
Energy: 1.3956290167376044
Energy: 1.281280340568877
Energy: 1.180426007591535
Energy: 1.1838062480587712
Energy: 1.180426007591535

minimum gb energy = 1.1077642704740909 eV
minimum distance =  2.27228986428884 Angstroms
sigma value = 7


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

Energy: 1.3918215882185738
Energy: 1.1487722950059567
Energy: 1.299536406131242
Energy: 1.1861651214489413
Energy: 1.262608679831833
Energy: 1.362800318322594
Energy: 1.284547008898812
Energy: 1.3628003183984165
Energy: 1.1434725428230392
Energy: 1.2016487760530603
Energy: 1.2509285474661005
Energy: 1.2016487760522534
Energy: 1.1525960099088173
Energy: 1.1534123143043091
Energy: 1.2813016132482262
Energy: 1.1534123143059232
Energy: 1.148738548651942
Energy: 1.1454226971678168
Energy: 1.2384706482404586
Energy: 1.1454226971670096
Energy: 1.3097733928204507
Energy: 1.1452532466668157
Energy: 1.243942960067474
Energy: 1.145253246663588
Energy: 1.2823640429324046
Energy: 1.145801100427861
Energy: 1.3073746550521048
Energy: 1.1458011004270543
Energy: 1.28199439767499
Energy: 1.1443752095525417
Energy: 1.1452329860926715
Energy: 1.1443752095517346
Energy: 1.3177790846848552
Energy: 1.1996332438895052
Energy: 1.1998198552015595
Energy: 1.1996332438903123
Energy: 1.2336455832072648
Energy: 1.4599807964123697
Energy: 1.1424179489625756
Energy: 1.4599807964051064
Energy: 1.2807932477198571
Energy: 1.182374240018541
Energy: 1.3081289013111426
Energy: 1.182374240018541
Energy: 1.1898849582599922
Energy: 1.1839356013434503
Energy: 1.2853449386645615
Energy: 1.1839356013458715
Energy: 1.187719197023373
Energy: 1.3632665370212376
Energy: 1.1857678673365009
Energy: 1.3632665370212376
Energy: 1.1828323829523473
Energy: 1.296478232294518
Energy: 1.241685266671205
Energy: 1.2964782322912902
Energy: 1.1855834181268512
Energy: 1.3624611827295372
Energy: 1.1341858675957428
Energy: 1.3624611827448705
Energy: 1.323546944909635
Energy: 1.18394211754605
Energy: 1.1901667247457905
Energy: 1.18394211754605
Energy: 1.3230722457239827
Energy: 1.1814581344596382
Energy: 1.282029105896393
Energy: 1.181458134457217
Energy: 1.143271255183431
Energy: 1.4606236964203383
Energy: 1.2524502045187516
Energy: 1.4606236964195312
Energy: 1.2002531849040985
Energy: 1.200226983665503
Energy: 1.282812392212188
Energy: 1.20022698366631
Energy: 1.1444255370285805
Energy: 1.1439042146553298
Energy: 1.3201280988279207
Energy: 1.1439042146545229
Energy: 1.3067922350229706
Energy: 1.145511828058273
Energy: 1.2380868577072788
Energy: 1.1455118280550451
Energy: 1.2818833645144045
Energy: 1.1453409602795543
Energy: 1.3093678847083816
Energy: 1.1453409602819753
Energy: 1.2824295442874285
Energy: 1.1453217674273872
Energy: 1.1466555269719907
Energy: 1.1453217674306155
Energy: 1.3162693397577072
Energy: 1.2010699067072261
Energy: 1.1474051181231957
Energy: 1.2010699067072261
Energy: 1.2335935692109623
Energy: 1.201810509581982
Energy: 1.1440524354328465
Energy: 1.201810509582789
Energy: 1.2382541465233219
Energy: 1.3626449865357506
Energy: 1.210094683238244
Energy: 1.362644986558347
Energy: 1.1826380585280554
Energy: 1.1849472424928906
Energy: 1.8632534860489762
Energy: 1.1849472424953118
Energy: 1.1849241604376468
Energy: 1.363823410732118
Energy: 1.1809939741716833
Energy: 1.363823410734539
Energy: 1.2498953192099425
Energy: 1.299172411978475
Energy: 1.1871440611297697
Energy: 1.2991724119776682
Energy: 1.1826756198681418
Energy: 1.413175154168146
Energy: 1.2405392751276307
Energy: 1.413175154168146
Energy: 1.3234468950612426
Energy: 1.1819513368908132
Energy: 1.1869588737479497
Energy: 1.1819513368891994

minimum gb energy = 1.1341858675957428 eV
minimum distance =  2.28589779549952 Angstroms
sigma value = 29


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

Energy: 1.1933291234839667
Energy: 1.1951188673337574
Energy: 1.0823333686142993
Energy: 1.359004657723338
Energy: 1.076330934383339
Energy: 1.1558612945223998
Energy: 1.07982933522481
Energy: 1.1558612945223998
Energy: 1.08092802619441
Energy: 1.156884619070277
Energy: 1.139617674838322
Energy: 1.1568846190716202
Energy: 1.0797922172427534
Energy: 1.080905830034863
Energy: 1.079323874408363
Energy: 1.080905830034863
Energy: 1.0800279049395856
Energy: 1.0810161463156847
Energy: 1.0818825173281563
Energy: 1.0810161463154035
Energy: 1.0787952996465435
Energy: 1.156487482488362
Energy: 1.0803734533988651
Energy: 1.156487482488362
Energy: 1.1399756326271457
Energy: 1.156696677144336
Energy: 1.0793726009979772
Energy: 1.1566966771440548
Energy: 1.0791068803719035
Energy: 1.0834954498637865
Energy: 1.0774600094756337
Energy: 1.0834954498640677
Energy: 1.0759103022129943
Energy: 1.1399640427503772
Energy: 1.0813797599575738
Energy: 1.1399640427500963

minimum gb energy = 1.0759103022129943 eV
minimum distance =  2.26675939740009 Angstroms
sigma value = 5


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

Energy: 1.3338747134782776
Energy: 1.0849060788401772
Energy: 1.276722351860103
Energy: 1.0923647807255497
Energy: 1.329113156672697
Energy: 1.0741917678136563
Energy: 1.2397628441087767
Energy: 1.0741917678136563
Energy: 1.2403599349650063
Energy: 1.1710392922855886
Energy: 1.245579188351344
Energy: 1.1710392922840638
Energy: 1.1685070093391863
Energy: 1.0996471856335477
Energy: 1.2422632143056167
Energy: 1.0996471856327854
Energy: 1.2450950235217453
Energy: 1.07651044485437
Energy: 1.3317237548468486
Energy: 1.0765104448520832
Energy: 1.0780839969776663
Energy: 1.0755400909567245
Energy: 1.3297071859407672
Energy: 1.0755400909567245
Energy: 1.1105748860357765
Energy: 1.1117442390699825
Energy: 1.34590510313924
Energy: 1.1117442390707453
Energy: 1.0730429928829808
Energy: 1.0749237646481562
Energy: 1.3198264097801373
Energy: 1.0749237646473937
Energy: 1.326222223258539
Energy: 1.2276272574640752
Energy: 1.3650291139012969
Energy: 1.2276272574625506
Energy: 1.3143922697808301
Energy: 1.080712542911575
Energy: 1.0832204440997495
Energy: 1.0807125429100501
Energy: 1.3234770614742881
Energy: 1.0731514925610326
Energy: 1.0725458453418546
Energy: 1.0731514925633194
Energy: 1.369282554477826
Energy: 1.0803889192172094
Energy: 1.0822577229450057
Energy: 1.0803889192179716
Energy: 1.3218411605405844
Energy: 1.0748692093106242
Energy: 1.2505752112956499
Energy: 1.074869209309862
Energy: 1.3203969704036964
Energy: 1.241878511339752
Energy: 1.3192669525190526
Energy: 1.241878511342801
Energy: 1.1406271597628368
Energy: 1.2049428001742901
Energy: 1.315033941164653
Energy: 1.2049428001727656
Energy: 1.1389425560986213
Energy: 1.056219149578767
Energy: 1.302923068560683
Energy: 1.0562191495802915
Energy: 1.138440914354995
Energy: 1.0787965734019236
Energy: 1.0957311679793313
Energy: 1.0787965734003988
Energy: 1.3002384126693234
Energy: 1.0548720685636332
Energy: 1.3067142322073395
Energy: 1.054872068565158
Energy: 1.3004886986861908
Energy: 1.2410474682878123
Energy: 1.1398715522512697
Energy: 1.2410474682878123
Energy: 1.301226642399507
Energy: 1.2617307895310044
Energy: 1.1930256248823248
Energy: 1.2617307895302423
Energy: 1.3286881379945639
Energy: 1.0848183777530613
Energy: 1.1427229489282393
Energy: 1.0848183777538236
Energy: 1.3330694738152236
Energy: 1.088894083005625
Energy: 1.0912636748109132
Energy: 1.0888940830034073
Energy: 1.3634901115636284
Energy: 1.1114090051279184
Energy: 1.0916030275296718
Energy: 1.1114090051263936
Energy: 1.3217139423993118
Energy: 1.0844823737901583
Energy: 1.0856455689855824
Energy: 1.0844823737886338
Energy: 1.3669643171762669
Energy: 1.2225567939311504
Energy: 1.3075652056914264
Energy: 1.222556793931913
Energy: 1.0721313468288032
Energy: 1.071001155343477
Energy: 1.3153917572900442
Energy: 1.0710011553427148
Energy: 1.071626881843909
Energy: 1.071443979418864
Energy: 1.3091180944642558
Energy: 1.0714439794165769
Energy: 1.0703727852623706
Energy: 1.0698259355531268
Energy: 1.3072648805222782
Energy: 1.0698259355546513
Energy: 1.133196869015643
Energy: 1.0620198106866152
Energy: 1.3222999856139308
Energy: 1.0620198106850907
Energy: 1.3174496858120015
Energy: 1.1151238756088422
Energy: 1.3044169410769713
Energy: 1.1151238756088422
Energy: 1.318344189371792
Energy: 1.0767739925040012
Energy: 1.0757708336491518
Energy: 1.0767739925024764
Energy: 1.3488280097999132
Energy: 1.0771991514544874
Energy: 1.0759719305196849
Energy: 1.0771991514537251
Energy: 1.20135370879281
Energy: 1.0815317398008713
Energy: 1.0833572801854927
Energy: 1.0815317398008713

minimum gb energy = 1.0548720685636332 eV
minimum distance =  2.29871604953159 Angstroms
sigma value = 1


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

Energy: 1.4767531093433288
Energy: 1.0026497032435304
Energy: 1.2133996184237605
Energy: 1.0349903898903252
Energy: 1.34923365058109
Energy: 1.0161687222328384
Energy: 1.2433228400866718
Energy: 1.0161687222328384
Energy: 1.2431238880160849
Energy: 1.1224016027386947
Energy: 1.241803196676843
Energy: 1.1224016027376411
Energy: 1.059269778043845
Energy: 1.3279415255857692
Energy: 1.2457426777561782
Energy: 1.3279415255857692
Energy: 1.2468189417230788
Energy: 1.0190267392741166
Energy: 1.4005433434581194
Energy: 1.0190267392730628
Energy: 1.0210682033788399
Energy: 1.0194522474398078
Energy: 1.4010526285939322
Energy: 1.019452247440862
Energy: 1.0316498489379566
Energy: 1.032484036311456
Energy: 1.3976992558782746
Energy: 1.032484036311456
Energy: 1.0168830540615108
Energy: 1.0169233776181918
Energy: 1.4495447077273615
Energy: 1.0169233776171378
Energy: 1.4000053162737054
Energy: 1.0754984418463736
Energy: 1.4535344078449335
Energy: 1.0754984418453195
Energy: 1.270126099900622
Energy: 1.0168803689280534
Energy: 1.0181937290178944
Energy: 1.0168803689291077
Energy: 1.39796385485558
Energy: 1.0331081657564865
Energy: 1.0313120728632088
Energy: 1.0331081657575405
Energy: 1.4567275088470917
Energy: 1.0184769328033823
Energy: 1.0192525662748626
Energy: 1.0184769328033823
Energy: 1.45252471721317
Energy: 1.0200608462490017
Energy: 1.2418354236839622
Energy: 1.0200608462479475
Energy: 1.3988765874578128
Energy: 1.0179467723003117
Energy: 1.2418783820029933
Energy: 1.017946772299258
Energy: 1.0333452240992762
Energy: 1.121461742246424
Energy: 1.2437387724596867
Energy: 1.121461742246424
Energy: 1.0318522613086702
Energy: 1.3113589235950993
Energy: 1.4023203754798108
Energy: 1.311358923596153
Energy: 1.035188826573743
Energy: 1.0326038440969847
Energy: 1.2457971355777886
Energy: 1.0326038440980385
Energy: 1.0166465315902453
Energy: 1.0169658338765848
Energy: 1.4026819416212222
Energy: 1.0169658338765848
Energy: 1.0314565932950979
Energy: 1.0322885259446137
Energy: 1.4515302091029858
Energy: 1.0322885259446137
Energy: 1.0208460513221143
Energy: 1.078294589086429
Energy: 1.4494897523803003
Energy: 1.078294589086429
Energy: 1.2473120336718038
Energy: 1.0356827574634802
Energy: 1.3981840316255252
Energy: 1.0356827574645344
Energy: 1.2493198541525496
Energy: 1.01708223163181
Energy: 1.0173592005565435
Energy: 1.0170822316328638
Energy: 1.3988387082812306
Energy: 1.019935000189322
Energy: 1.0189533043398122
Energy: 1.01993500019143
Energy: 1.452258219366558
Energy: 1.0209086494400554
Energy: 1.0198433037346064
Energy: 1.0209086494411095

minimum gb energy = 1.0026497032435304 eV
minimum distance =  2.2889355264128 Angstroms
sigma value = 17


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

Energy: 1.559345691599462
Energy: 0.9999825511296346
Energy: 1.2342488253232495
Energy: 1.0222211827051553
Energy: 1.2317219435801126
Energy: 1.0103243174318939
Energy: 1.155287723188251
Energy: 1.0103243174318939
Energy: 1.2844445430355635
Energy: 1.2386560422428496
Energy: 1.1634644196435076
Energy: 1.2386560422435011
Energy: 1.2928999115906952
Energy: 1.0650685199913528
Energy: 1.1624998295058517
Energy: 1.0650685199893983
Energy: 1.283197969178047
Energy: 0.9963562461253233
Energy: 1.4208557276698137
Energy: 0.9963562461240203
Energy: 0.9971955531333433
Energy: 0.9971794017710045
Energy: 1.5108404966193696
Energy: 0.9971794017723076
Energy: 0.9962825972232512
Energy: 0.9966723915198024
Energy: 1.3493580291203322
Energy: 0.9966723915191508
Energy: 0.9978542838253143
Energy: 0.9971784473851616
Energy: 1.5523949475163288
Energy: 0.9971784473871159
Energy: 1.4117896385617255
Energy: 0.9973913432136757
Energy: 1.4739707594066698
Energy: 0.9973913432136757
Energy: 1.1699813360852558
Energy: 1.060876578105127
Energy: 1.1585600920139663
Energy: 1.0608765781057785
Energy: 1.4118431196926111
Energy: 1.0197069848714009
Energy: 1.0380247965404408
Energy: 1.0197069848714009
Energy: 1.5098261548991552
Energy: 1.0126232459907567
Energy: 1.1594145744865239
Energy: 1.0126232459914082
Energy: 1.5154021875748889
Energy: 1.0193017916486586
Energy: 1.0212162884841645
Energy: 1.0193017916486586
Energy: 1.3891482315735528
Energy: 1.018238963763959
Energy: 1.0160636406391284
Energy: 1.018238963765262
Energy: 1.290689555528983
Energy: 1.0141335552659205
Energy: 1.0108280500966749
Energy: 1.014133555267875
Energy: 1.5452856789095577
Energy: 1.018511422281204
Energy: 1.5031766916614604
Energy: 1.0185114222792493
Energy: 1.0146322129118523
Energy: 1.0111951404492134
Energy: 1.4237734682409746
Energy: 1.0111951404466075
Energy: 1.0189339964039692
Energy: 1.0196563802681722
Energy: 1.5062359191933012
Energy: 1.0196563802668692
Energy: 1.0102777357734467
Energy: 1.0104765653866588
Energy: 1.4722072007679516
Energy: 1.0104765653853558
Energy: 1.1600291738283437
Energy: 1.0202923171577962
Energy: 1.5545595583919252
Energy: 1.0202923171584477
Energy: 1.156571147312729
Energy: 1.011403912252055
Energy: 1.2544065035976657
Energy: 1.0114039122501006
Energy: 1.158640731394895
Energy: 1.239482892991086
Energy: 1.2863617183028258
Energy: 1.2394828929904342
Energy: 1.1659984321837342
Energy: 1.0646481197591586
Energy: 1.2904694938981636
Energy: 1.0646481197578557
Energy: 1.4227721474826256
Energy: 0.9962693644156636
Energy: 1.1470488460207884
Energy: 0.9962693644156636
Energy: 1.5087800655445995
Energy: 0.9972161674964118
Energy: 0.9979872271486329
Energy: 0.9972161674964118
Energy: 1.3494738352280216
Energy: 0.9961054125135997
Energy: 0.9955163094889926
Energy: 0.9961054125149027
Energy: 1.555292110133515
Energy: 0.9978804197613285
Energy: 0.9993991253717054
Energy: 0.9978804197600255
Energy: 1.4701460634904324
Energy: 0.9967642891658495
Energy: 1.4131633615022778
Energy: 0.9967642891684554
Energy: 1.1572632918651187
Energy: 1.0595093713466897
Energy: 1.1682676630784412
Energy: 1.0595093713473411
Energy: 1.0372728084835203
Energy: 1.0204267471546966
Energy: 1.4132806759779215
Energy: 1.020426747156651
Energy: 1.1625409772949498
Energy: 1.0179170013328185
Energy: 1.5113020007651434
Energy: 1.017917001332167
Energy: 1.0197456504478504
Energy: 1.020269674174874
Energy: 1.5130242119161064
Energy: 1.020269674174874
Energy: 1.0186104260860531
Energy: 1.019275361423723
Energy: 1.389330795120515
Energy: 1.019275361425026
Energy: 1.0114027859156483
Energy: 1.0107188940720275
Energy: 1.2938029698399316
Energy: 1.0107188940720275
Energy: 1.5048670118070182
Energy: 1.019916758268038
Energy: 1.5424230913109322
Energy: 1.019916758265432
Energy: 1.4257935182936168
Energy: 1.0116217966441743
Energy: 1.012914574354913
Energy: 1.0116217966435228
Energy: 1.5039424051915191
Energy: 1.0195902950606852
Energy: 1.0186575233462012
Energy: 1.0195902950606852
Energy: 1.475690007681278
Energy: 1.0105690316985638
Energy: 1.0115528699918905
Energy: 1.0105690316985638

minimum gb energy = 0.9955163094889926 eV
minimum distance =  2.29975752509184 Angstroms
sigma value = 89


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

Energy: 2.0294378596543066
Energy: 0.91157018567543
Energy: 0.9088848468345582
Energy: 0.9074301607513598
Energy: 1.5939264418261363
Energy: 0.9861491161967338
Energy: 0.9121970939090578
Energy: 0.9861491161967338
Energy: 0.9074009133052594
Energy: 0.9862142328054059
Energy: 0.9164336366170359
Energy: 0.9862142328054059
Energy: 0.9043552625531841
Energy: 0.9867366207238194
Energy: 0.9101987491166675
Energy: 0.9867366207221148
Energy: 0.90769822692414
Energy: 0.9056546047523814
Energy: 1.2612671872649686
Energy: 0.9056546047523814
Energy: 0.9049086322121775
Energy: 0.9056964176371359
Energy: 1.2604056149515823
Energy: 0.9056964176371359
Energy: 0.9043177314296217
Energy: 0.9056656393654016
Energy: 0.9105778669936772
Energy: 0.9056656393654016
Energy: 0.9070707192855748
Energy: 0.9059637520769023
Energy: 1.5912047451275637
Energy: 0.9059637520751976
Energy: 0.9124041480610237
Energy: 0.9056214703377004
Energy: 1.5954329275608308
Energy: 0.905621470339405
Energy: 1.2563134058432532
Energy: 0.9872247217887502
Energy: 0.908906115962378
Energy: 0.9872247217887502
Energy: 0.9124747750194021
Energy: 0.9881444865690133
Energy: 0.9046071538254755
Energy: 0.9881444865690133
Energy: 1.2588479300441917
Energy: 0.9055746430270178
Energy: 0.908007245695045
Energy: 0.9055746430270178
Energy: 1.2618784209907024
Energy: 0.9054290018812312
Energy: 0.9063355400457603
Energy: 0.9054290018812312
Energy: 0.9098051185795603
Energy: 0.9052139733540466
Energy: 0.9048004949866625
Energy: 0.9052139733540466
Energy: 1.5911249145082687
Energy: 0.9062729802780058
Energy: 0.9058962466744616
Energy: 0.9062729802763012

minimum gb energy = 0.9043177314296217 eV
minimum distance =  2.29086507208013 Angstroms
sigma value = 13


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

Energy: 1.4806403670372397
Energy: 0.8312654618526759
Energy: 1.1069417203100247
Energy: 0.8407270811579848
Energy: 1.4660288598662385
Energy: 0.8386196442719145
Energy: 1.0120506972766454
Energy: 0.8386196442726289
Energy: 1.4663293819175969
Energy: 0.8369390939271133
Energy: 1.0072489624992027
Energy: 0.8369390939285423
Energy: 1.1894163781831544
Energy: 0.8391645530011399
Energy: 1.16470963814942
Energy: 0.839164553002569
Energy: 1.1659878473239995
Energy: 0.837498561360819
Energy: 1.3200666647622923
Energy: 0.8374985613636767
Energy: 1.0084184989694507
Energy: 0.8381842422983732
Energy: 1.3183558130585633
Energy: 0.83818424230266
Energy: 1.0085831066894277
Energy: 0.8369833768444731
Energy: 1.1626102324348704
Energy: 0.8369833768387575
Energy: 1.0100830000264593
Energy: 0.8373360913357271
Energy: 1.621305576980166
Energy: 0.8373360913364414
Energy: 0.8363662939654006
Energy: 0.8418722019910314
Energy: 1.4501608734632412
Energy: 0.8418722019924603
Energy: 0.8354328379476053
Energy: 0.8364403246781739
Energy: 1.3227455484979167
Energy: 0.8364403246781739
Energy: 0.838060371692093
Energy: 0.8418179854068001
Energy: 1.4795336891103779
Energy: 0.8418179854060855
Energy: 1.318123165547252
Energy: 0.8836924007771868
Energy: 1.322449690650109
Energy: 0.8836924007764725
Energy: 1.3216597272333412
Energy: 0.8810592845008018
Energy: 1.3164126547694595
Energy: 0.8810592845000873
Energy: 1.3226280423194259
Energy: 0.8849970326008103
Energy: 1.1872255313925433
Energy: 0.8849970326015247
Energy: 1.6167879921520507
Energy: 0.8397341636871102
Energy: 1.1637408064304042
Energy: 0.8397341636871102
Energy: 1.6141766421632973
Energy: 0.8375061048823718
Energy: 0.8422651235636253
Energy: 0.8375061048888018
Energy: 1.4408943612984644
Energy: 0.8365578249056445
Energy: 0.8410053344103323
Energy: 0.8365578249049299
Energy: 1.4766729654247337
Energy: 0.8396769195225415
Energy: 0.8376982477967773
Energy: 0.8396769195246848
Energy: 1.7549062872818493
Energy: 0.8414230183269772
Energy: 1.0049442906055408
Energy: 0.8414230183269772
Energy: 1.3236236174447205
Energy: 0.8363676963059955
Energy: 1.0157008125552371
Energy: 0.8363676963059955
Energy: 1.1939060897726588
Energy: 0.8381048636434103
Energy: 1.0071497693065707
Energy: 0.8381048636448393
Energy: 1.3251930252725912
Energy: 0.8358571681468397
Energy: 1.3184488621358736
Energy: 0.835857168142553
Energy: 1.0112441115445254
Energy: 0.8399330610685191
Energy: 1.320544274214584
Energy: 0.8399330610670901
Energy: 0.8424487366099077
Energy: 0.8362308493433714
Energy: 1.1645075053084182
Energy: 0.8362308493448004
Energy: 1.0081533090214279
Energy: 0.8372680236410479
Energy: 1.6179677915199995
Energy: 0.8372680236424768
Energy: 0.8364009422244217
Energy: 0.8360643392594399
Energy: 1.615861794983491
Energy: 0.8360643392651554
Energy: 0.8358676905810817
Energy: 0.8355730581706681
Energy: 1.3220401203530843
Energy: 0.8355730581749549
Energy: 0.8435399111415639
Energy: 0.8398933275993815
Energy: 1.4768002077548381
Energy: 0.8398933276015251
Energy: 1.316271924874996
Energy: 0.8362410008467722
Energy: 1.181844571538218
Energy: 0.8362410008467722
Energy: 1.0175351965991906
Energy: 0.8840409183718284
Energy: 1.3170837355684968
Energy: 0.8840409183696851
Energy: 1.3184868446367008
Energy: 0.8874575516339431
Energy: 1.1915566288840491
Energy: 0.8874575516310853
Energy: 1.613758636816133
Energy: 0.8372062388994167
Energy: 1.1637235130737813
Energy: 0.8372062388944156
Energy: 1.6176494963529022
Energy: 0.8399844271091536
Energy: 0.8384639925341908
Energy: 0.8399844271055814
Energy: 1.4425808602176498
Energy: 0.8355907889807255
Energy: 0.8353581646202829
Energy: 0.8355907889800112
Energy: 1.7598627752576
Energy: 0.8374068134911128
Energy: 0.8387792066967342
Energy: 0.8374068134918273

minimum gb energy = 0.8312654618526759 eV
minimum distance =  2.29156374626857 Angstroms
sigma value = 37


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

Energy: 1.3217385615339245
Energy: 0.7424729682867985
Energy: 0.7313691800425293
Energy: 0.7286260281335557
Energy: 1.3107601997449454
Energy: 0.7270535146981024
Energy: 1.019048891385709
Energy: 0.7270535146981024
Energy: 1.3075655695387507
Energy: 0.7265905618917103
Energy: 1.0206672713402207
Energy: 0.7265905618917103
Energy: 1.3071829558431156
Energy: 0.8160563805651756
Energy: 1.020452559760643
Energy: 0.8160563805664048
Energy: 1.313359902610258
Energy: 0.8156614833794422
Energy: 1.0260581772070598
Energy: 0.8156614833794422
Energy: 0.8879120476525174
Energy: 0.7292893921478816
Energy: 1.2757967019747933
Energy: 0.7292893921478816
Energy: 0.7306911459345323
Energy: 0.7262177602682894
Energy: 1.3128708941330987
Energy: 0.7262177602682894
Energy: 0.7316935423520645
Energy: 0.7310341327169372
Energy: 1.5607553176907318
Energy: 0.7310341327169372
Energy: 0.7263567560530308
Energy: 0.7289113809730638
Energy: 1.561727115314846
Energy: 0.7289113809730638
Energy: 0.7259899929043581
Energy: 0.727958336796724
Energy: 1.3062219136320132
Energy: 0.727958336796724
Energy: 0.7313691873899264
Energy: 0.7286260238787071
Energy: 1.3217385615351536
Energy: 0.7424729682867985
Energy: 1.019048891385709
Energy: 0.7270535146993317
Energy: 1.443806589236908
Energy: 0.7270535146993317
Energy: 1.0206672713402207
Energy: 0.7265905618917103
Energy: 1.3075655695387507
Energy: 0.7265905618917103
Energy: 1.0204525597618723
Energy: 0.8160563805664048
Energy: 1.3071829558431156
Energy: 0.8160563805651756
Energy: 1.0260581772070598
Energy: 0.8156614833794422
Energy: 1.3133599026090288
Energy: 0.8156614833794422
Energy: 1.185875230342456
Energy: 0.7292893921491107
Energy: 0.7327840620014431
Energy: 0.7292893921478816
Energy: 1.3128708941330987
Energy: 0.7262177602682894
Energy: 0.7306911459345323
Energy: 0.7262177602670602
Energy: 1.5607553176796687
Energy: 0.7310341327169372
Energy: 0.7316935423520645
Energy: 0.7310341327169372
Energy: 1.561727115316075
Energy: 0.7289113809730638
Energy: 0.7263567560530308
Energy: 0.7289113809730638
Energy: 1.3107575047411946
Energy: 0.727958336796724
Energy: 0.7259899929043581
Energy: 0.7279583367979532

minimum gb energy = 0.7259899929043581 eV
minimum distance =  2.29523178882323 Angstroms
sigma value = 25


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

Energy: 1.5362172487846328
Energy: 0.6466822349871841
Energy: 0.9290162059126086
Energy: 0.6378030071203189
Energy: 1.5332297367992225
Energy: 0.6347671190197343
Energy: 0.8737566579996451
Energy: 0.6347671190197343
Energy: 1.5244210388681572
Energy: 0.6344571365865744
Energy: 0.8746990194155432
Energy: 0.6344571365846546
Energy: 1.1173452096075651
Energy: 0.6365557892957276
Energy: 1.1183432056037153
Energy: 0.6365557892947679
Energy: 1.5295786056112417
Energy: 0.9442778300473691
Energy: 1.320327876007044
Energy: 0.9442778300483289
Energy: 1.1102566451661668
Energy: 0.699935855999994
Energy: 1.3184985833484586
Energy: 0.6999358560009538
Energy: 1.1129956440572732
Energy: 0.9438912868513775
Energy: 1.5302820244581705
Energy: 0.9438912868523371
Energy: 1.1161085751774218
Energy: 0.6377540445124525
Energy: 1.3243855173224253
Energy: 0.6377540445143721
Energy: 0.8747316506996482
Energy: 0.6342286971469613
Energy: 1.7308454672867348
Energy: 0.6342286971460013
Energy: 0.8754495568147367
Energy: 0.6347701164818659
Energy: 1.5318388084409658
Energy: 0.6347701164809061
Energy: 0.6396461459319023
Energy: 0.6377172824002721
Energy: 1.3281725464809915
Energy: 0.6377172823993124
Energy: 0.6354464170932819
Energy: 0.6353175975091891
Energy: 1.5316608470333273
Energy: 0.6353175975091891
Energy: 0.6347214125385491
Energy: 0.6366098465894683
Energy: 1.5260212970598401
Energy: 0.6366098465894683
Energy: 0.8782539911757059
Energy: 0.6392058688372433
Energy: 1.5333818432429245
Energy: 0.6392058688382031
Energy: 0.8746218840535693
Energy: 0.634065906407284
Energy: 1.5299164230005748
Energy: 0.6340659064082437
Energy: 0.8760308931635062
Energy: 0.6350928773180656
Energy: 1.5275107729991861
Energy: 0.6350928773171056
Energy: 1.3201181928169006
Energy: 0.6365119738896826
Energy: 1.5299521231584177
Energy: 0.6365119738896826
Energy: 0.8776801832186634
Energy: 0.7021242023640104
Energy: 1.3235277831405805
Energy: 0.7021242023640104
Energy: 1.3173125249078248
Energy: 0.701060591322287
Energy: 1.1128028423680356
Energy: 0.7010605913203672
Energy: 1.5321338735795824
Energy: 0.9436209103483559
Energy: 1.1112424057984935
Energy: 0.9436209103483559
Energy: 1.3263254244127072
Energy: 0.6382509451717775
Energy: 0.8773730038140071
Energy: 0.6382509451727375
Energy: 1.5309293058327713
Energy: 0.6337401390165078
Energy: 0.6357270233999182
Energy: 0.6337401390174676
Energy: 1.7308167162661152
Energy: 0.6357886202738819
Energy: 0.8740689604924547
Energy: 0.6357886202738819
Energy: 1.3269782910100199
Energy: 0.6389820443051496
Energy: 0.6381186569792209
Energy: 0.6389820443041897
Energy: 1.5298726173163744
Energy: 0.6344263835174899
Energy: 0.6338761610024294
Energy: 0.6344263835184498
Energy: 1.528344032333008
Energy: 0.6355769206386954
Energy: 0.636908422847713
Energy: 0.6355769206386954

minimum gb energy = 0.6337401390165078 eV
minimum distance =  2.30269945430607 Angstroms
sigma value = 41


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

Energy: 1.677592631008875
Energy: 0.5797897101391659
Energy: 0.8841888856668885
Energy: 0.5792845304645878
Energy: 1.6749651262864844
Energy: 0.5716541268043979
Energy: 0.7700011949380011
Energy: 0.5716541268059718
Energy: 1.666299029554708
Energy: 0.5702313612960702
Energy: 0.7724822901704834
Energy: 0.5702313612952833
Energy: 1.3230436628638826
Energy: 0.5737884704836935
Energy: 1.1484940192599988
Energy: 0.5737884704302546
Energy: 1.6695272518705402
Energy: 0.5685868138480576
Energy: 1.1457904390367828
Energy: 0.5685868138472707
Energy: 1.3156965309391049
Energy: 0.624369078313385
Energy: 1.1428380341178546
Energy: 0.624369078312598
Energy: 1.3196967997356168
Energy: 0.6245665257446739
Energy: 1.4918167490991534
Energy: 0.624566525743887
Energy: 1.3204154408522706
Energy: 0.6271645720956245
Energy: 1.1486727256166112
Energy: 0.6271645720940507
Energy: 0.9713598283985342
Energy: 0.5692167465563723
Energy: 1.4903427798791715
Energy: 0.5692167465579461
Energy: 0.9703602062994274
Energy: 0.5689420122555241
Energy: 1.6712093422423797
Energy: 0.5689420122531633
Energy: 0.7763650697800443
Energy: 0.5762359432035031
Energy: 1.5010817037574793
Energy: 0.5762359432042902
Energy: 0.7723895719033695
Energy: 0.5690781736416226
Energy: 1.6715608967688107
Energy: 0.5690781736439834
Energy: 0.7713009148867999
Energy: 0.5728421435363915
Energy: 1.840238814450576
Energy: 0.5728421435363915
Energy: 0.5751637833782483
Energy: 0.575985190279494
Energy: 1.4989181154684765
Energy: 0.575985190279494
Energy: 0.5699400358292079
Energy: 0.5693041292421973
Energy: 1.669595632040116
Energy: 0.5693041292414102
Energy: 0.5745234727289056
Energy: 0.5715896613055381
Energy: 1.6702380640494516
Energy: 0.5715896613055381
Energy: 0.7767789735095298
Energy: 0.5725038831103898
Energy: 1.6730401967266606
Energy: 0.5725038831111767
Energy: 0.7739523125506033
Energy: 0.5700901055470552
Energy: 1.668959418581999
Energy: 0.5700901055462684
Energy: 0.7722514727337624
Energy: 0.5717896610852378
Energy: 1.3199755021007749
Energy: 0.5717896610860246
Energy: 1.1441782525578326
Energy: 0.5702462945616175
Energy: 1.317848229979146
Energy: 0.5702462945631913
Energy: 1.1486002310695491
Energy: 0.5692138179581269
Energy: 1.491508951206135
Energy: 0.5692138179518317
Energy: 1.1445061810193933
Energy: 0.627383035080973
Energy: 1.3205013960058058
Energy: 0.62738303508176
Energy: 1.4904276277137516
Energy: 0.623081725105288
Energy: 1.3145506449204136
Energy: 0.6230817251029273
Energy: 1.1479926233733884
Energy: 0.628984650956347
Energy: 1.1443463507209177
Energy: 0.6289846509555601
Energy: 1.4926208035330157
Energy: 0.5691797998908986
Energy: 0.976045642486429
Energy: 0.5691797998893249
Energy: 1.4935078929211791
Energy: 0.5700272511862284
Energy: 1.1433515259679334
Energy: 0.5700272511870154
Energy: 1.4959269048349861
Energy: 0.5721227437694297
Energy: 0.776322371837652
Energy: 0.5721227437702168
Energy: 1.6691725802749517
Energy: 0.569717809740584
Energy: 0.7733851916504174
Energy: 0.569717809740584
Energy: 1.4961761064967019
Energy: 0.573794826152785
Energy: 0.7758612278739371
Energy: 0.5737948261535719
Energy: 1.4951339203421257
Energy: 0.5716201954596858
Energy: 0.5747509493792686
Energy: 0.571620195458899
Energy: 1.6697797344035281
Energy: 0.5692774286585066
Energy: 0.5701505295730593
Energy: 0.5692774286585066
Energy: 1.6752903146622034
Energy: 0.5753445768475951
Energy: 0.5767415011533765
Energy: 0.5753445768475951

minimum gb energy = 0.5685868138472707 eV
minimum distance =  2.30486072325457 Angstroms
sigma value = 15


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

Energy: 1.4728794092699116
Energy: 0.5301674701701566
Energy: 0.849054980024206
Energy: 0.5320077525510502
Energy: 1.7727367036689285
Energy: 0.523078163359548
Energy: 0.6932559382907222
Energy: 0.5230781633602147
Energy: 1.765437090177945
Energy: 0.5227567295944664
Energy: 0.6965342465122315
Energy: 0.5227567295944664
Energy: 1.4711629295908009
Energy: 0.5259849192771303
Energy: 1.0208877498485085
Energy: 0.5259849192777969
Energy: 1.7684184900583237
Energy: 0.5196429921650142
Energy: 1.015458314787586
Energy: 0.5196429921663476
Energy: 1.4626837094531024
Energy: 0.5209958863775616
Energy: 1.0128302044227138
Energy: 0.520995886382228
Energy: 1.1645917812116349
Energy: 0.7852075900211669
Energy: 1.312811675539587
Energy: 0.7852075900225002
Energy: 1.4668292062923836
Energy: 0.5735315995048773
Energy: 1.0185895862637566
Energy: 0.5735315995062107
Energy: 1.1620144838077717
Energy: 0.5698800733257733
Energy: 1.3103220812955945
Energy: 0.5698800733277731
Energy: 1.160451171844114
Energy: 0.7829671982563576
Energy: 1.6122915694330457
Energy: 0.7829671982496914
Energy: 1.0205215359440287
Energy: 0.5263950833356923
Energy: 1.320432797773488
Energy: 0.5263950833356923
Energy: 0.8685325128568385
Energy: 0.5200621803191564
Energy: 1.612959811145615
Energy: 0.5200621803164898
Energy: 1.015782349329364
Energy: 0.5208317524412612
Energy: 1.6135637469577573
Energy: 0.5208317524432612
Energy: 0.6984326244605586
Energy: 0.5259997614353724
Energy: 1.3184458942217017
Energy: 0.5259997614360391
Energy: 0.6962693880954909
Energy: 0.5214299132416413
Energy: 1.7685064092685299
Energy: 0.5214299132396414
Energy: 0.696319438451539
Energy: 0.5234408567485889
Energy: 1.6173546913149233
Energy: 0.5234408567485889
Energy: 0.5263933870085988
Energy: 0.5242851807105147
Energy: 1.6197340719865503
Energy: 0.5242851807111812
Energy: 0.5209147069697462
Energy: 0.5211979684007244
Energy: 1.767730630010234
Energy: 0.5211979684000578
Energy: 0.5285518837302352
Energy: 0.5241006013380154
Energy: 1.468266311937311
Energy: 0.524100601338682
Energy: 0.6968740374629782
Energy: 0.5243831789944549
Energy: 1.7700766507772607
Energy: 0.5243831789944549
Energy: 0.6967745548393415
Energy: 0.5216646485804224
Energy: 1.7682930074756782
Energy: 0.5216646485790891
Energy: 0.6986913845763856
Energy: 0.5260742943484621
Energy: 1.4687607675595167
Energy: 0.5260742943477955
Energy: 1.0131906385888299
Energy: 0.5209940536035441
Energy: 1.461937003493007
Energy: 0.5209940536028775
Energy: 1.017640316353705
Energy: 0.5200949423847834
Energy: 1.6146512472244228
Energy: 0.5200949423788443
Energy: 1.0190407958215382
Energy: 0.5235360960044129
Energy: 1.1692639134133882
Energy: 0.5235360960017463
Energy: 1.311999775819746
Energy: 0.7833056706444947
Energy: 1.6153813342302397
Energy: 0.7833056706431615
Energy: 1.0151859553768132
Energy: 0.5691351444083075
Energy: 1.3128410981446084
Energy: 0.5691351444016411
Energy: 1.316554992943103
Energy: 0.5727033303658272
Energy: 1.1677175343421944
Energy: 0.572703330347828
Energy: 1.3155864948572458
Energy: 0.7847906737423785
Energy: 1.31339490421437
Energy: 0.7847906737443785
Energy: 1.3124457288688267
Energy: 0.5209171868617956
Energy: 1.0143482535713104
Energy: 0.5209171868624622
Energy: 1.6210998664206682
Energy: 0.5197881989919435
Energy: 0.8691981526559224
Energy: 0.5197881989939435
Energy: 1.3180275325472404
Energy: 0.5254434947032829
Energy: 1.0200949057482258
Energy: 0.5254434947006164
Energy: 1.613770308859938
Energy: 0.5214089489204004
Energy: 0.6972270355417279
Energy: 0.521408948915734
Energy: 1.7703418739066226
Energy: 0.5222576402885601
Energy: 0.6957542504582482
Energy: 0.5222576402865603
Energy: 1.6252375198281916
Energy: 0.5297805441926969
Energy: 0.7029997376042527
Energy: 0.5297805441926969
Energy: 1.7706403493748772
Energy: 0.5233522386674211
Energy: 0.5236863685215382
Energy: 0.5233522386687544
Energy: 1.7643650374242226
Energy: 0.5229539513673547
Energy: 0.5224524561046834
Energy: 0.5229539513673547

minimum gb energy = 0.5196429921650142 eV
minimum distance =  2.30317786129017 Angstroms
sigma value = 85


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

Energy: 1.63573136955991
Energy: 0.4491565861146818
Energy: 0.4474156663202369
Energy: 0.4468031962653746
Energy: 1.8172076880457937
Energy: 0.44744112892538
Energy: 0.6053614258651729
Energy: 0.44744112892538
Energy: 1.622221990656003
Energy: 0.4461962300052523
Energy: 0.6050885500768532
Energy: 0.4461962300052523
Energy: 1.349795138305079
Energy: 0.45045860251229536
Energy: 0.8977644820235745
Energy: 0.45045860251056086
Energy: 1.688153661823826
Energy: 0.44658569457819713
Energy: 0.894866017089282
Energy: 0.446585694564321
Energy: 1.355531630642974
Energy: 0.44738364016085874
Energy: 0.893293258569499
Energy: 0.4473836441738907
Energy: 1.3592620662582746
Energy: 0.4476974340452755
Energy: 1.1608003300900547
Energy: 0.44769743415102825
Energy: 1.4273157997244745
Energy: 0.44687438318301803
Energy: 0.9577520658913516
Energy: 0.4468743963808475
Energy: 1.3592173643751626
Energy: 0.7064533716164734
Energy: 1.157991396176887
Energy: 0.7064533716158952
Energy: 1.3589727928362438
Energy: 0.9141471738904585
Energy: 1.4227000517295547
Energy: 0.9141471738904585
Energy: 1.1621363682822932
Energy: 0.44461416204562
Energy: 1.2292690991193462
Energy: 0.444613937896942
Energy: 1.0939805672277838
Energy: 0.4451749788956785
Energy: 1.4226428461944516
Energy: 0.4451749789020384
Energy: 1.159393408715738
Energy: 0.44528363787951913
Energy: 1.489438830193558
Energy: 0.4452836378806755
Energy: 0.8971343850261917
Energy: 0.4464544343981665
Energy: 1.220136976267656
Energy: 0.4464544343987447
Energy: 0.8283944650448739
Energy: 0.44458444962604704
Energy: 1.6827674719670596
Energy: 0.44458444962720345
Energy: 0.8956723529230274
Energy: 0.4463597645981533
Energy: 1.4897840159894966
Energy: 0.4463597643166891
Energy: 0.5945893690722304
Energy: 0.4468056583419278
Energy: 1.491784086158694
Energy: 0.4468056583407715
Energy: 0.5971204533664463
Energy: 0.44548390644211283
Energy: 1.749857037182003
Energy: 0.445483906442691
Energy: 0.5948845263672569
Energy: 0.4442092424376876
Energy: 1.7596987926080516
Energy: 0.4442092424376876
Energy: 0.5244022123137554
Energy: 0.44418376371279683
Energy: 1.7586909662027843
Energy: 0.44418376371279683
Energy: 0.5243259876689961
Energy: 0.44295482857197105
Energy: 1.8133712972957172
Energy: 0.44295482857139284
Energy: 0.5225096793147354
Energy: 0.4437646523147196
Energy: 1.5603479382499823
Energy: 0.4437646523147196
Energy: 0.6813112930297639
Energy: 0.44482264572004204
Energy: 1.8186364401174135
Energy: 0.44482264572062025
Energy: 0.6855602080092624
Energy: 0.4443272529682276
Energy: 1.8101675871811755
Energy: 0.4443272529705403
Energy: 0.6804921076811137
Energy: 0.44836164194162637
Energy: 1.3496374620001372
Energy: 0.44836164194220446
Energy: 0.8858709345481166
Energy: 0.44465982288753836
Energy: 1.8162041677368497
Energy: 0.44465982288811656
Energy: 0.8863643777564463
Energy: 0.44479645852254945
Energy: 1.6190421728717526
Energy: 0.44479645852254945
Energy: 1.164485162799924
Energy: 0.4471055726121934
Energy: 1.353808982521671
Energy: 0.44710557294853126
Energy: 1.1632155146954
Energy: 0.44449822578457193
Energy: 1.620836703496711
Energy: 0.4444982256886218
Energy: 1.1610753384345676
Energy: 0.44443552888968807
Energy: 1.356143083414669
Energy: 0.4444355245790294
Energy: 1.4255767915903081
Energy: 0.7124297556444759
Energy: 1.0874888610531674
Energy: 0.7124297555693401
Energy: 1.2257099777128075
Energy: 0.6392324379157571
Energy: 1.3630109621499966
Energy: 0.639232437922117
Energy: 1.4243118502754955
Energy: 0.7011769180676128
Energy: 1.090221867366862
Energy: 0.7011769180676128
Energy: 1.6836735217191143
Energy: 0.4472794996551105
Energy: 1.0914246421086815
Energy: 0.4472794996539542
Energy: 1.216739753744537
Energy: 0.4492674644872673
Energy: 1.1007580339989405
Energy: 0.44926746448379834
Energy: 1.6839977670054604
Energy: 0.4464856568192686
Energy: 0.8946514580299636
Energy: 0.4464856568192686
Energy: 1.7513646842564217
Energy: 0.44711038030690087
Energy: 0.8932984250495827
Energy: 0.4471103803080573
Energy: 1.4875202568869992
Energy: 0.44632783990893327
Energy: 0.6045506019550879
Energy: 0.44632783990951147
Energy: 1.8126672859628816
Energy: 0.44616047043076823
Energy: 0.6041196575273976
Energy: 0.44616047043076823
Energy: 1.7569704987247832
Energy: 0.4482586827169204
Energy: 0.6051076975736267
Energy: 0.4482586827174986
Energy: 1.4883423254652735
Energy: 0.44733745353311616
Energy: 0.44646978301083035
Energy: 0.44733745353311616
Energy: 1.8117931778155942
Energy: 0.4455138893966249
Energy: 0.447017765363081
Energy: 0.44551388939720304
Energy: 1.624940311299304
Energy: 0.44915339023706624
Energy: 0.4507133244141149
Energy: 0.4491533902364881

minimum gb energy = 0.44295482857139284 eV
minimum distance =  2.29487136352392 Angstroms
sigma value = 113


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

Energy: 0.018552585549356567
Energy: 0.019114599295163404
Energy: 1.4304303168671366
Energy: 0.4579891573113114
Energy: 0.01916861585378967
Energy: 0.10844565423956479
Energy: 1.0786090486175546
Energy: 0.10844565423872522
Energy: 0.01943057737180028
Energy: 0.11059719557660752
Energy: 1.0766133784859402
Energy: 0.11059719557616306
Energy: 0.020311019290834974
Energy: 0.11219612309783271
Energy: 1.0812257997596895
Energy: 0.11219612309783271
Energy: 1.0781825302988397
Energy: 0.11050254700665868
Energy: 1.08043686592288
Energy: 0.11050254700621422
Energy: 0.02624100122984552
Energy: 0.10800942744327141
Energy: 1.076946114799749
Energy: 0.10800942744327141

minimum gb energy = 0.018552585549356567 eV
minimum distance =  2.51702490157297 Angstroms
sigma value = 1