Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312466621399
cohesive_energy=4.013297947344727
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -8.800355706403499e-17, -1.66046381994492e-16, -3.0192698232403196e-16]
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: 0.01240587163554935
Energy: 0.012635443279107298
Energy: 1.6627985344761504
Energy: 0.9400979520692699
Energy: 0.012635443279107298
Energy: 0.21446847047594572
Energy: 0.9395661169650871
Energy: 0.21446847047594572
Energy: 1.6627985344751732
Energy: 0.9395661169650871
Energy: 1.26756987351273
Energy: 0.9395661169650871
Energy: 0.9400979520692699
Energy: 0.21446847047594572
Energy: 0.9395661169650871
Energy: 0.2144684704739629

minimum gb energy = 0.01240587163554935 eV
minimum distance =  2.43119759235207 Angstroms
sigma value = 1


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

Energy: 2.001520154495122
Energy: 1.0146574825023278
Energy: 0.8984219497688859
Energy: 0.8975165293683645
Energy: 1.7512373154600918
Energy: 0.9657209214949452
Energy: 0.9690564033129868
Energy: 0.9657209214949452
Energy: 1.7824349580795735
Energy: 0.8995628164430791
Energy: 0.8995846718265319
Energy: 0.89956281644186
Energy: 1.7746997746764384
Energy: 0.9258554294468727
Energy: 0.8988117231341853
Energy: 0.9258554294468727
Energy: 1.8504480571256225
Energy: 0.8979836527932306
Energy: 1.2947973715374412
Energy: 0.8979836527932306
Energy: 1.776124035432691
Energy: 0.926022742617969
Energy: 1.2115799573397659
Energy: 0.926022742617969
Energy: 1.6971685022162715
Energy: 0.8990504351908052
Energy: 1.2277863885791998
Energy: 0.8990504351895858
Energy: 1.5197134208054448
Energy: 0.8977701213503763
Energy: 1.191416223223278
Energy: 0.8977701213467185
Energy: 1.454586240344289
Energy: 0.8972624235411217
Energy: 1.190180309983611
Energy: 0.8972624235387386
Energy: 1.5291205565230175
Energy: 0.9634764354492952
Energy: 1.526024296507044
Energy: 0.9634764354492952
Energy: 1.515418522114958
Energy: 0.8976221581041411
Energy: 1.4379595852086113
Energy: 0.8976221581102377
Energy: 1.1939612590051336
Energy: 0.8977283093456631
Energy: 1.525856050368445
Energy: 0.8977283093468822
Energy: 1.2592068373366563
Energy: 0.9005920950406435
Energy: 1.5185306419373512
Energy: 0.9005920950418627
Energy: 1.2166504272062917
Energy: 0.9256238950792459
Energy: 1.776696640013931
Energy: 0.9256238950780266
Energy: 1.2212680599408456
Energy: 0.8980413712986377
Energy: 1.5917327567389765
Energy: 0.8980413712986377
Energy: 0.897632689179222
Energy: 0.9257526210503771
Energy: 1.7803835568827746
Energy: 0.9257526210515411
Energy: 0.8994785367372299
Energy: 0.8990141784553106
Energy: 1.7833668304201535
Energy: 0.8990141784553106
Energy: 0.9672278539404084
Energy: 0.965090817754253
Energy: 1.7662978456610852
Energy: 0.965090817754253
Energy: 0.8980939884892002
Energy: 0.8980947045264012
Energy: 1.676552949902986
Energy: 0.8980947045251818
Energy: 1.0135340480311479
Energy: 0.9654891366543789
Energy: 1.7665198833096125
Energy: 0.9654891366543789
Energy: 1.0064063103822025
Energy: 0.8984874397774041
Energy: 1.7768894008164002
Energy: 0.8984874397786234
Energy: 1.0041102472788435
Energy: 0.8975171275919108
Energy: 1.6979764748501611
Energy: 0.8975171275919108
Energy: 1.003852544438328
Energy: 0.8972863025668686
Energy: 1.5157440930977872
Energy: 0.8972863025668686
Energy: 1.3586483882472837
Energy: 0.8978588756761173
Energy: 1.6994066109882786
Energy: 0.8978588756761173
Energy: 1.3836697732304837
Energy: 1.0501082781592836
Energy: 1.687293465367538
Energy: 1.050108278156845
Energy: 1.3590623901889545
Energy: 1.1574408939498377
Energy: 1.3550972363775022
Energy: 1.1574408939486183
Energy: 1.3700872985867802
Energy: 1.1575432730353217
Energy: 1.4456356349526478
Energy: 1.1575432730365411
Energy: 1.6984651113594142
Energy: 0.899970826958821
Energy: 1.3542990401323198
Energy: 0.899970826958821
Energy: 1.5913533310427486
Energy: 0.8973884860856096
Energy: 1.364686923227123
Energy: 0.8973884860880483
Energy: 1.5916478421395523
Energy: 0.8977943351383139
Energy: 1.00552912649614
Energy: 0.8977943351370945
Energy: 1.6875802672238462
Energy: 0.8980151835206436
Energy: 1.0211859932397043
Energy: 0.8980151835218629
Energy: 1.7686795096742833
Energy: 0.8989934621531506
Energy: 1.0454357483700498
Energy: 0.8989934621519314
Energy: 1.76636423795439
Energy: 0.8976325329893512
Energy: 0.9888814536224897
Energy: 0.8976325329917898

minimum gb energy = 0.8972624235387386 eV
minimum distance =  2.31013236037319 Angstroms
sigma value = 1


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

Energy: 2.2177432168448434
Energy: 1.0962061588607848
Energy: 0.9321416166731816
Energy: 0.9325055262683811
Energy: 1.7176675017131853
Energy: 1.0092872295014068
Energy: 1.0088321663120197
Energy: 1.0092872295000168
Energy: 1.727137889085769
Energy: 0.9321114048599461
Energy: 0.931744598912781
Energy: 0.9321114048599461
Energy: 1.7168654407622785
Energy: 1.009182662305952
Energy: 1.0129684600896616
Energy: 1.0091826623045617
Energy: 1.8680116841462273
Energy: 0.9324360374205445
Energy: 1.0914569731462063
Energy: 0.9324360374205445
Energy: 1.7164844134546993
Energy: 1.009187860305219
Energy: 1.2317404647676644
Energy: 1.009187860305219
Energy: 1.7270674031294546
Energy: 0.9345050401708105
Energy: 1.1567878569514867
Energy: 0.9345050401722007
Energy: 1.543475083554866
Energy: 1.087035399654831
Energy: 1.1640914282335815
Energy: 1.0870353996534408
Energy: 1.5297157114937723
Energy: 0.9319850021990773
Energy: 1.163374622706724
Energy: 0.931985002197687
Energy: 1.5430369994210331
Energy: 1.0120083756045237
Energy: 1.5352574034492272
Energy: 1.0120083756045237
Energy: 1.5446189129379249
Energy: 0.9321029479918673
Energy: 1.4860589415491368
Energy: 0.9321029479918673
Energy: 1.1542174202876456
Energy: 1.0871086426378764
Energy: 1.3477442285624501
Energy: 1.0871086426378764
Energy: 1.2256871549525856
Energy: 0.932174945788558
Energy: 1.535679143902902
Energy: 0.932174945788558
Energy: 1.2270712537926043
Energy: 0.9322896146227776
Energy: 1.728019255217945
Energy: 0.9322896146241679
Energy: 1.0437525646537889
Energy: 0.9330517855500299
Energy: 1.704633348988918
Energy: 0.9330517855500299
Energy: 1.0086597973790357
Energy: 1.0094046770595972
Energy: 1.7159085499224807
Energy: 1.0094046770609872
Energy: 0.9315511188129365
Energy: 0.9322399147022898
Energy: 1.7277927730111484
Energy: 0.9322399147022898
Energy: 1.0121658541317395
Energy: 1.0132853814860605
Energy: 1.7146552367630548
Energy: 1.0132853814860605
Energy: 1.0122765044820528
Energy: 0.9325595615690939
Energy: 1.523311570280546
Energy: 0.9325595615690939
Energy: 1.2345679221528512
Energy: 1.0093681499856448
Energy: 1.7164372092235445
Energy: 1.0093681499856448
Energy: 1.1563201620998056
Energy: 0.9346215668593932
Energy: 1.7275501934692319
Energy: 0.9346215668580029
Energy: 1.1610179245261254
Energy: 1.087114158795239
Energy: 1.54771905778916
Energy: 1.087114158795239
Energy: 1.1633412140632933
Energy: 1.0879250033501666
Energy: 1.5289251987957866
Energy: 1.0879250033515568
Energy: 1.5361050537521779
Energy: 1.0123428034323787
Energy: 1.5452012880324333
Energy: 1.0123428034309885
Energy: 1.3490290942937366
Energy: 0.9335156235849589
Energy: 1.5444993599283185
Energy: 0.933515623586349
Energy: 1.3463106708095685
Energy: 1.0871089640406388
Energy: 1.2270333860044507
Energy: 1.0871089640406388
Energy: 1.5352395008852486
Energy: 0.93193525632738
Energy: 1.2267204203696722
Energy: 0.93193525632738
Energy: 1.7297709001895083
Energy: 0.9323619882944771
Energy: 1.2289960858949467
Energy: 0.9323619882944771
Energy: 1.7182656712633042
Energy: 0.9329869238659925
Energy: 1.152528588747288
Energy: 0.9329869238465296

minimum gb energy = 0.9315511188129365 eV
minimum distance =  2.31674653769234 Angstroms
sigma value = 25


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

Energy: 2.1038774365892627
Energy: 1.103297281138778
Energy: 0.9984463671591756
Energy: 0.995937726065947
Energy: 1.6215789497593252
Energy: 1.0812708259913093
Energy: 1.1166777940043766
Energy: 1.0812708259913093
Energy: 1.6420844198590576
Energy: 0.9970155301105783
Energy: 1.0003506039658663
Energy: 0.9970155301105783
Energy: 1.641419162558989
Energy: 1.0276070562951847
Energy: 1.0282523241768005
Energy: 1.0276070562951847
Energy: 1.5518204831097726
Energy: 0.9978340499988433
Energy: 1.4114262977402126
Energy: 0.9978340499907629
Energy: 1.6633623862933973
Energy: 1.027743947549631
Energy: 1.373217234604204
Energy: 1.027743947549631
Energy: 1.6415043323427712
Energy: 1.1530122938902374
Energy: 1.3572455711011082
Energy: 1.1530122938918537
Energy: 1.346926193380793
Energy: 1.2459740378867326
Energy: 1.3573670499499597
Energy: 1.2459740378867326
Energy: 1.358520206452612
Energy: 1.1532097034784972
Energy: 1.3571103847757153
Energy: 1.153209703476881
Energy: 1.3781890804150496
Energy: 0.998807904567631
Energy: 1.6427292257484767
Energy: 0.998807904567631
Energy: 1.310427404226138
Energy: 0.9976954869289536
Energy: 1.6519210190090963
Energy: 0.9976954869289536
Energy: 1.028667042787267
Energy: 1.0280902012364082
Energy: 1.652762602563665
Energy: 1.0280902012364082
Energy: 0.9931458056703677
Energy: 0.9946615784543836
Energy: 1.6407446271192663
Energy: 0.9946615784559996
Energy: 1.0772623811388795
Energy: 0.9980236020447284
Energy: 1.639002574894088
Energy: 0.9980236020447284
Energy: 1.0286752546506777
Energy: 0.9987788624204643
Energy: 1.5512137468141314
Energy: 0.9987788624204643
Energy: 1.2448037213906682
Energy: 1.1165636998374489
Energy: 1.6390557123340594
Energy: 1.1165636998374489
Energy: 1.1377722510799924
Energy: 0.9978747703748384
Energy: 1.641647200551535
Energy: 0.9978747703748384
Energy: 1.1377302243750582
Energy: 0.9942024533243413
Energy: 1.5465725318397856
Energy: 0.9942024533259574
Energy: 1.2088778987058904
Energy: 0.9990349138058013
Energy: 1.5164051593584091
Energy: 0.9990349136830518
Energy: 1.564287221254328
Energy: 1.0870609521998673
Energy: 1.5473188609661868
Energy: 1.0870609521998673
Energy: 1.4520133578334051
Energy: 0.9933679124365746
Energy: 1.5475885012838762
Energy: 0.9933679124365746
Energy: 1.4512657680026873
Energy: 0.9981152754739738
Energy: 1.1801577358554751
Energy: 0.9981152754739738
Energy: 1.5469140144265539
Energy: 0.9993333860393736
Energy: 1.1682057126564804
Energy: 0.9993333860409895
Energy: 1.6417576893500516
Energy: 0.993856388127492
Energy: 1.242445268124088
Energy: 0.993856388127492
Energy: 1.650312822525589
Energy: 0.9983655631408859
Energy: 1.1581710078090113
Energy: 0.9983655631408859

minimum gb energy = 0.9931458056703677 eV
minimum distance =  2.30231920511988 Angstroms
sigma value = 9


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

Energy: 1.8774151282293081
Energy: 1.3349467947144833
Energy: 1.1353707696026538
Energy: 1.137724662479959
Energy: 1.5069616260599974
Energy: 1.0395807753792357
Energy: 1.1383414525179258
Energy: 1.0395807753798272
Energy: 1.570201516492575
Energy: 1.0394956885817
Energy: 1.0393331222630284
Energy: 1.0394956885834306
Energy: 1.5700826227741793
Energy: 1.1376342067490668
Energy: 1.1372238460276138
Energy: 1.1376342067481027
Energy: 1.4450088450759513
Energy: 1.0439026794682564
Energy: 1.1782219346999474
Energy: 1.0439026794682564
Energy: 1.5703554859768645
Energy: 1.1906194788516102
Energy: 1.4215210669484155
Energy: 1.1906194788539106
Energy: 1.5703299603775966
Energy: 1.1985223606465871
Energy: 1.0172663666255066
Energy: 1.1985223606469593
Energy: 1.38430443129999
Energy: 1.194265951674223
Energy: 1.348681903145653
Energy: 1.1942659516749898
Energy: 1.3163331700212726
Energy: 1.197576240706122
Energy: 1.3501855537800307
Energy: 1.197576240707283
Energy: 1.3829726436499883
Energy: 1.1914007092633985
Energy: 1.5321322016487597
Energy: 1.191400709264932
Energy: 1.3170032364656397
Energy: 1.1374599752703827
Energy: 1.5075520484943912
Energy: 1.1374599752701855
Energy: 1.1379397883214477
Energy: 1.1379465117643528
Energy: 1.5067523181591072
Energy: 1.1379465117645502
Energy: 1.0420921634845868
Energy: 1.0397218706151639
Energy: 1.571981917301368
Energy: 1.0397218706147915
Energy: 1.1371896619478676
Energy: 1.039685288818356
Energy: 1.5768639700728468
Energy: 1.0396852888194952
Energy: 1.1386565834739728
Energy: 1.040290508342515
Energy: 1.4447694807697733
Energy: 1.040290508342712
Energy: 1.4207727605247074
Energy: 1.2794249770994794
Energy: 1.570055629803948
Energy: 1.2794249770996766
Energy: 1.0168691092671986
Energy: 1.0407993347067648
Energy: 1.569296319427003
Energy: 1.040799334706962
Energy: 1.0169316556852537
Energy: 1.1975320590500198
Energy: 1.3853852172248686
Energy: 1.1975320590500198
Energy: 1.3485040909750785
Energy: 1.1986495664536918
Energy: 1.457621496029701
Energy: 1.1986495664536918
Energy: 1.5315543867613202
Energy: 1.1896603124135436
Energy: 1.384449065510437
Energy: 1.189660312440534
Energy: 1.5074135227524554
Energy: 1.1383055448622879
Energy: 1.3859489556468068
Energy: 1.138305544862485

minimum gb energy = 1.0168691092671986 eV
minimum distance =  2.30977573432984 Angstroms
sigma value = 25


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

Energy: 1.6447276607560748
Energy: 1.201090121079885
Energy: 1.2227715937500458
Energy: 1.2147461990621453
Energy: 1.3734291502119607
Energy: 1.1453437275051395
Energy: 1.221171095096134
Energy: 1.1453437275037308
Energy: 1.4660243450941246
Energy: 1.131814995936529
Energy: 1.1299050849136631
Energy: 1.131814995936529
Energy: 1.4545750131244588
Energy: 1.1329023973388452
Energy: 1.1328528730600762
Energy: 1.132902397338141
Energy: 1.3767904029138898
Energy: 1.1313534838648756
Energy: 1.5708129239544588
Energy: 1.1313534837907486
Energy: 1.4696682156142415
Energy: 1.252862169065493
Energy: 1.4439285646658415
Energy: 1.252862169068338
Energy: 1.4702976478889231
Energy: 1.132151475520758
Energy: 1.5193391896126929
Energy: 1.132151475531487
Energy: 1.132403489760257
Energy: 1.1328845000380436
Energy: 1.5127009532594886
Energy: 1.1328845000370953
Energy: 1.1325971872094078
Energy: 1.1317602975060852
Energy: 1.4597268641474013
Energy: 1.1317602975065457
Energy: 1.2014156156242555
Energy: 1.1313056780886468
Energy: 1.4592388912411218
Energy: 1.1313056780895951
Energy: 1.130994746478879
Energy: 1.1346160842507707
Energy: 1.4534464625705108
Energy: 1.1346160842486304
Energy: 1.459348506257534
Energy: 1.222678290736311
Energy: 1.4524712864095222
Energy: 1.222678290736094
Energy: 1.3222218064677256
Energy: 1.1312451831971573
Energy: 1.4617240320458875
Energy: 1.1312451831981056
Energy: 1.3298356568882141
Energy: 1.259120352549823
Energy: 1.3829762184799934
Energy: 1.2591203525467067
Energy: 1.407106736795527
Energy: 1.2587104391728596
Energy: 1.380912910735661
Energy: 1.2587104391731037
Energy: 1.4588145488612614
Energy: 1.2588958136242643
Energy: 1.385070311743376
Energy: 1.2588958136242643
Energy: 1.3737398024080956
Energy: 1.2219452666544122
Energy: 1.3938104782491498
Energy: 1.2219452666546562

minimum gb energy = 1.1299050849136631 eV
minimum distance =  2.30312760275903 Angstroms
sigma value = 17


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

Energy: 1.638234411037544
Energy: 1.2966441117168745
Energy: 1.304127378256791
Energy: 1.2023909401523896
Energy: 1.3557981867072881
Energy: 1.1500041226458608
Energy: 1.3076971293804702
Energy: 1.1500041226431603
Energy: 1.4017200838889758
Energy: 1.15073102699326
Energy: 1.1892959629579567
Energy: 1.1507310269919098
Energy: 1.4329790088048424
Energy: 1.1398282284770058
Energy: 1.1396305669966993
Energy: 1.1398282284783563
Energy: 1.4278927942487736
Energy: 1.2935225972886424
Energy: 1.4531227637797897
Energy: 1.2935225972886424
Energy: 1.4033915881356522
Energy: 1.1547405226543064
Energy: 1.368930722735754
Energy: 1.1547405226556566
Energy: 1.3849600878706063
Energy: 1.231532935876393
Energy: 1.4654473593673287
Energy: 1.231532935876393
Energy: 1.2393434209492988
Energy: 1.2398130859035015
Energy: 1.4043955322850667
Energy: 1.2398130859021508
Energy: 1.1724451527530062
Energy: 1.15499882332055
Energy: 1.384152185108981
Energy: 1.15499882332055
Energy: 1.1624051606075467
Energy: 1.1549981536227898
Energy: 1.3849562233456014
Energy: 1.1549981536227898
Energy: 1.1586290678724445
Energy: 1.2597025033419849
Energy: 1.4339045830448252
Energy: 1.2597025033419849
Energy: 1.3770719193809169
Energy: 1.2419564516988915
Energy: 1.384847251380078
Energy: 1.241956451697541
Energy: 1.4671798659775857
Energy: 1.1646910903307353
Energy: 1.3863650736503468
Energy: 1.1646910903307353
Energy: 1.4681844406032063
Energy: 1.1520672889042187
Energy: 1.1639728357219614
Energy: 1.1520672889109702
Energy: 1.3624921170942883
Energy: 1.14812300007443
Energy: 1.1648004498143663
Energy: 1.1481230000730798
Energy: 1.362441949614317
Energy: 1.1549512991791713
Energy: 1.1955450148777194
Energy: 1.1549512991791713
Energy: 1.3940431406618217
Energy: 1.2386602964532858
Energy: 1.2398716141899229
Energy: 1.2386602964519355
Energy: 1.4434017327497435
Energy: 1.2386204327878758
Energy: 1.4397833419078618
Energy: 1.2386204327878758
Energy: 1.3622193040522306
Energy: 1.1546715446268756
Energy: 1.3946688466660242
Energy: 1.1546715446255251
Energy: 1.236537560013065
Energy: 1.2936517093363027
Energy: 1.4483584513511958
Energy: 1.2936517093363027
Energy: 1.1381794989103484
Energy: 1.1509717501461372
Energy: 1.3949155596918958
Energy: 1.1509717501488377
Energy: 1.1704796085674731
Energy: 1.1501010328361778
Energy: 1.394091536995877
Energy: 1.15010103284698
Energy: 1.2956573079560385
Energy: 1.2007080886881047
Energy: 1.3941312167328475
Energy: 1.2007080886881047
Energy: 1.2071618847874388
Energy: 1.1530100049809413
Energy: 1.442583188368956
Energy: 1.1530100049809413
Energy: 1.4197321894294836
Energy: 1.149872793782609
Energy: 1.3943311244709657
Energy: 1.149872793782609
Energy: 1.2650700012744025
Energy: 1.2547420967132887
Energy: 1.3941895039634002
Energy: 1.2547420967132887
Energy: 1.3132251681913762
Energy: 1.2583803816280321
Energy: 1.2755496832809552
Energy: 1.2583803816280321
Energy: 1.4016228981905117
Energy: 1.254792058819421
Energy: 1.2687848106391264
Energy: 1.254792058819421
Energy: 1.4101071751918777
Energy: 1.1502883633015006
Energy: 1.3176494622074402
Energy: 1.150288363302851
Energy: 1.4018805805670314
Energy: 1.1518554487065547
Energy: 1.3309090528596963
Energy: 1.151855448707905

minimum gb energy = 1.1381794989103484 eV
minimum distance =  2.28391195313426 Angstroms
sigma value = 53


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

Energy: 1.0215395921650898
Energy: 1.0421166943909395
Energy: 1.055522780652015
Energy: 1.5685059881760999
Energy: 1.0234375296250138
Energy: 1.0573573814958979
Energy: 1.0614345741183324
Energy: 1.0573573814962156
Energy: 1.3647772674359615
Energy: 1.0745278917280983
Energy: 1.0520374246166173
Energy: 1.074527891728416
Energy: 1.2276603435525884
Energy: 1.0780483641938603
Energy: 1.0571794426242005
Energy: 1.078048364194496
Energy: 1.2807336107119787
Energy: 1.0586876613984386
Energy: 1.060443643815853
Energy: 1.0586876613990743
Energy: 1.2236325632778078
Energy: 1.077367239095952
Energy: 1.282421502931493
Energy: 1.0773672390950333
Energy: 1.281519688736577
Energy: 1.0772299525408613
Energy: 1.0236269473967523
Energy: 1.0772299525420979
Energy: 1.0578024662117316
Energy: 1.0599193907004894
Energy: 1.023802720916267
Energy: 1.0599193906998534
Energy: 1.0565176591700762
Energy: 1.0765805657616203
Energy: 1.2831830461185756
Energy: 1.0765805657628569
Energy: 1.0630439231256514
Energy: 1.0777467994285783
Energy: 1.222732677182462
Energy: 1.07774679942985
Energy: 1.0581076242876801
Energy: 1.0589047667628453
Energy: 1.2288170350497547
Energy: 1.0589047667646823
Energy: 1.3655978892897265
Energy: 1.1627220369018425
Energy: 1.2275570071932518
Energy: 1.1627220369027962
Energy: 1.0237883171447093
Energy: 1.0749780940544547
Energy: 1.3646383703325728
Energy: 1.0749780940556908

minimum gb energy = 1.0215395921650898 eV
minimum distance =  2.29380934016251 Angstroms
sigma value = 9


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

Energy: 1.7368417831226013
Energy: 1.320411363578569
Energy: 1.3289459614287749
Energy: 1.3298434614041572
Energy: 1.4836335122085325
Energy: 1.2851483172180178
Energy: 1.4043115159683863
Energy: 1.2851483172180178
Energy: 1.2614231363333694
Energy: 1.2424625174842563
Energy: 1.2843104482040306
Energy: 1.2424625174842563
Energy: 1.2608393980209232
Energy: 1.2463460970428293
Energy: 1.2591674728394067
Energy: 1.2463460970428293
Energy: 1.2351135982614558
Energy: 1.2444292988075591
Energy: 1.2625030440573273
Energy: 1.24442929880871
Energy: 1.3172024549234083
Energy: 1.291723700904919
Energy: 1.4629524896600934
Energy: 1.2917237009026177
Energy: 1.4090528095715376
Energy: 1.3732182068214835
Energy: 1.6091846824797973
Energy: 1.3732182067466978
Energy: 1.4992025449478608
Energy: 1.2990012004331382
Energy: 1.6090827323459649
Energy: 1.299001190984404
Energy: 1.412330232966785
Energy: 1.2573132943480443
Energy: 1.3347069189007459
Energy: 1.2573132943468937
Energy: 1.2821839969003317
Energy: 1.290651878611178
Energy: 1.1854392952666635
Energy: 1.290651878611178
Energy: 1.4394482753539322
Energy: 1.2535291595781122
Energy: 1.1838106269856605
Energy: 1.2535291595792628
Energy: 1.3699185061837453
Energy: 1.3011664952606445
Energy: 1.239122591749199
Energy: 1.3011664952606445
Energy: 1.6104653013853882
Energy: 1.327147126108074
Energy: 1.3114362954118466
Energy: 1.327147126108074
Energy: 1.6101379850605995
Energy: 1.3703562563449467
Energy: 1.4899289582404713
Energy: 1.3703562563449467
Energy: 1.4611145364249158
Energy: 1.2975298642382138
Energy: 1.527831483181304
Energy: 1.2975298642382138
Energy: 1.4370565742642547
Energy: 1.3289196696057028
Energy: 1.4971235800066092
Energy: 1.3289196696057028
Energy: 1.1982701241935343
Energy: 1.2019883674400014
Energy: 1.5241124947463167
Energy: 1.201988367441152
Energy: 1.2163725259904692
Energy: 1.263807683146036
Energy: 1.6034853747097846
Energy: 1.263807683146036
Energy: 1.25070202368369
Energy: 1.3074775489346844
Energy: 1.5645828718217019
Energy: 1.3074775489346844
Energy: 1.2567640495256482
Energy: 1.3255507808782805
Energy: 1.5698373572398503
Energy: 1.3255507808771299
Energy: 1.4809205999208201
Energy: 1.2588800392418642
Energy: 1.5292343938268211
Energy: 1.2588800392418642
Energy: 1.6392111350377832
Energy: 1.2501266633863508
Energy: 1.522420009838922
Energy: 1.2501266633840498
Energy: 1.6415322116837605
Energy: 1.3218911043803707
Energy: 1.2500332980561666
Energy: 1.3218911043780697
Energy: 1.5758333969814695
Energy: 1.2638335023283378
Energy: 1.2371582397994936
Energy: 1.2638335023283378
Energy: 1.5563330194797582
Energy: 1.2856919695556508
Energy: 1.196870596617964
Energy: 1.2856919695556508
Energy: 1.3911807663507458
Energy: 1.3273877000201864
Energy: 1.1986488933011112
Energy: 1.327387700019036
Energy: 1.5718038795594158
Energy: 1.2904440203069154
Energy: 1.4603328436986365
Energy: 1.2904440202758505
Energy: 1.5356701806390438
Energy: 1.3259626321341662
Energy: 1.6249425527096608
Energy: 1.325962632135317
Energy: 1.2804625072144826
Energy: 1.3053813867293749
Energy: 1.6391055460066728
Energy: 1.3053813867259232
Energy: 1.3245140864487859
Energy: 1.3208897980160599
Energy: 1.6291778302868134
Energy: 1.3208897980160599
Energy: 1.2317041991038975
Energy: 1.2494685734191748
Energy: 1.41672085939171
Energy: 1.2494685734168738
Energy: 1.1858845577361288
Energy: 1.2115584246507813
Energy: 1.4103473353615263
Energy: 1.2115584246507813
Energy: 1.2858279767075014
Energy: 1.2916442176170346
Energy: 1.4129686680255165
Energy: 1.2916442176181853
Energy: 1.4737029515301265
Energy: 1.285760841718141
Energy: 1.5220029577579028
Energy: 1.2857608417169906
Energy: 1.635312000723547
Energy: 1.4094485271511927
Energy: 1.4444744951393336
Energy: 1.4094485271488917

minimum gb energy = 1.1838106269856605 eV
minimum distance =  2.22729416510466 Angstroms
sigma value = 73


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

Energy: 1.7243308121066858
Energy: 1.3136329749469744
Energy: 1.375024394003234
Energy: 1.3753433655400331
Energy: 1.512794264860938
Energy: 1.3472991029604755
Energy: 1.4046107718551772
Energy: 1.3472991029599362
Energy: 1.3120991384136245
Energy: 1.2730958778411023
Energy: 1.3439285236425793
Energy: 1.2730958778398163
Energy: 1.3141725265213602
Energy: 1.2729588224318473
Energy: 1.3130674533827913
Energy: 1.2729588224373236
Energy: 1.3154822424838417
Energy: 1.275563543859439
Energy: 1.3471460683792167
Energy: 1.2755635438597916
Energy: 1.4033963796968323
Energy: 1.351086566479063
Energy: 1.4967699839114688
Energy: 1.3510865664792289
Energy: 1.406522422669279
Energy: 1.405171712390517
Energy: 1.5973577482007797
Energy: 1.4051717123899778
Energy: 1.5788450777601708
Energy: 1.3269288235481842
Energy: 1.6609741658546928
Energy: 1.3269288235487235
Energy: 1.5272416282440124
Energy: 1.285662951859006
Energy: 1.4132076346433815
Energy: 1.2856629518588192
Energy: 1.3442601057425037
Energy: 1.3433640196444643
Energy: 1.2465976456149217
Energy: 1.3433640196444643
Energy: 1.5276679418569679
Energy: 1.2945044516790893
Energy: 1.200125432637675
Energy: 1.2945044516787159
Energy: 1.5504497118603913
Energy: 1.3633662920610803
Energy: 1.2705958186073472
Energy: 1.363366292061454
Energy: 1.4939437308181307
Energy: 1.2549820847514013
Energy: 1.2553625506541304
Energy: 1.2549820847514013
Energy: 1.4935959190740538
Energy: 1.3506001771625944
Energy: 1.5555660833263156
Energy: 1.3506001771622211
Energy: 1.591087879732061
Energy: 1.3319063711807784
Energy: 1.5877623931943008
Energy: 1.331906371180218
Energy: 1.5500706704753269
Energy: 1.3520724519936105
Energy: 1.650380197046957
Energy: 1.3520724519936105
Energy: 1.25511614235447
Energy: 1.3064652722118393
Energy: 1.6470208831484663
Energy: 1.3064652722111136
Energy: 1.2716329243480273
Energy: 1.3252285267468256
Energy: 1.6165902070678246
Energy: 1.3252285267470123
Energy: 1.2004960777511473
Energy: 1.2032210278232813
Energy: 1.5278969203043191
Energy: 1.2032210278225555
Energy: 1.2462376002060997
Energy: 1.3440570235705984
Energy: 1.5100231027858242
Energy: 1.3440570235694989
Energy: 1.3862692052737347
Energy: 1.2950297077688286
Energy: 1.5245641285762466
Energy: 1.2950297077675423
Energy: 1.637418995299525
Energy: 1.3337202731323634
Energy: 1.569890094553874
Energy: 1.3337202731319897

minimum gb energy = 1.200125432637675 eV
minimum distance =  2.26297225068523 Angstroms
sigma value = 7


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

Energy: 2.3464155948732976
Energy: 1.2836897906127953
Energy: 1.3995508557538767
Energy: 1.4066306330273168
Energy: 1.8063658905982605
Energy: 1.2922783003251097
Energy: 1.3950197168994534
Energy: 1.2922783003264005
Energy: 1.4436115230866835
Energy: 1.2758987022588173
Energy: 1.4044572086889908
Energy: 1.275898702261399
Energy: 1.3532358542303082
Energy: 1.278663652750061
Energy: 1.308446989435327
Energy: 1.2786636527552238
Energy: 1.3585817433756384
Energy: 1.278518913231725
Energy: 1.3579718454093437
Energy: 1.278518913231725
Energy: 1.3633116604847466
Energy: 1.3210827245861534
Energy: 1.5798956593225801
Energy: 1.3210827245861534
Energy: 1.3667876043321896
Energy: 1.3940900049463114
Energy: 1.6070978153378028
Energy: 1.3940900049476022
Energy: 1.5997432304096366
Energy: 1.2977066300035058
Energy: 1.603549441427501
Energy: 1.2977066300035058
Energy: 1.563687944643442
Energy: 1.3058308179322553
Energy: 1.456689711112064
Energy: 1.3058308179296738
Energy: 1.406876831599031
Energy: 1.3027388410832539
Energy: 1.2284207235920879
Energy: 1.3027388410806724
Energy: 1.6190662610038538
Energy: 1.3194306641741531
Energy: 1.2200989664440482
Energy: 1.3194306641754439
Energy: 1.4946554253431477
Energy: 1.3081862246788125
Energy: 1.3208486782288522
Energy: 1.308186224677522
Energy: 1.6166929373534744
Energy: 1.224373292605319
Energy: 1.2826561826351508
Energy: 1.2243732926040283
Energy: 1.6134882775756374
Energy: 1.3038501461266567
Energy: 1.448936539900908
Energy: 1.3038501461279475
Energy: 1.6291772779336957
Energy: 1.3228259352630722
Energy: 1.4555843199449485
Energy: 1.3228259352617815
Energy: 1.6256851883450993
Energy: 1.2965477313628992
Energy: 1.8056579453154253
Energy: 1.2965477313745162
Energy: 1.4450244051716727
Energy: 1.2943980647994922
Energy: 1.8112041299998074
Energy: 1.2943980647969104
Energy: 1.403243002630251
Energy: 1.2917073796584455
Energy: 1.4436138131481326
Energy: 1.2917073796597363
Energy: 1.3083537384845394
Energy: 1.276673684093978
Energy: 1.3563188673646314
Energy: 1.2766736840926873
Energy: 1.3583320714648979
Energy: 1.276602816423769
Energy: 1.3064135774718448
Energy: 1.2766028164263505
Energy: 1.4568510389970593
Energy: 1.3204462450511614
Energy: 1.3205090304413012
Energy: 1.3204462450511614
Energy: 1.6073425949944997
Energy: 1.3707140660841282
Energy: 1.3678764504345966
Energy: 1.3707140660854187
Energy: 1.600602863549656
Energy: 1.4460594524830388
Energy: 1.550149333733454
Energy: 1.4460594524843295
Energy: 1.457076957874392
Energy: 1.319358594251139
Energy: 1.6011042410447112
Energy: 1.319358594251139
Energy: 1.4013756805734463
Energy: 1.3025768227507122
Energy: 1.3903153266559345
Energy: 1.3025768227520031
Energy: 1.2227653361160638
Energy: 1.2234287344700434
Energy: 1.3845457998258752
Energy: 1.2234287344713342
Energy: 1.3227309969216299
Energy: 1.3796812194188715
Energy: 1.5561391504697686
Energy: 1.3796812194201624
Energy: 1.2217457411979173
Energy: 1.2251507804893553
Energy: 1.6543686091485466
Energy: 1.2251507804893553
Energy: 1.2843716165015961
Energy: 1.3026047136156487
Energy: 1.6248139766874248
Energy: 1.3026047136143577
Energy: 1.5140070186398218
Energy: 1.3211335652055916
Energy: 1.5937679532205475
Energy: 1.3211335652055916
Energy: 1.8087582730260068
Energy: 1.2950199364900776
Energy: 1.6252298172914748
Energy: 1.2950199364668435

minimum gb energy = 1.2200989664440482 eV
minimum distance =  2.2599347282615 Angstroms
sigma value = 29


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

Energy: 1.6321417180331717
Energy: 1.2735498417058149
Energy: 1.5759832971517613
Energy: 1.4904516196856008
Energy: 1.4327981508866534
Energy: 1.2368533384638345
Energy: 1.4087794527851794
Energy: 1.2368533384576894
Energy: 1.3958658235769834
Energy: 1.2381309797667854
Energy: 1.2993720787588843
Energy: 1.2381309797663358
Energy: 1.305268165105517
Energy: 1.238828569404485
Energy: 1.1269480611535174
Energy: 1.2388285694049346
Energy: 1.3044122349059173
Energy: 1.244979302055018
Energy: 1.2979064499740844
Energy: 1.2449793020554676
Energy: 1.3039628828488539
Energy: 1.2437935914563134
Energy: 1.3640581821429825
Energy: 1.243793591453241
Energy: 1.4105147714683763
Energy: 1.407083125745122
Energy: 1.2820983321500303
Energy: 1.4070831257490932
Energy: 1.4703608420125724
Energy: 1.236519212011694
Energy: 1.3639170573243724
Energy: 1.236519212011694
Energy: 1.4322974839867137
Energy: 1.2731463480818739
Energy: 1.4532575530761855
Energy: 1.2731463480818739

minimum gb energy = 1.1269480611535174 eV
minimum distance =  2.25404545226589 Angstroms
sigma value = 5


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

Energy: 1.713502116643801
Energy: 1.5837640771010932
Energy: 1.5935144189799892
Energy: 1.7516991387364798
Energy: 1.2654024084753992
Energy: 1.2663866252028069
Energy: 1.5256422233878044
Energy: 1.2663866251845173
Energy: 1.2115580018706558
Energy: 1.2123185896416162
Energy: 1.5121114224419505
Energy: 1.2123185896391775
Energy: 1.2025404041360415
Energy: 1.2666245177437025
Energy: 1.454435533202334
Energy: 1.2666245177400448
Energy: 1.2168916308033162
Energy: 1.2220094617634247
Energy: 1.4666407272892774
Energy: 1.2220094617634247
Energy: 1.2261647068935027
Energy: 1.2512014554939508
Energy: 1.4232900103227666
Energy: 1.2512014554939508
Energy: 1.218380675493002
Energy: 1.2993630141431736
Energy: 1.3809707045773894
Energy: 1.299363014144393
Energy: 1.2223192285321074
Energy: 1.2468377900492809
Energy: 1.374551815031329
Energy: 1.2468377900480616
Energy: 1.5497270891525183
Energy: 1.2459716491860233
Energy: 1.4158502611326678
Energy: 1.2459716492054767
Energy: 1.5051519300908425
Energy: 1.4458822828204527
Energy: 1.5062954136849005
Energy: 1.4458822828204527
Energy: 1.4800615589952004
Energy: 1.2554764114083168
Energy: 1.57654975318951
Energy: 1.255476411221875
Energy: 1.439444606537408
Energy: 1.2469618975029568
Energy: 1.574938135087364
Energy: 1.2469618975005183
Energy: 1.3841657985797762
Energy: 1.3523148273515782
Energy: 1.5789712847741695
Energy: 1.3523148273527974
Energy: 1.4135417058684003
Energy: 1.339234476139057
Energy: 1.220907863506489
Energy: 1.339234476139057
Energy: 1.3822446652256626
Energy: 1.3025101533562429
Energy: 1.2199651303218328
Energy: 1.3025101533562429
Energy: 1.3857605798262396
Energy: 1.2471024082436784
Energy: 1.2215628365220434
Energy: 1.2471024082436784
Energy: 1.425623540713397
Energy: 1.251047420746987
Energy: 1.2684581649454276
Energy: 1.2510474207482063
Energy: 1.5123990701112127
Energy: 1.2123035051136997
Energy: 1.215402225635593
Energy: 1.212303505114919
Energy: 1.5155653521785917
Energy: 1.3483074430945625
Energy: 1.2021373911701418
Energy: 1.3483074430945625
Energy: 1.5314185856689313
Energy: 1.2163616994813344
Energy: 1.2034756966761917
Energy: 1.216361699504501
Energy: 1.5388900240077976
Energy: 1.274325294562136
Energy: 1.6380176750368707
Energy: 1.274325294562136
Energy: 1.6844517748246686
Energy: 1.438941902290223
Energy: 1.6407925931542404
Energy: 1.4389419022829073
Energy: 1.6073965299461266
Energy: 1.23347816816888
Energy: 1.2039507626153387
Energy: 1.2334781681957045
Energy: 1.579717725456218
Energy: 1.2508691019311944
Energy: 1.3034230402669795
Energy: 1.2508691019311944
Energy: 1.5760065428870627
Energy: 1.214864824347016
Energy: 1.248033662118354
Energy: 1.214864824347016
Energy: 1.3543340599873268
Energy: 1.2768115530843198
Energy: 1.324395587989307
Energy: 1.2768115530843198
Energy: 1.269470752549939
Energy: 1.2704294516448555
Energy: 1.2750333904880755
Energy: 1.270429451646075
Energy: 1.2748719667840747
Energy: 1.2681965052900905
Energy: 1.2711010241259542
Energy: 1.2681965052913096
Energy: 1.3046157402987404
Energy: 1.2975229455816686
Energy: 1.3472690102426783
Energy: 1.297522945592642
Energy: 1.2662649686049094
Energy: 1.2489516129402773
Energy: 1.5061386298071564
Energy: 1.2489516129402773
Energy: 1.3023475164643408
Energy: 1.2526991302905361
Energy: 1.5089231814040782
Energy: 1.2526991302917556
Energy: 1.2330861400386217
Energy: 1.2339422907894049
Energy: 1.601288572599702
Energy: 1.233942290773554
Energy: 1.7055558298078626
Energy: 1.5378046877485905
Energy: 1.5969030862733062
Energy: 1.5378046877485905

minimum gb energy = 1.2021373911701418 eV
minimum distance =  2.22692831016712 Angstroms
sigma value = 1


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

Energy: 2.1860597793509062
Energy: 1.429990683862561
Energy: 1.534719441479587
Energy: 1.6240604023434033
Energy: 1.2100546373565744
Energy: 1.3445547211673496
Energy: 1.3709056723499533
Energy: 1.3445547211673496
Energy: 1.239482756178556
Energy: 1.2507274123296614
Energy: 1.4367168243497974
Energy: 1.2507274123296614
Energy: 1.2346947895942884
Energy: 1.2509820825302314
Energy: 1.3000869548751746
Energy: 1.2509820825369748
Energy: 1.241001221444215
Energy: 1.2510894425635388
Energy: 1.273419622109943
Energy: 1.251089442561853
Energy: 1.2617584915301752
Energy: 1.247422097735657
Energy: 1.4582409442059512
Energy: 1.2474220977440864
Energy: 1.246912514348279
Energy: 1.342994541293752
Energy: 1.4824500965441416
Energy: 1.342994541293752
Energy: 1.3035160353660402
Energy: 1.2482650837174947
Energy: 1.4751531453406443
Energy: 1.2482650837191804
Energy: 1.1679343010945364
Energy: 1.3261821241730942
Energy: 1.4781604596820672
Energy: 1.3261821241730942
Energy: 1.4789793636554922
Energy: 1.7556098705010779
Energy: 1.7348198403540407
Energy: 1.7556098705010779
Energy: 1.1676289669681243
Energy: 1.4448216524841715
Energy: 1.5461763572610563
Energy: 1.4448216524841715
Energy: 1.1687484098280725
Energy: 1.1319496850988993
Energy: 1.5711256971562777
Energy: 1.131949685100585
Energy: 1.1649931017698851
Energy: 1.1335020923637504
Energy: 1.5685076710074615
Energy: 1.1335020923637504
Energy: 1.1681876040881833
Energy: 1.1320613882882817
Energy: 1.196348616248346
Energy: 1.1320613882899677
Energy: 1.2991610960633673
Energy: 1.344045836104736
Energy: 1.3790751313491858
Energy: 1.344045836104736
Energy: 1.2999131143801108
Energy: 1.1990363192995335
Energy: 1.3451547743468124
Energy: 1.1990363192978473
Energy: 1.3418373363273723
Energy: 1.3016669979219142
Energy: 1.2947130802895572
Energy: 1.3016669979219142
Energy: 1.4566721753753864
Energy: 1.256789373033128
Energy: 1.2765847956212395
Energy: 1.256789373033128
Energy: 1.4649719741893767
Energy: 1.3350682253612165
Energy: 1.2701905582729092
Energy: 1.3350682253612165
Energy: 1.4842332201058424
Energy: 1.2564498019836754
Energy: 1.313314197410554
Energy: 1.2564498019853612
Energy: 1.4206832738198354
Energy: 1.2520197338334478
Energy: 1.478899459486526
Energy: 1.2520197338334478
Energy: 1.450084984637164
Energy: 1.2516656706997855
Energy: 1.4786573958108162
Energy: 1.251665670709901
Energy: 1.4579110491482086
Energy: 1.3098996221790349
Energy: 1.3820599796359425
Energy: 1.3098996221807206
Energy: 1.414316661699498
Energy: 1.401690430676101
Energy: 1.450455193684787
Energy: 1.401690430662614

minimum gb energy = 1.1319496850988993 eV
minimum distance =  2.2252097592714 Angstroms
sigma value = 17


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

Energy: 1.8072729195081263
Energy: 1.5617364947929284
Energy: 1.7333229127514802
Energy: 1.6904271049522492
Energy: 1.1818505604539704
Energy: 1.2139129751014202
Energy: 1.4730117989982086
Energy: 1.213912975102462
Energy: 1.181407395120441
Energy: 1.17872474784237
Energy: 1.4842116053526075
Energy: 1.178724747849664
Energy: 1.1740120283014541
Energy: 1.178250321557833
Energy: 1.4877425962634674
Energy: 1.178250321558875
Energy: 1.176645345338318
Energy: 1.2477346806900433
Energy: 1.3041551756615375
Energy: 1.247734681830523
Energy: 1.2349407476583285
Energy: 1.2205222540357472
Energy: 1.2662527296032313
Energy: 1.2205222540357472
Energy: 1.2464454158119749
Energy: 1.2215801754825226
Energy: 1.2364470052176906
Energy: 1.2215801754825226
Energy: 1.267365336071616
Energy: 1.2238782091927238
Energy: 1.2326640840451069
Energy: 1.2238782091937659
Energy: 1.473342932399165
Energy: 1.1777606373490686
Energy: 1.1792956969229373
Energy: 1.1777606373480265
Energy: 1.427026715157098
Energy: 1.1792904716256334
Energy: 1.1802979673452116
Energy: 1.1792904716245916
Energy: 1.54177063040795
Energy: 1.179259724023595
Energy: 1.1786008932645438
Energy: 1.179259724023595
Energy: 1.486688221355714
Energy: 1.2149988687837652
Energy: 1.5330846321050833
Energy: 1.2149988687837652
Energy: 1.6788059596142784
Energy: 1.2130809798647442
Energy: 1.5282402758267108
Energy: 1.2130809798657864
Energy: 1.3828256326947317
Energy: 1.2996732522114427
Energy: 1.1783591407589051
Energy: 1.2996732522114427
Energy: 1.4779632692100686
Energy: 1.17839366603237
Energy: 1.312055399580433
Energy: 1.1783936660334122
Energy: 1.6127005344700027
Energy: 1.1768049166708645
Energy: 1.264490910470968
Energy: 1.1768049166698225
Energy: 1.2090374823728622
Energy: 1.2140563233078212
Energy: 1.3529449939651887
Energy: 1.2140563233068267
Energy: 1.2131580476860813
Energy: 1.242813042518996
Energy: 1.3219621024719441
Energy: 1.242813042520038
Energy: 1.206188152692429
Energy: 1.2128907421230088
Energy: 1.3120396935971672
Energy: 1.212890742121967
Energy: 1.248469588062075
Energy: 1.2933785863683096
Energy: 1.4454413577689074
Energy: 1.2933785863683096
Energy: 1.1859808025957286
Energy: 1.1960177298927392
Energy: 1.4255580255340252
Energy: 1.196017729893781
Energy: 1.1905838075256363
Energy: 1.1967746183844727
Energy: 1.424704723771221
Energy: 1.1967746183844727
Energy: 1.1957128536935295
Energy: 1.3124155453561153
Energy: 1.328723804202396
Energy: 1.3124155453561153
Energy: 1.5374887489871703
Energy: 1.3849875259322983
Energy: 1.399333088079538
Energy: 1.3849875259312565
Energy: 1.5311366167201634
Energy: 1.1972243483259977
Energy: 1.4680863858553934
Energy: 1.1972243483259977
Energy: 1.4648981003606276
Energy: 1.2036060737282563
Energy: 1.1967813187753218
Energy: 1.2036060737282563
Energy: 1.4985120598577226
Energy: 1.479186230255101
Energy: 1.6036975755718479
Energy: 1.4791862302530168
Energy: 1.39085672167595
Energy: 1.1977460156233222
Energy: 1.2021610012714619
Energy: 1.1977460156160282
Energy: 1.424022540262084
Energy: 1.1971047310492573
Energy: 1.1937913178370656
Energy: 1.1971047310502994
Energy: 1.3788129345922164
Energy: 1.1987320475348366
Energy: 1.1897151109137083
Energy: 1.1987320475348366
Energy: 1.4212265196639753
Energy: 1.1983209262897003
Energy: 1.1896232812249097
Energy: 1.1983209262907424
Energy: 1.3567198001527156
Energy: 1.2181330429016568
Energy: 1.1998446937663698
Energy: 1.218133042902699
Energy: 1.3155612372193217
Energy: 1.2173527923244227
Energy: 1.2086913188778579
Energy: 1.2173527923244227
Energy: 1.310072789949749
Energy: 1.2134223256470207
Energy: 1.2028588132753122
Energy: 1.2134223256470207
Energy: 1.2636996249962396
Energy: 1.1820909847404037
Energy: 1.206150889486751
Energy: 1.1820909847383196
Energy: 1.2818863181391345
Energy: 1.2826356150212839
Energy: 1.5443728822053069
Energy: 1.2826356150212839
Energy: 1.3072536811670858
Energy: 1.1805887702980713
Energy: 1.5019603953237908
Energy: 1.1805887702970292
Energy: 1.4499172153425173
Energy: 1.216854453566366
Energy: 1.5275778336738883
Energy: 1.216854453567408

minimum gb energy = 1.1740120283014541 eV
minimum distance =  2.2358872197186 Angstroms
sigma value = 89


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

Energy: 2.088125864697073
Energy: 1.1332493270039838
Energy: 1.3820047172869505
Energy: 1.3716711480246357
Energy: 1.1450950722062452
Energy: 1.1480296957316147
Energy: 1.1412680354283344
Energy: 1.1480296957313667
Energy: 1.1423064817176778
Energy: 1.1464402681695685
Energy: 1.2492349595004573
Energy: 1.1464402681687629
Energy: 1.1378586289686554
Energy: 1.1467771337836845
Energy: 1.2499335940571468
Energy: 1.1467771337809582
Energy: 1.1369632413921378
Energy: 1.1708174106544456
Energy: 1.2672502834070571
Energy: 1.1708174106549722
Energy: 1.1974424108525532
Energy: 1.1552347110254182
Energy: 1.255957885143891
Energy: 1.1552347110254182
Energy: 1.2039192387208673
Energy: 1.1538746874040309
Energy: 1.1991832936634095
Energy: 1.1538746874032255
Energy: 1.2605182612208683
Energy: 1.1575998913474257
Energy: 1.1972993336967552
Energy: 1.157599891347147
Energy: 1.2370156996459611
Energy: 1.1474243284121866
Energy: 1.1333950710762786
Energy: 1.1474243284116599
Energy: 1.2357085767883051
Energy: 1.147099419087439
Energy: 1.1352509528590389
Energy: 1.147099419087439
Energy: 1.233762737651517
Energy: 1.1487189881448108
Energy: 1.1423950848455793
Energy: 1.1487189881445317
Energy: 1.4032591004847537
Energy: 1.1464210163885329
Energy: 1.408982479079777
Energy: 1.1464210163882538
Energy: 1.4242646093659308
Energy: 1.1481806098156246
Energy: 1.408619318538433
Energy: 1.1481806098161824
Energy: 1.142478697932123
Energy: 1.2388508349438352
Energy: 1.1420246814540564
Energy: 1.2388508349435563
Energy: 1.5764200953874625
Energy: 1.1466899795608483
Energy: 1.1421096307140375
Energy: 1.1466899795611274

minimum gb energy = 1.1332493270039838 eV
minimum distance =  2.25376852045216 Angstroms
sigma value = 13


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

Energy: 1.3185730664843225
Energy: 1.206396541192914
Energy: 1.3727783029167895
Energy: 1.4109095154140128
Energy: 1.1032057329502551
Energy: 1.1142949222858283
Energy: 1.1094063071905933
Energy: 1.1142949222846854
Energy: 1.1100905958163392
Energy: 1.1125816683037768
Energy: 1.2892774795883366
Energy: 1.112581668302634
Energy: 1.1050674572136168
Energy: 1.1112967234552984
Energy: 1.2845257193589878
Energy: 1.1112967234564413
Energy: 1.1111621110528624
Energy: 1.139987884281803
Energy: 1.1894712997279604
Energy: 1.1399878847695493
Energy: 1.221092338304472
Energy: 1.0966687266680346
Energy: 1.1412919415684701
Energy: 1.0966687266680346
Energy: 1.2194428305302325
Energy: 1.0953963967448503
Energy: 1.1274309741621398
Energy: 1.0953963967448503
Energy: 1.2619510941952499
Energy: 1.0980957458588374
Energy: 1.13134217020474
Energy: 1.0980957458485525
Energy: 1.2171611469710282
Energy: 1.0981935933450924
Energy: 1.130307744284687
Energy: 1.0981935933462352
Energy: 1.2220583411189663
Energy: 1.0982275579542837
Energy: 1.124975525033047
Energy: 1.0982275579531409
Energy: 1.2032973079886313
Energy: 1.101787444662834
Energy: 1.1920362992659668
Energy: 1.1017874446594058
Energy: 1.1090081716879472
Energy: 1.1110700553954522
Energy: 1.2159687270940753
Energy: 1.1110700553954522
Energy: 1.1186729837268417
Energy: 1.1121210784063988
Energy: 1.2155895858567534
Energy: 1.1121210784041133
Energy: 1.1088037804481683
Energy: 1.115583767567867
Energy: 1.218055031963071
Energy: 1.1155837675644389
Energy: 1.4214795158136737
Energy: 1.1197170581214777
Energy: 1.1078075039857296
Energy: 1.119717058120335
Energy: 1.4205738304862807
Energy: 1.1113996048322585
Energy: 1.1089811738624455
Energy: 1.111399604834544
Energy: 1.1079313726370996
Energy: 1.1164476610583145
Energy: 1.109868441481563
Energy: 1.116447661051458
Energy: 1.1124507059302888
Energy: 1.1118123616621005
Energy: 1.2875649166583114
Energy: 1.1118123616609576
Energy: 1.1094550164834605
Energy: 1.1125396693600607
Energy: 1.1027750770813944
Energy: 1.1125396693577752
Energy: 1.2175379797621821
Energy: 1.1146746155779361
Energy: 1.1131491131174622
Energy: 1.1146746155779361
Energy: 1.2875033807380205
Energy: 1.1604480779198527
Energy: 1.1070362847247432
Energy: 1.1604480779198527
Energy: 1.189379129861208
Energy: 1.2092956571703224
Energy: 1.1125028456948705
Energy: 1.2092956571919824
Energy: 1.1907997760035958
Energy: 1.097500017497113
Energy: 1.2170582255448028
Energy: 1.0975000174959701
Energy: 1.1296980977804678
Energy: 1.0968220227829792
Energy: 1.1568198562503733
Energy: 1.0968220227829792
Energy: 1.128955215590789
Energy: 1.1026867994285616
Energy: 1.2111055457430993
Energy: 1.1026867994262761
Energy: 1.1278282487842946
Energy: 1.1024596102195885
Energy: 1.2629152590999662
Energy: 1.1024596102195885
Energy: 1.1264664642158582
Energy: 1.0993477031058032
Energy: 1.2185674252599463
Energy: 1.0993477031058032
Energy: 1.1909033900980068
Energy: 1.1004521502880444
Energy: 1.2160132386266451
Energy: 1.1004521502869018
Energy: 1.189423297140294
Energy: 1.1126966485421912
Energy: 1.1099775981390598
Energy: 1.1126966485410485
Energy: 1.2158803557398898
Energy: 1.1121717362854726
Energy: 1.1113301283487111
Energy: 1.112171736283187
Energy: 1.2140561658205709
Energy: 1.116069509089438
Energy: 1.1118549954891612
Energy: 1.1160695089957846
Energy: 1.1119511749398128
Energy: 1.1118196438861963
Energy: 1.212356843753119
Energy: 1.1118196439090513
Energy: 1.1085361792581505
Energy: 1.1195434740732386
Energy: 1.4222484925792647
Energy: 1.1195434740755243
Energy: 1.1097857937402604
Energy: 1.1212358095301425
Energy: 1.1093772291696755
Energy: 1.121235809532428
Energy: 1.5741392209119514
Energy: 1.1111796663363245
Energy: 1.1073485086971597
Energy: 1.1111796663374673

minimum gb energy = 1.0953963967448503 eV
minimum distance =  2.26117250172206 Angstroms
sigma value = 37


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

Energy: 1.3389645532700518
Energy: 1.1435359899401842
Energy: 1.305848168735873
Energy: 1.343714519352489
Energy: 1.051217820743998
Energy: 1.0709835325145334
Energy: 1.0659250207202209
Energy: 1.0709835325159185
Energy: 1.0653215357143728
Energy: 1.0728913613435394
Energy: 1.283316213939403
Energy: 1.0728913613447237
Energy: 1.0631483629084721
Energy: 1.0717794609130507
Energy: 1.2834241953999992
Energy: 1.0717794609146145
Energy: 1.1849959164224455
Energy: 1.12750826217632
Energy: 1.1244397302427707
Energy: 1.1275082621769232
Energy: 1.2174187519389348
Energy: 1.0412449617200437
Energy: 1.072071084019862
Energy: 1.0412449617196415
Energy: 1.1434781596349173
Energy: 1.0405830191564
Energy: 1.068036354181098
Energy: 1.0405830191575842
Energy: 1.1899914782516554
Energy: 1.029628375475971
Energy: 1.0757002911663733
Energy: 1.0296283754734017
Energy: 1.1157150911019218
Energy: 1.0208182399606878
Energy: 1.1136894285801158
Energy: 1.0208182399610901
Energy: 1.1145802000267506
Energy: 1.0200121806783773
Energy: 1.1163184486714357
Energy: 1.0200121806785785
Energy: 1.1689608476006093
Energy: 1.1154997101246562
Energy: 1.1895584442538947
Energy: 1.1154997101287893
Energy: 1.0756452912593568
Energy: 1.0406581089993694
Energy: 1.2183995574246171
Energy: 1.0406581089987663
Energy: 1.0717668856333433
Energy: 1.040937578870564
Energy: 1.2171573789976458
Energy: 1.0409375788701618
Energy: 1.1247348212924417
Energy: 1.0598533043768135
Energy: 1.1843829511266264
Energy: 1.0598533043019471
Energy: 1.2111457724546186
Energy: 1.0710292174797262
Energy: 1.064188593233974
Energy: 1.0710292174793241
Energy: 1.132062060674005
Energy: 1.0717593053883807
Energy: 1.065554612952396
Energy: 1.0717593053881798
Energy: 1.1980626028632697
Energy: 1.0871214178299133
Energy: 1.065243655756169
Energy: 1.0871214178240152
Energy: 1.0655412796658088
Energy: 1.0802259569748247
Energy: 1.191236594590807
Energy: 1.0802259569724564
Energy: 1.0653497536679428
Energy: 1.0726367863105353
Energy: 1.1915550028869324
Energy: 1.0726367863105353
Energy: 1.0648224907793562
Energy: 1.072127739622022
Energy: 1.0656348883092472
Energy: 1.0721277396226252

minimum gb energy = 1.0200121806783773 eV
minimum distance =  2.25577695190736 Angstroms
sigma value = 25


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

Energy: 1.3225691358421812
Energy: 1.0523090048087977
Energy: 1.185164196974631
Energy: 1.210083340017357
Energy: 0.978376365166993
Energy: 0.9924594328728703
Energy: 1.0307322280006281
Energy: 0.992459376272407
Energy: 0.9927099174489961
Energy: 0.9992118904325166
Energy: 1.1509831941564954
Energy: 0.9992118904325166
Energy: 0.9918248413313219
Energy: 0.9985261795256042
Energy: 1.1392247999907392
Energy: 0.9985261795256042
Energy: 1.0303486571038998
Energy: 0.9842740160487518
Energy: 1.031102213941254
Energy: 0.9842740419535451
Energy: 1.1419474259051998
Energy: 0.963534382008061
Energy: 0.9831975707426541
Energy: 0.963534382008061
Energy: 1.1415242649831567
Energy: 0.9637876157111209
Energy: 0.9830930696332043
Energy: 0.9637876157111209
Energy: 1.0696779989058547
Energy: 1.052632645565605
Energy: 1.0843451644815558
Energy: 1.052632645565605
Energy: 1.001654894884674
Energy: 0.9305329774101962
Energy: 1.1064406378084424
Energy: 0.9305329774086611
Energy: 1.0082854553391478
Energy: 0.9292376586688509
Energy: 1.1066223511566242
Energy: 0.9292376586688509
Energy: 1.0410857220466032
Energy: 1.0747688080204516
Energy: 1.0750728762541863
Energy: 1.0747688080050994
Energy: 1.044859142541744
Energy: 0.9188379472405602
Energy: 1.0463135309114315
Energy: 0.9188379472420956
Energy: 1.0570768058492113
Energy: 0.9215849904108203
Energy: 1.0428477430561827
Energy: 0.9215849904123556
Energy: 1.0751432056327024
Energy: 0.9718314478300103
Energy: 1.0225135952898994
Energy: 0.9718314478361513
Energy: 1.1063838810405038
Energy: 0.9297983978371991
Energy: 1.0012730826479286
Energy: 0.9297983978371991
Energy: 1.1066608499822659
Energy: 0.9290131248755971
Energy: 1.0016626495662726
Energy: 0.9290131248755971
Energy: 0.989494041835082
Energy: 0.9710467687898291
Energy: 1.0694356887485763
Energy: 0.9710467687882939
Energy: 0.9824884478185784
Energy: 0.9637596308435228
Energy: 1.1057873820761706
Energy: 0.9637596308419876
Energy: 0.983281290136788
Energy: 0.9645285821519818
Energy: 1.1903274821610745
Energy: 0.9645285821519818
Energy: 1.030634336169562
Energy: 0.9951457737058648
Energy: 1.1091531279387863
Energy: 0.9951457737074001
Energy: 1.189821809426819
Energy: 1.0229340296429537
Energy: 0.9927956276288463
Energy: 1.022934029644489
Energy: 1.0306550776458714
Energy: 0.9997936964501359
Energy: 0.9927062432209655
Energy: 0.9997936964486007
Energy: 1.030691755849362
Energy: 0.9996533356804337
Energy: 1.0268221392772543
Energy: 0.9996533356804337
Energy: 0.9954905783057393
Energy: 1.0003798378137596
Energy: 1.191420531931006
Energy: 1.0003798378122244
Energy: 0.9932694457869351
Energy: 0.9968405898080368
Energy: 0.9921789316892129
Energy: 0.9968405898601999
Energy: 1.2300949912715384
Energy: 0.9990161147194145
Energy: 0.9927070679699389
Energy: 0.9990161147178792

minimum gb energy = 0.9188379472405602 eV
minimum distance =  2.26569020110937 Angstroms
sigma value = 41


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

Energy: 1.2564484488438818
Energy: 0.9756791383320552
Energy: 1.081587189825593
Energy: 1.1012234783971815
Energy: 0.9146181171931252
Energy: 0.9234348822975635
Energy: 0.9122849872898446
Energy: 0.9234348822963048
Energy: 0.9280573105046372
Energy: 0.9316955392981725
Energy: 0.9153155257365935
Energy: 0.9316955393384205
Energy: 0.9271955569890848
Energy: 0.9312283334767348
Energy: 0.9168391510434726
Energy: 0.9312283334754763
Energy: 0.9150312396174627
Energy: 0.9147773422620693
Energy: 0.9123618935439419
Energy: 0.9147773422671038
Energy: 0.9146601728745501
Energy: 0.9010548103600039
Energy: 0.9126303822291123
Energy: 0.9010548103612623
Energy: 0.9187241961337405
Energy: 0.9005758050598647
Energy: 0.9133222855597287
Energy: 0.9005758050598647
Energy: 0.9474447758391794
Energy: 0.9402034382230432
Energy: 0.9411830545629667
Energy: 0.9402034382217844
Energy: 0.9204784653941085
Energy: 0.8668735129379678
Energy: 0.9552328148123952
Energy: 0.8668735129379678
Energy: 0.9268635920486847
Energy: 0.8656313169261938
Energy: 1.0586355375400687
Energy: 0.8656313169261938
Energy: 0.953911241255476
Energy: 1.0276108632511807
Energy: 0.9918134806337373
Energy: 1.0276108632272951
Energy: 1.0310324208186137
Energy: 0.8475076941728786
Energy: 0.9413768057168513
Energy: 0.8475076941741374
Energy: 1.0047069418048813
Energy: 0.8501818594822802
Energy: 0.9470360422562517
Energy: 0.8501818594822802
Energy: 0.9925122126170488
Energy: 0.8433897321640197
Energy: 0.9783129516231888
Energy: 0.8433897321640197
Energy: 0.9828167280485791
Energy: 0.8409616391270643
Energy: 0.9801384126849302
Energy: 0.8409616391270643
Energy: 0.9826374408586993
Energy: 0.8414463038847698
Energy: 0.9815242236740618
Energy: 0.8414463038847698
Energy: 0.9555626776145959
Energy: 0.8494814909085188
Energy: 0.9922248945210868
Energy: 0.8494814909047429
Energy: 0.94611123924467
Energy: 0.8475346985532156
Energy: 1.031793423736161
Energy: 0.8475346985519572
Energy: 0.9604294239283493
Energy: 0.8486405060674267
Energy: 1.031482187289586
Energy: 0.8486405060686855
Energy: 0.9878470386401129
Energy: 0.8665632097382248
Energy: 0.9449441087651533
Energy: 0.8665632097420009
Energy: 0.9429785705030129
Energy: 0.8662889015258964
Energy: 0.9178768023431534
Energy: 0.8662889015258964
Energy: 0.9362477889037465
Energy: 0.8657797437896826
Energy: 0.9476510685454341
Energy: 0.8657797437884239
Energy: 0.9225634735777867
Energy: 0.9007728721693719
Energy: 0.9867878269011171
Energy: 0.9007728721681132
Energy: 0.9156359405860459
Energy: 0.9003944001297255
Energy: 0.9352786663241213
Energy: 0.9003944001297255
Energy: 0.9144515972549686
Energy: 0.9024123702757508
Energy: 0.9132262709225797
Energy: 0.9024123702744922
Energy: 0.9546325114679632
Energy: 0.9318615110803199
Energy: 0.9285801941998597
Energy: 0.9318615110790613
Energy: 0.9576262160360244
Energy: 0.9322395823779392
Energy: 0.9327092555620341
Energy: 0.9322395823791979
Energy: 0.9126831470947269
Energy: 1.0212825090096973
Energy: 0.9288853594864216
Energy: 1.0212825090134448
Energy: 0.9304841148651067
Energy: 0.9315772798796553
Energy: 0.9095155663559001
Energy: 0.931577279880914
Energy: 0.9267616426402652
Energy: 0.9327985881231017
Energy: 0.9109760411967163
Energy: 0.9327985881243602
Energy: 0.9278585597649937
Energy: 0.924780432122761
Energy: 0.9284874333300698
Energy: 0.9247804321517096
Energy: 0.9059488714376065
Energy: 0.9312949119180086
Energy: 0.930622655302644
Energy: 0.9312949119180086

minimum gb energy = 0.8409616391270643 eV
minimum distance =  2.26507280880294 Angstroms
sigma value = 15


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

Energy: 1.0389036853563176
Energy: 0.8787400712032495
Energy: 1.0396615746783646
Energy: 1.0006052292544159
Energy: 0.8591443437191176
Energy: 0.8646498793827084
Energy: 0.8616440510923506
Energy: 0.8646498792910597
Energy: 0.8806618394551136
Energy: 0.8749853014351195
Energy: 0.8520432349741223
Energy: 0.8749853014351195
Energy: 0.8689539586931622
Energy: 0.8739822938301998
Energy: 0.8556465574710447
Energy: 0.8739822938312659
Energy: 0.857951660741243
Energy: 0.8593894978555306
Energy: 0.8582019996190763
Energy: 0.8593894997941597
Energy: 0.8649052374917421
Energy: 0.8455065681462816
Energy: 0.8547587695143005
Energy: 0.8455065681473477
Energy: 0.8781093634556415
Energy: 0.8463259259450907
Energy: 0.8604523556364996
Energy: 0.8463259259450907
Energy: 0.8832133932378532
Energy: 0.9037987901121365
Energy: 0.8751279209057966
Energy: 0.9037987901004078
Energy: 0.8583344769330848
Energy: 0.8151609944642307
Energy: 0.860526929475893
Energy: 0.8151609944642307
Energy: 0.8634620652277846
Energy: 0.8142575951547822
Energy: 0.8867268768222604
Energy: 0.8142575951537159
Energy: 0.8879922481079985
Energy: 0.8914608986976985
Energy: 0.9126724885895273
Energy: 0.8914608986881023
Energy: 1.0040007705916774
Energy: 0.7940999897684351
Energy: 0.8677755900494506
Energy: 0.7940999897684351
Energy: 0.9222547768479018
Energy: 0.7967620836354078
Energy: 0.8748748451813783
Energy: 0.7967620836354078
Energy: 0.9239738524023208
Energy: 0.7828438216929153
Energy: 0.8940677797529706
Energy: 0.7828438216918491
Energy: 0.8950383123758526
Energy: 0.7838858423442642
Energy: 0.9682957528173773
Energy: 0.7838858423442642
Energy: 0.898323654213014
Energy: 0.7857975653410613
Energy: 0.9215425698122215
Energy: 0.7857975653410613
Energy: 0.9317483901395166
Energy: 0.7882591920468919
Energy: 0.9217658328481997
Energy: 0.788259192047958
Energy: 0.9352263040370133
Energy: 0.7795527020412054
Energy: 0.9265260937704303
Energy: 0.7795527020412054
Energy: 0.9223477628734627
Energy: 0.7874689847421539
Energy: 0.931323135158535
Energy: 0.7874689847432201
Energy: 0.9220177791541384
Energy: 0.7878948995312456
Energy: 0.9022517808754181
Energy: 0.7878948995312456
Energy: 0.9676798005980214
Energy: 0.7843782593943168
Energy: 0.8959256039504861
Energy: 0.7843782593932505
Energy: 0.9653363130823918
Energy: 0.7831899407452821
Energy: 0.9223800986507333
Energy: 0.7831899407452821
Energy: 0.8839652022690938
Energy: 0.7950077276645398
Energy: 0.9184553664400634
Energy: 0.7950077276645398
Energy: 0.8679491345373533
Energy: 0.7939912961822101
Energy: 0.9471991171117611
Energy: 0.7939912961843426
Energy: 0.9122048930899707
Energy: 0.9267488447388978
Energy: 0.8882033295844579
Energy: 0.9267488447410303
Energy: 0.9136754574514772
Energy: 0.8155837357053721
Energy: 0.8600626092240435
Energy: 0.8155837357043058
Energy: 0.888746719801709
Energy: 0.8147489517919556
Energy: 0.8578331414805724
Energy: 0.8147489517919556
Energy: 0.875406395875325
Energy: 0.9045706260118548
Energy: 0.8843255328069378
Energy: 0.9045706260033733
Energy: 0.8548557115397554
Energy: 0.8465558681430078
Energy: 0.870714031178593
Energy: 0.8465558681430078
Energy: 0.862145114407279
Energy: 0.8454411968673046
Energy: 0.8590840950257184
Energy: 0.8454411968673046
Energy: 0.8604873898573242
Energy: 0.8842001062290534
Energy: 0.9077240777118444
Energy: 0.8842001052815485
Energy: 0.8730493674243205
Energy: 0.8744559271544556
Energy: 0.8688510045376471
Energy: 0.8744559271544556
Energy: 0.8750314202190043
Energy: 0.8737793115084936
Energy: 0.8787808628807876
Energy: 0.8737793115052948
Energy: 0.8585888024176463
Energy: 0.8634592225521135
Energy: 0.8720940769784775
Energy: 0.8634592225563785
Energy: 0.999845417887486
Energy: 0.8693003932056581
Energy: 0.8740785488320509
Energy: 0.8693003932035257
Energy: 0.8693456693394811
Energy: 0.8759125928795229
Energy: 0.8556574247084968
Energy: 0.8759125928795229
Energy: 0.8536883043554756
Energy: 0.8756913454593671
Energy: 0.8747022608139937
Energy: 0.8756913454572346

minimum gb energy = 0.7795527020412054 eV
minimum distance =  2.26544557896775 Angstroms
sigma value = 85


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

Energy: 1.0092484282191179
Energy: 0.78834478837018
Energy: 0.8866844669044216
Energy: 0.8996859620888664
Energy: 0.7544314502153665
Energy: 0.7669796426496056
Energy: 0.7644941439881019
Energy: 0.766979642647756
Energy: 0.7681352421978244
Energy: 0.7696101779827695
Energy: 0.800341559300839
Energy: 0.769610177981845
Energy: 0.7679205860865622
Energy: 0.7699660993071461
Energy: 0.7784426640863892
Energy: 0.7699660993071461
Energy: 0.7948423642115221
Energy: 0.795441195897365
Energy: 0.7641369922438944
Energy: 0.795441195889967
Energy: 0.7526044771444969
Energy: 0.7529985499933121
Energy: 0.7648563331924597
Energy: 0.7529985499942369
Energy: 0.7565154129730678
Energy: 0.7531174148898193
Energy: 0.764505834663348
Energy: 0.7531174148898193
Energy: 0.7959898524333331
Energy: 0.7980281364110419
Energy: 0.7655545992412018
Energy: 0.7980281364110419
Energy: 0.7719440131808953
Energy: 0.7335715470051279
Energy: 0.7571602827886803
Energy: 0.7335715470051279
Energy: 0.772446989306356
Energy: 0.7330184809915334
Energy: 0.7570873193518203
Energy: 0.7330184809915334
Energy: 0.7750856139581807
Energy: 0.8296790061217286
Energy: 0.8266970827293769
Energy: 0.8296790061235781
Energy: 0.8543146769859962
Energy: 0.7220159988318058
Energy: 0.7900492043131506
Energy: 0.7220159988318058
Energy: 0.8378273340414246
Energy: 0.7236057431738995
Energy: 0.8051649830771052
Energy: 0.7236057431738995
Energy: 0.8372802598193787
Energy: 0.7174271989115738
Energy: 0.8164634078791574
Energy: 0.7174271989115738
Energy: 0.8157933842610049
Energy: 0.7163797704072994
Energy: 0.9202189169283536
Energy: 0.7163797704063747
Energy: 0.8280406481569925
Energy: 0.7180692384429309
Energy: 0.847600470696659
Energy: 0.7180692384429309
Energy: 0.9038274445139428
Energy: 0.7158910729942035
Energy: 0.8480023618610676
Energy: 0.7158910729951283
Energy: 0.9060002960138147
Energy: 0.7140642494788316
Energy: 0.8434034899756594
Energy: 0.7140642494779069
Energy: 0.8523355998355596
Energy: 0.714783216972006
Energy: 0.8515303274241192
Energy: 0.7147832169729308
Energy: 0.8520716594115374
Energy: 0.7151105539786871
Energy: 0.8788473017438234
Energy: 0.7151105539786871
Energy: 0.8723748968474114
Energy: 0.7161482456969133
Energy: 0.8733577061303541
Energy: 0.7161482456969133
Energy: 0.8392928216795362
Energy: 0.713860438459886
Energy: 0.8525767280828008
Energy: 0.7138604384608108
Energy: 0.8474974915647203
Energy: 0.7143881067553532
Energy: 0.8543287279065438
Energy: 0.7143881067553532
Energy: 0.8437759989458744
Energy: 0.7146777378765394
Energy: 0.9050774490824914
Energy: 0.7146777378774642
Energy: 0.8482295964278643
Energy: 0.9024938523516342
Energy: 0.8303918379072143
Energy: 0.9024938523534836
Energy: 0.9211896374648032
Energy: 0.7171985395117734
Energy: 0.8171404969330667
Energy: 0.717198539512698
Energy: 0.8611195456600503
Energy: 0.717026762379268
Energy: 0.8142695959015264
Energy: 0.7170267623811176
Energy: 0.8150331894253082
Energy: 0.8157060836875196
Energy: 0.8370942043830413
Energy: 0.8157060836875196
Energy: 0.7939589882100171
Energy: 0.7217722767619342
Energy: 0.7752430129565315
Energy: 0.7217722767600848
Energy: 0.7898782595731341
Energy: 0.7227517839343648
Energy: 0.7753243095047517
Energy: 0.7227517839343648
Energy: 0.827081096074664
Energy: 0.7750374262420575
Energy: 0.7750520144728023
Energy: 0.7750374262411327
Energy: 0.8368301517822233
Energy: 0.7325018509518305
Energy: 0.7731070013219258
Energy: 0.7325018509527553
Energy: 0.7646718818374806
Energy: 0.7345906282912253
Energy: 0.773798743970785
Energy: 0.73459062829215
Energy: 0.7659942822728957
Energy: 0.7936037397599712
Energy: 0.8248329214051354
Energy: 0.7936037398884705
Energy: 0.7709342381378052
Energy: 0.7520474436326826
Energy: 0.8478175992380471
Energy: 0.7520474436317578
Energy: 0.7653178514590991
Energy: 0.75466434510534
Energy: 0.7660736568412916
Energy: 0.75466434510534
Energy: 0.7841709640881791
Energy: 0.7678325223078862
Energy: 0.794891122968588
Energy: 0.767832522308811
Energy: 0.7686822483520326
Energy: 0.7688479641774024
Energy: 0.768976714620606
Energy: 0.7688479641755528
Energy: 0.7652925689515171
Energy: 0.7854278292766562
Energy: 0.7679079887789718
Energy: 0.7854278292757314
Energy: 0.7641903186721776
Energy: 0.7683745866032891
Energy: 0.8223413444546146
Energy: 0.7683745866042139
Energy: 0.7676818727010277
Energy: 0.7702070232535017
Energy: 0.7822669138105445
Energy: 0.7702070232553511
Energy: 0.7676670057622655
Energy: 0.7702143209728941
Energy: 0.7681771109517932
Energy: 0.7702143210237347
Energy: 0.7833043638061395
Energy: 0.7690210384065524
Energy: 0.7676279572107453
Energy: 0.7690210384056277

minimum gb energy = 0.713860438459886 eV
minimum distance =  2.26359781958523 Angstroms
sigma value = 113


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

Energy: 0.014035641538831198
Energy: 0.014131765339102069
Energy: 0.8614142038475586
Energy: 0.10371952037486964
Energy: 0.014757781219804821
Energy: 0.10417097734685987
Energy: 0.09270653732753704
Energy: 0.10417097734685987
Energy: 0.08974322838736873
Energy: 0.1042939686437992
Energy: 0.014730215653945587
Energy: 0.1042939686437992
Energy: 0.08982410127721856
Energy: 0.10496807666194587
Energy: 0.016147081478939476
Energy: 0.10496807666127446
Energy: 0.09077576113571106
Energy: 0.10368743952800175
Energy: 0.09170097308159798
Energy: 0.10368743952800175
Energy: 0.01461433452581176
Energy: 0.10636289491061218
Energy: 0.08947771760879583
Energy: 0.1063628949113231

minimum gb energy = 0.014035641538831198 eV
minimum distance =  2.44460861950521 Angstroms
sigma value = 1