Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
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=3.678452149033547
cohesive_energy=4.224994686759812
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1e-07 eV

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

Energy: 0.015770174578034986
Energy: 0.016323713877786823
Energy: 0.01577515030645079
Energy: 0.016323713877786823
Energy: 0.01632371387718106
Energy: 1.453081889045189
Energy: 0.01632371387718106
Energy: 1.453081889045189
Energy: 0.01577515030645079
Energy: 0.01632371387718106
Energy: 0.015770174578034986
Energy: 0.01632371387718106
Energy: 0.016323713877786823
Energy: 1.453081889045189
Energy: 0.01632371387718106
Energy: 1.453081889045189

minimum gb energy = 0.015770174578034986 eV
minimum distance =  2.55142189473003 Angstroms
sigma value = 1


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

Energy: 0.9773070507035204
Energy: 1.232322396374655
Energy: 0.7899751249744293
Energy: 1.232322396374655
Energy: 0.9420389625154698
Energy: 1.113556521683449
Energy: 0.8767829957630813
Energy: 1.113556521683449
Energy: 0.8641404921057063
Energy: 1.223127717590875
Energy: 0.9354855767924363
Energy: 1.223127717590875
Energy: 0.8614309377632374
Energy: 1.2327746611870938
Energy: 0.9393511371605335
Energy: 1.2327746611870938
Energy: 0.9334140948342915
Energy: 1.234428145799085
Energy: 0.9501337530977904
Energy: 1.234428145799085
Energy: 0.8805632528104139
Energy: 1.1139397601541305
Energy: 0.9333082463991738
Energy: 1.1139397601555998
Energy: 0.944297299720322
Energy: 1.2214359679886722
Energy: 0.8803229927654377
Energy: 1.2214359679886722
Energy: 0.7974768446955693
Energy: 1.2356772563705967
Energy: 0.9274932070755569
Energy: 1.2356772563705967
Energy: 0.9392068392540264
Energy: 1.3430183175151666
Energy: 0.9364210036487748
Energy: 1.3430183175180384
Energy: 0.9451048577388468
Energy: 1.2227795515002964
Energy: 0.7792302033122924
Energy: 1.2227795515010311
Energy: 0.8125030423056356
Energy: 1.1096580350558787
Energy: 0.9389341430067855
Energy: 1.1096580350558787
Energy: 0.8530361954514926
Energy: 1.236582444465145
Energy: 0.9621620807952059
Energy: 1.236582444465145
Energy: 0.8762558289709745
Energy: 1.2212524760467942
Energy: 0.9442958305467002
Energy: 1.221252476047529
Energy: 0.9360655627517549
Energy: 1.221106446159754
Energy: 0.945368915605464
Energy: 1.221106446160489
Energy: 0.9357175450534448
Energy: 1.2346211281604647
Energy: 0.9332328939701684
Energy: 1.2346211281597301
Energy: 0.9341546171273624
Energy: 1.2329906634983177
Energy: 0.934504786525054
Energy: 1.2329906634990524
Energy: 0.9349228554526814
Energy: 1.2230096859726531
Energy: 0.8657839501093225
Energy: 1.2230096859726531
Energy: 0.8791694585969831
Energy: 1.102276494269953
Energy: 0.9336409847056153
Energy: 1.1022764942692183
Energy: 0.7817915829065687
Energy: 1.2354396521300737
Energy: 0.965775537176982
Energy: 1.2354396521300737
Energy: 0.8798541715116369
Energy: 1.3037233045770262
Energy: 0.939997143494654
Energy: 1.3037233045843728
Energy: 0.9400406192738394
Energy: 1.2232547295820526
Energy: 0.8213342730081367
Energy: 1.2232547295827871
Energy: 0.9397737294196593
Energy: 0.9386905853462013
Energy: 0.8618098099664326
Energy: 0.9386905853454667
Energy: 0.9476096733304707
Energy: 1.2343831084249288
Energy: 0.8651175087077284
Energy: 1.2343831084234596
Energy: 0.9349081998257429
Energy: 1.224024688886015
Energy: 0.8805509967078168
Energy: 1.224024688886015
Energy: 0.8800104190921693
Energy: 1.1119149518821891
Energy: 0.9437330548404596
Energy: 1.1119149518799851
Energy: 0.9277916381822814
Energy: 1.2365402833627432
Energy: 0.7961920895322245
Energy: 1.2365402833627432
Energy: 0.9361266393946442
Energy: 1.4426927136212009
Energy: 0.938954222216928
Energy: 1.4426927136212009
Energy: 0.7786477857345452
Energy: 1.221444123769903
Energy: 0.9326767049762762
Energy: 1.2214441237706375
Energy: 0.9417536503671758
Energy: 1.233224942970345
Energy: 0.8746673534614391
Energy: 1.233224942970345
Energy: 0.9426699072462473
Energy: 1.2332650589364802
Energy: 0.8529839649516936
Energy: 1.2332650589357455
Energy: 0.9466078900844044
Energy: 1.2197496520697322
Energy: 0.8759326183252272
Energy: 1.2197496520697322
Energy: 0.9412714175473589
Energy: 1.2249220377940828
Energy: 0.9360431238212299
Energy: 1.2249220377940828
Energy: 0.9328180379423301
Energy: 1.2323023907324444
Energy: 0.9410284364332749
Energy: 1.2323023907317094

minimum gb energy = 0.7786477857345452 eV
minimum distance =  2.2875001822021 Angstroms
sigma value = 1


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

Energy: 1.0806953199145988
Energy: 1.3327283424487775
Energy: 0.8649920661744711
Energy: 1.3327283424487775
Energy: 1.0209560018309107
Energy: 1.2104492627922765
Energy: 0.9523098354171575
Energy: 1.2104492627956271
Energy: 0.8562655608204665
Energy: 1.3364786242936122
Energy: 1.0421702811202287
Energy: 1.3364786242936122
Energy: 1.0319102988531912
Energy: 1.2044186478544276
Energy: 0.9683784426173666
Energy: 1.2044186478552654
Energy: 1.0327669454487487
Energy: 1.3149684450757426
Energy: 1.028527653757206
Energy: 1.3149684450757426
Energy: 0.9291323142573942
Energy: 1.3151756859652188
Energy: 0.992556226931202
Energy: 1.3151756859668944
Energy: 1.0294345029721546
Energy: 1.0354414994618475
Energy: 1.033096060971534
Energy: 1.035441499467711
Energy: 0.855617840832434
Energy: 1.3366403033286858
Energy: 0.9535854301597336
Energy: 1.3366403033311987
Energy: 1.0235730186797376
Energy: 1.4110526607595586
Energy: 0.882482208934572
Energy: 1.4110526607603964
Energy: 1.0479886431977927
Energy: 1.3364802990015674
Energy: 0.8688017029149955
Energy: 1.3364802990015674
Energy: 1.0299853081821881
Energy: 1.189411342141279
Energy: 0.9644712102266996
Energy: 1.1894113421404413
Energy: 0.9432700172824482
Energy: 1.3226673166365488
Energy: 1.042899893679997
Energy: 1.3226673166373863
Energy: 1.0267947349908768
Energy: 1.3136463599685182
Energy: 0.9892626619931623
Energy: 1.313646359966843
Energy: 1.019641242371695
Energy: 1.3135134918505322
Energy: 1.0285984074513002
Energy: 1.3135134918530453
Energy: 0.9426939697938996
Energy: 1.322549811681645
Energy: 0.9566792890192182
Energy: 1.322549811677457
Energy: 1.0301965330393577
Energy: 1.1889945929577412
Energy: 1.0337267850483496
Energy: 1.1889945929577412
Energy: 1.0480194138985124
Energy: 1.3364497933163848
Energy: 0.8504380054411366
Energy: 1.3364497933163848
Energy: 1.0234755925911856
Energy: 1.4112561341904604
Energy: 0.8832742731484157
Energy: 1.4112561341904604
Energy: 0.8556073847041327
Energy: 1.3371718004548994
Energy: 0.9548939699156681
Energy: 1.3371718004548994
Energy: 1.029856403518742
Energy: 1.0353215961288864
Energy: 0.9619556040034484
Energy: 1.0353215961230229
Energy: 0.9464579790069467
Energy: 1.315191853470351
Energy: 1.0396300224214545
Energy: 1.3151918534661629
Energy: 1.032739047659507
Energy: 1.3149564897021953
Energy: 0.9497877342025012
Energy: 1.3149564897005197
Energy: 1.0318356588900814
Energy: 1.1999201443977532
Energy: 1.033260437858892
Energy: 1.199920144400266
Energy: 0.856239337143844
Energy: 1.336146250796744
Energy: 1.0059951115450427
Energy: 1.3361462507959065
Energy: 1.0213243131380945
Energy: 1.2104064811508695
Energy: 0.9523610661376302
Energy: 1.2104064811491941
Energy: 1.0806953199179492
Energy: 1.3327283424487775
Energy: 0.8503238881218115
Energy: 1.3327283424487775
Energy: 1.0209560018309107
Energy: 1.210449262791439
Energy: 0.952309835417995
Energy: 1.210449262793952
Energy: 0.8562655608196288
Energy: 1.3364786242936122
Energy: 1.0421702811210665
Energy: 1.3364786242936122
Energy: 1.0319102988531912
Energy: 1.2044186478535903
Energy: 0.9545994627457441
Energy: 1.2044186478552654

minimum gb energy = 0.8503238881218115 eV
minimum distance =  2.28841546058208 Angstroms
sigma value = 25


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

Energy: 1.2086460209799113
Energy: 1.4382775288225145
Energy: 0.9643646365145434
Energy: 1.4382775288225145
Energy: 1.0594712458392759
Energy: 1.2256251347649005
Energy: 1.148845955259749
Energy: 1.2256251347649005
Energy: 0.9527913804773591
Energy: 1.4656108618912471
Energy: 1.1683632977357934
Energy: 1.4656108618902735
Energy: 1.14368259576914
Energy: 1.1508484668085828
Energy: 1.070303350935426
Energy: 1.150848466702489
Energy: 1.0570805277706827
Energy: 1.4395961346229444
Energy: 1.0136837397313732
Energy: 1.4395961346229444
Energy: 1.0661436753512363
Energy: 1.4597209488777216
Energy: 1.0661009887922097
Energy: 1.4597209488777216
Energy: 1.0746096537093175
Energy: 1.157566336655535
Energy: 1.0957538115421341
Energy: 1.157566336655535
Energy: 0.9399367248428719
Energy: 1.4422087642049803
Energy: 0.9892111556917589
Energy: 1.4422087642040067
Energy: 1.0952423212217821
Energy: 1.3121098377647378
Energy: 1.0696759751173528
Energy: 1.3121098377647378
Energy: 1.1743276641387488
Energy: 1.459965201217796
Energy: 1.05698763822525
Energy: 1.459965201217796
Energy: 1.0585020332441157
Energy: 1.4376496158192997
Energy: 1.1379378907320796
Energy: 1.4376496158192997
Energy: 0.9809805823872206
Energy: 1.4376112144271311
Energy: 1.0597342493152457
Energy: 1.4376112144271311
Energy: 1.1676579565649026
Energy: 1.337341747948895
Energy: 1.055609116297213
Energy: 1.337341747948895
Energy: 1.1010815327644883
Energy: 1.1595362275279022
Energy: 1.1341168664479473
Energy: 1.1595362275288759
Energy: 0.9464950560800414
Energy: 1.4420715690905852
Energy: 0.9875672612009407
Energy: 1.4420715690905852
Energy: 1.076483830785975
Energy: 1.5700802478807987
Energy: 1.0587319618437578
Energy: 1.5700802478807987
Energy: 0.9505365730108538
Energy: 1.4655921117685728
Energy: 0.9524064899131998
Energy: 1.4655921117685728
Energy: 1.070626706874849
Energy: 1.3228799385724108
Energy: 1.0540722062821313
Energy: 1.3228799385724108
Energy: 1.1456860952837322
Energy: 1.336819161766257
Energy: 1.062516584970996
Energy: 1.336819161766257
Energy: 1.0640604793672737
Energy: 1.459901047573527
Energy: 1.1593723407196883
Energy: 1.459901047573527
Energy: 1.1718828375635324
Energy: 1.3162737907546778
Energy: 1.1448961251762866
Energy: 1.3162737907556514
Energy: 1.194344317520428
Energy: 1.4396117692767454
Energy: 1.0499497861388605
Energy: 1.4396117692767454
Energy: 1.061287089790767
Energy: 1.3255916849137344
Energy: 1.0601385998743742
Energy: 1.325591684914708
Energy: 0.9520537410606886
Energy: 1.4641845047350794
Energy: 1.1744735015611736
Energy: 1.4641845047350794
Energy: 1.050986132474662
Energy: 1.154968235164902
Energy: 1.0700515110717945
Energy: 1.1549682354159942

minimum gb energy = 0.9399367248428719 eV
minimum distance =  2.28429140174637 Angstroms
sigma value = 9


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

Energy: 1.342020234912361
Energy: 1.3385570620484004
Energy: 1.0878668980365356
Energy: 1.3385570620484004
Energy: 1.2484412143571877
Energy: 1.3931906201627717
Energy: 1.2944552839810899
Energy: 1.393190620167418
Energy: 1.1365433370261848
Energy: 1.3375703718864553
Energy: 1.204539202425403
Energy: 1.3375703718841323
Energy: 1.2284880321197673
Energy: 1.2679110431097238
Energy: 1.122730296521597
Energy: 1.2679110431108855
Energy: 1.2075759924373721
Energy: 1.4682374957438526
Energy: 1.1128526033964923
Energy: 1.4682374957438526
Energy: 1.0683743526002438
Energy: 1.3243075352876539
Energy: 1.1714429503105517
Energy: 1.3243075352864924
Energy: 1.3323043297472505
Energy: 1.1235486491868663
Energy: 1.1284500020776378
Energy: 1.1235486491868663
Energy: 1.0887686409541393
Energy: 1.3225875318555491
Energy: 1.1221196598541214
Energy: 1.3225875318613571
Energy: 1.3074683831182556
Energy: 1.3909227426682327
Energy: 1.2605140685735374
Energy: 1.390922750855044
Energy: 1.3294728641454128
Energy: 1.3265545959893799
Energy: 1.122315833266555
Energy: 1.3265545959882183
Energy: 1.1988844130881917
Energy: 1.407674025116411
Energy: 1.2039039363961581
Energy: 1.407674025115249
Energy: 1.2353909450628542
Energy: 1.3917845676267353
Energy: 1.123246792277123
Energy: 1.391784567627897
Energy: 1.0715902237775892
Energy: 1.3377809029618013
Energy: 1.0700861455271522
Energy: 1.3377809029769023
Energy: 1.1947643903354468
Energy: 1.3254542182636897
Energy: 1.3037830170237135
Energy: 1.3254542182625282
Energy: 1.071615718221648
Energy: 1.3372659225397052
Energy: 1.0877774549333974
Energy: 1.3372659225327619
Energy: 1.2181767731777742
Energy: 1.311709248754365
Energy: 1.122951063577337
Energy: 1.3117092487369408
Energy: 1.1988459137010907
Energy: 1.4079121724300303
Energy: 1.2048729030727134
Energy: 1.4079121724521007
Energy: 1.3301952522017388
Energy: 1.3263013835375346
Energy: 1.1224229352023598
Energy: 1.3263013835189752
Energy: 1.3147470952965707
Energy: 1.394215552728673
Energy: 1.1019285549790439
Energy: 1.3942155527263498
Energy: 1.088644142763007
Energy: 1.3234642431356942
Energy: 1.1223409092273324
Energy: 1.3234642431554413
Energy: 1.3330203623307428
Energy: 1.1238537051581348
Energy: 1.1286931321236173
Energy: 1.1238537051604578

minimum gb energy = 1.0683743526002438 eV
minimum distance =  2.36487268681785 Angstroms
sigma value = 25


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

Energy: 1.252271938152837
Energy: 1.7047900075155975
Energy: 1.243290544397288
Energy: 1.7047900075155975
Energy: 1.2278019057202614
Energy: 1.3502934664576105
Energy: 1.2031390134157014
Energy: 1.3502934664719761
Energy: 1.2285025314702138
Energy: 1.2601102214872273
Energy: 1.202987095057042
Energy: 1.260110221488664
Energy: 1.247095080714862
Energy: 1.2529895701054972
Energy: 1.2274356595816662
Energy: 1.2529895701083702
Energy: 1.2311951981522955
Energy: 1.2261652844529314
Energy: 1.2526922638089437
Energy: 1.2261652844529314
Energy: 1.208216843386592
Energy: 1.3979453345418893
Energy: 1.2071891522506262
Energy: 1.3979453345418893
Energy: 1.2529658569989075
Energy: 1.2537162892453824
Energy: 1.2035853851270333
Energy: 1.2537162892468192
Energy: 1.2275780490004016
Energy: 1.7034706764159426
Energy: 1.2460523019359413
Energy: 1.7034706764159426
Energy: 1.2030117812239813
Energy: 1.251909366685259
Energy: 1.2275715118682569
Energy: 1.251909366685259
Energy: 1.2885728235727345
Energy: 1.3723193059803005
Energy: 1.2046184385624956
Energy: 1.3723193059817373
Energy: 1.2055089758732684
Energy: 1.435640500174119
Energy: 1.2489983972435594
Energy: 1.435640500174119
Energy: 1.2030379885201476
Energy: 1.260080886234846
Energy: 1.2945057862455986
Energy: 1.260080886234846
Energy: 1.2443509423034622
Energy: 1.3727498899947213
Energy: 1.2059074143837731
Energy: 1.3727498899947213
Energy: 1.2031599197988474
Energy: 1.2830762086519167
Energy: 1.2478629502352085
Energy: 1.2830762086519167
Energy: 1.251645378389054
Energy: 1.704991730129311
Energy: 1.2323813064303109
Energy: 1.704991730129311
Energy: 1.225814748199437
Energy: 1.3726568452140775
Energy: 1.2033273101628934
Energy: 1.3726568452155141
Energy: 1.203421003439798
Energy: 1.3108391247059847
Energy: 1.292273996871027
Energy: 1.3108391247059847

minimum gb energy = 1.202987095057042 eV
minimum distance =  2.35695420116724 Angstroms
sigma value = 17


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

Energy: 1.4146319737357365
Energy: 1.41420104419462
Energy: 1.3213030237491479
Energy: 1.41420104419462
Energy: 1.316839657317215
Energy: 1.4051200021022587
Energy: 1.257051801981708
Energy: 1.4051200021022587
Energy: 1.3019173575660954
Energy: 1.3930266549694492
Energy: 1.2568612820803624
Energy: 1.393026654966195
Energy: 1.2621170776310024
Energy: 1.4301939410303304
Energy: 1.3520685290164765
Energy: 1.4301939410303304
Energy: 1.34588029520714
Energy: 1.5580160451192786
Energy: 1.313739408607965
Energy: 1.558016045118465
Energy: 1.2832955310188705
Energy: 1.4066030005206194
Energy: 1.2818807951592455
Energy: 1.4066030005206194
Energy: 1.2652226500483361
Energy: 1.400180414891533
Energy: 1.2573032000930844
Energy: 1.400180414891533
Energy: 1.2780870924428602
Energy: 1.4068000265625629
Energy: 1.2765595063576358
Energy: 1.4068000265617493
Energy: 1.2778066942079311
Energy: 1.35918333361481
Energy: 1.306115138516635
Energy: 1.3591833336139965
Energy: 1.3478594116427867
Energy: 1.3718037579742397
Energy: 1.2576029592770201
Energy: 1.3718037579742397
Energy: 1.2656486642949856
Energy: 1.407252623717942
Energy: 1.3045515010801945
Energy: 1.4072526237187555
Energy: 1.278729185703921
Energy: 1.406660379390771
Energy: 1.2790592463935937
Energy: 1.406660379390771
Energy: 1.3231937749330784
Energy: 1.407071814188138
Energy: 1.4162896414534223
Energy: 1.407071814188138
Energy: 1.2574235417823463
Energy: 1.3818686955189334
Energy: 1.3146676141695608
Energy: 1.3818686955189334
Energy: 1.3221893429980314
Energy: 1.4096639974423706
Energy: 1.2791811880005974
Energy: 1.4096639974423706
Energy: 1.3269084813762104
Energy: 1.4079286984434705
Energy: 1.2773740975981016
Energy: 1.407928698442657
Energy: 1.2583823314079043
Energy: 1.4606165328602914
Energy: 1.358425503363948
Energy: 1.4606165328602914
Energy: 1.3161585564547962
Energy: 1.3927534560823362
Energy: 1.2836236587009346
Energy: 1.3927534560815227
Energy: 1.3380026300509205
Energy: 1.4662491430242646
Energy: 1.3194251807711785
Energy: 1.466249143023451
Energy: 1.3389374392527595
Energy: 1.4310444425062832
Energy: 1.2625561767241542
Energy: 1.4310444425062832
Energy: 1.2783173183643128
Energy: 1.3937344950822335
Energy: 1.301692604615346
Energy: 1.393734495083047
Energy: 1.338375739409728
Energy: 1.373084077930195
Energy: 1.358185856705939
Energy: 1.373084077930195
Energy: 1.3224713071048868
Energy: 1.415716281586024
Energy: 1.2610519395856308
Energy: 1.415716281588465
Energy: 1.35847758837729
Energy: 1.3975020972001428
Energy: 1.3028130214900435
Energy: 1.3975020971993293
Energy: 1.414701256676421
Energy: 1.394131197911449
Energy: 1.3226214384801032
Energy: 1.394131197911449
Energy: 1.3706383919574063
Energy: 1.6338634049482494
Energy: 1.2621048364988374
Energy: 1.6338634049490632
Energy: 1.3400320642048753
Energy: 1.5512515328510408
Energy: 1.3940711233277343
Energy: 1.5512515328502272
Energy: 1.3012192444887078
Energy: 1.4071589287149007
Energy: 1.3029872239240998
Energy: 1.4071589287157142
Energy: 1.39401045278316
Energy: 1.4301434952925902
Energy: 1.2633781230284213
Energy: 1.4301434952925902
Energy: 1.2763918236401968
Energy: 1.4666181161154492
Energy: 1.3882786982372082
Energy: 1.4666181161146357

minimum gb energy = 1.2568612820803624 eV
minimum distance =  2.29734074505613 Angstroms
sigma value = 53


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

Energy: 1.2888686578839874
Energy: 1.2858358879616525
Energy: 1.3154148327741513
Energy: 1.2858358879635259
Energy: 1.3809895799621181
Energy: 1.389763514047043
Energy: 1.3027620523656422
Energy: 1.389763514047043
Energy: 1.2889681149669194
Energy: 1.4192504898941385
Energy: 1.3733203469593513
Energy: 1.4192504898960117
Energy: 1.2888500940854763
Energy: 1.4189960783969853
Energy: 1.320680157561438
Energy: 1.4189960783988584
Energy: 1.381520241941056
Energy: 1.3896610010513002
Energy: 1.2848708104819073
Energy: 1.3896610010513002
Energy: 1.2888686578839874
Energy: 1.2858358879635259
Energy: 1.3238193737439574
Energy: 1.2858358879635259
Energy: 1.3809894938861158
Energy: 1.389763514047043
Energy: 1.3203452678698897
Energy: 1.389763514047043
Energy: 1.2889681149669194
Energy: 1.4192504898941385
Energy: 1.3733496015100815
Energy: 1.4192504898960117
Energy: 1.2888500940873493
Energy: 1.4189960783969853
Energy: 1.3319763164452763
Energy: 1.4189960783988584
Energy: 1.381520241941056
Energy: 1.3896610010531731
Energy: 1.3001731682666757
Energy: 1.3896610010531731
Energy: 1.2888686578839874
Energy: 1.2858358879616525
Energy: 1.3238311149548847
Energy: 1.2858358879635259
Energy: 1.3809894971886452
Energy: 1.38976351404517
Energy: 1.3316588658217259
Energy: 1.389763514047043
Energy: 1.2889681149669194
Energy: 1.4192504898960117
Energy: 1.3733203469518591
Energy: 1.4192504898941385

minimum gb energy = 1.2848708104819073 eV
minimum distance =  2.3259061976989 Angstroms
sigma value = 9


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

Energy: 1.3810667996771264
Energy: 1.3873379707983142
Energy: 1.472226152880026
Energy: 1.3873379707983142
Energy: 1.4099597007698856
Energy: 1.4003777850587864
Energy: 1.3495168826037818
Energy: 1.4003777850594794
Energy: 1.300696648568625
Energy: 1.363133910070678
Energy: 1.3169017358336406
Energy: 1.3631339100713715
Energy: 1.3297234108370852
Energy: 1.4236700808434153
Energy: 1.3101556832948955
Energy: 1.4236700808434153
Energy: 1.4313870576652539
Energy: 1.4293997241868455
Energy: 1.3278316307526075
Energy: 1.4293997241861522
Energy: 1.366957416045893
Energy: 1.3642637008484269
Energy: 1.3076595869189953
Energy: 1.3642637008491203
Energy: 1.4456383374339894
Energy: 1.425628974194326
Energy: 1.3503110772157303
Energy: 1.4256289741950197
Energy: 1.3180675868870237
Energy: 1.4041830956721744
Energy: 1.374251105798743
Energy: 1.4041830956728674
Energy: 1.3033644272705502
Energy: 1.444428140400219
Energy: 1.3727652826795644
Energy: 1.444428140400219
Energy: 1.301719777013049
Energy: 1.3977138587953177
Energy: 1.3505784194288661
Energy: 1.397713858796011
Energy: 1.3198019203073068
Energy: 1.4194449147113615
Energy: 1.3769846023139223
Energy: 1.4194449147134411
Energy: 1.397863310668851
Energy: 1.414513382461009
Energy: 1.3057779698198804
Energy: 1.4145133826883283
Energy: 1.3028400850089152
Energy: 1.3782848996645747
Energy: 1.3882149152355154
Energy: 1.3782848996631885
Energy: 1.3345455010996419
Energy: 1.5881720660907974
Energy: 1.3856030743664771
Energy: 1.5881720660901044
Energy: 1.3522740209122657
Energy: 1.4040119144969034
Energy: 1.3558255625945905
Energy: 1.40401191449829
Energy: 1.3060970962140404
Energy: 1.445657442972578
Energy: 1.3143716617272847
Energy: 1.445657442972578
Energy: 1.3447686597978026
Energy: 1.4038234973518195
Energy: 1.352372826194311
Energy: 1.4038234973511263
Energy: 1.3224126328506776
Energy: 1.4245953217118161
Energy: 1.41606582170228
Energy: 1.424595321711123
Energy: 1.4326917142884732
Energy: 1.3777467316785998
Energy: 1.3689475228933072
Energy: 1.377746731679293
Energy: 1.3041231629097478
Energy: 1.413706766809186
Energy: 1.363925686676119
Energy: 1.4137067668098795
Energy: 1.3346210196965875
Energy: 1.4227402064140373
Energy: 1.3318288294385956
Energy: 1.422740206413344
Energy: 1.3651059466191555
Energy: 1.4233225172022261
Energy: 1.3014865804476095
Energy: 1.4233225172022261
Energy: 1.3700361539455692
Energy: 1.5107992747916337
Energy: 1.3036750135391872
Energy: 1.5107992747909402
Energy: 1.4357700031594582
Energy: 1.339650936632705
Energy: 1.3178230328328964
Energy: 1.3396509366354779
Energy: 1.3496454284802586
Energy: 1.3983063918191865
Energy: 1.4506756392697342
Energy: 1.3983063918157201
Energy: 1.306705008150573
Energy: 1.364451372610951
Energy: 1.3013555998975388
Energy: 1.364451372610258
Energy: 1.351194942806672
Energy: 1.4882004657375985
Energy: 1.3296198891536044
Energy: 1.488200465742451
Energy: 1.3733620662235562
Energy: 1.4225423320035322
Energy: 1.3302252783216546
Energy: 1.4225423320035322
Energy: 1.3228449163107199
Energy: 1.3645624204117954
Energy: 1.3004144742577493
Energy: 1.364562420411102
Energy: 1.349358510964773
Energy: 1.397406364732343
Energy: 1.443907808319119
Energy: 1.3974063647316497
Energy: 1.4570847981690846
Energy: 1.3847537956245062
Energy: 1.3171755036929116
Energy: 1.3847537956251994
Energy: 1.3629387183626276
Energy: 1.4259217657597587
Energy: 1.301652378869684
Energy: 1.4259217657597587
Energy: 1.349883113509767
Energy: 1.4219267039244603
Energy: 1.300943798542555
Energy: 1.4219267039251533
Energy: 1.3225213052997116
Energy: 1.4214210430516574
Energy: 1.3298149898965077
Energy: 1.4214210430530438
Energy: 1.337108282374368
Energy: 1.442235898623224
Energy: 1.4425400571350677
Energy: 1.4422358986246104

minimum gb energy = 1.3004144742577493 eV
minimum distance =  2.33226818925767 Angstroms
sigma value = 73


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

Energy: 1.3854252429200997
Energy: 1.3810911183672103
Energy: 1.3998361879192875
Energy: 1.3810911183672103
Energy: 1.352000356412704
Energy: 1.4848212819470235
Energy: 1.3633310782334755
Energy: 1.4848212819470235
Energy: 1.3152016108439926
Energy: 1.4676239723038689
Energy: 1.3098967190822732
Energy: 1.4676239723038689
Energy: 1.280653215956849
Energy: 1.4863025147198659
Energy: 1.3124643640205622
Energy: 1.4863025147198659
Energy: 1.2794505618535092
Energy: 1.4708039202127956
Energy: 1.3230555761874179
Energy: 1.4708039202127956
Energy: 1.3129372300231272
Energy: 1.4898162587641068
Energy: 1.315377394104202
Energy: 1.489816258741009
Energy: 1.4803160163003133
Energy: 1.5403139447599405
Energy: 1.3618304232328566
Energy: 1.5403139447610406
Energy: 1.279185866334712
Energy: 1.3802717141010992
Energy: 1.4017729096076081
Energy: 1.3802717141010992
Energy: 1.3644261774318314
Energy: 1.381516122791323
Energy: 1.3789970646886136
Energy: 1.381516122791323
Energy: 1.3591745532730364
Energy: 1.4189510356105348
Energy: 1.3587869679190359
Energy: 1.4189510356116346
Energy: 1.2731358271431554
Energy: 1.4892443705132115
Energy: 1.365522661907737
Energy: 1.4892443705143115
Energy: 1.3860722862853512
Energy: 1.4545235458242824
Energy: 1.2791560251288587
Energy: 1.4545235458242824
Energy: 1.3125822739640514
Energy: 1.4620966830259017
Energy: 1.397319086845478
Energy: 1.4620966830259017
Energy: 1.4630333995494522
Energy: 1.4614043695199859
Energy: 1.3135985501220948
Energy: 1.4614043695199859
Energy: 1.3294240218354376
Energy: 1.5538937119722376
Energy: 1.3840781133374416
Energy: 1.5538937119722376
Energy: 1.3654543906979724
Energy: 1.4910146225784535
Energy: 1.2796132418907802
Energy: 1.491014622580653
Energy: 1.3629691190881335
Energy: 1.359587470931178
Energy: 1.3147921908855194
Energy: 1.3595874709300781
Energy: 1.3796031675053488
Energy: 1.3830536334220647
Energy: 1.3137355995883118
Energy: 1.3830536334231645
Energy: 1.3313722292471737
Energy: 1.3802482587593596
Energy: 1.2781507599389683
Energy: 1.3802482587593596
Energy: 1.3631097985173295
Energy: 1.5542100244146837
Energy: 1.4809112983281405
Energy: 1.5542100244146837
Energy: 1.376410400430484
Energy: 1.3512255099512607
Energy: 1.31433135256657
Energy: 1.3512255099512607
Energy: 1.3620221796166077
Energy: 1.4655980047151858
Energy: 1.4000067914484746
Energy: 1.4655980047151858

minimum gb energy = 1.2731358271431554 eV
minimum distance =  2.34454957242798 Angstroms
sigma value = 7


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

Energy: 1.405195846298369
Energy: 1.4018475561679153
Energy: 1.3923347405700992
Energy: 1.4018475561718042
Energy: 1.4404770551285446
Energy: 1.4276054565204797
Energy: 1.3562569397815396
Energy: 1.427605456516591
Energy: 1.3315050212446247
Energy: 1.4615362458339167
Energy: 1.295117981780188
Energy: 1.4615362458331393
Energy: 1.2667125948263989
Energy: 1.4771574263367542
Energy: 1.3441106230954996
Energy: 1.4771574263390872
Energy: 1.3427419725256493
Energy: 1.4382631154959915
Energy: 1.3276225368855437
Energy: 1.4382631154967693
Energy: 1.3345862079969286
Energy: 1.4017197639147922
Energy: 1.3414399000916348
Energy: 1.4017197639147922
Energy: 1.4778488512966879
Energy: 1.405001546136132
Energy: 1.327381288979316
Energy: 1.4050015461322434
Energy: 1.3341470032360578
Energy: 1.4022948812332456
Energy: 1.3899937880332955
Energy: 1.4022948812301348
Energy: 1.3477580703438266
Energy: 1.4628242764567159
Energy: 1.3541001849833045
Energy: 1.4628242764559383
Energy: 1.33841215689925
Energy: 1.4329391077518079
Energy: 1.3801279912690778
Energy: 1.4329391077525857
Energy: 1.271084715125842
Energy: 1.4649998179413095
Energy: 1.291323274030222
Energy: 1.4649998179413095
Energy: 1.3647501736804406
Energy: 1.4396173069535245
Energy: 1.28878103230387
Energy: 1.439617306951191
Energy: 1.3993433955339356
Energy: 1.4023660875103325
Energy: 1.291859436862349
Energy: 1.402366087511888
Energy: 1.2954955375637793
Energy: 1.3903783860096723
Energy: 1.2882916957125425
Energy: 1.3903783860096723
Energy: 1.3373150767346589
Energy: 1.4389565795855381
Energy: 1.4703136505250085
Energy: 1.4389565795847603
Energy: 1.4722097122824462
Energy: 1.3905584291498143
Energy: 1.3517533762829814
Energy: 1.390558429147481
Energy: 1.3417279667571633
Energy: 1.4484069138750606
Energy: 1.33282594068543
Energy: 1.448406913878949
Energy: 1.3274350479661807
Energy: 1.4656665823255106
Energy: 1.2883989107129723
Energy: 1.4656665823239552
Energy: 1.3265348472044647
Energy: 1.4634926251899945
Energy: 1.2915983206272212
Energy: 1.4634926251899945
Energy: 1.3393074019126028
Energy: 1.438395130146644
Energy: 1.2891065457779396
Energy: 1.4383951301427553
Energy: 1.2705424846383602
Energy: 1.4285582577241704
Energy: 1.3548878599442973
Energy: 1.4285582577233926
Energy: 1.3411299908274692
Energy: 1.4615673674405254
Energy: 1.437124007247843
Energy: 1.4615673674467473
Energy: 1.4092152283885844
Energy: 1.3947306556308068
Energy: 1.3233925673413416
Energy: 1.3947306556339176
Energy: 1.4081271378597473
Energy: 1.402342534887107
Energy: 1.4355403477541016
Energy: 1.402342534887107
Energy: 1.3469548077874054
Energy: 1.4388795851251048
Energy: 1.3224676035125353
Energy: 1.4388795851212162
Energy: 1.2665177242116217
Energy: 1.4646371399385674
Energy: 1.2801453645293799
Energy: 1.4646371399354565
Energy: 1.33121571406822
Energy: 1.4282559187835262
Energy: 1.3123740192845543
Energy: 1.428255918784304
Energy: 1.2670566290645713
Energy: 1.4477690497857676
Energy: 1.3607048095045644
Energy: 1.4477690497873232
Energy: 1.3312018006324127
Energy: 1.401936468525748
Energy: 1.3578289300411337
Energy: 1.4019364685249704
Energy: 1.510296941392811
Energy: 1.3716488778482385
Energy: 1.356080381613802
Energy: 1.3716488778459055
Energy: 1.3311596411852948
Energy: 1.401830699316815
Energy: 1.4626236100487322
Energy: 1.4018306993121485

minimum gb energy = 1.2665177242116217 eV
minimum distance =  2.33626342061425 Angstroms
sigma value = 29


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

Energy: 1.3797824742925742
Energy: 1.349887545371126
Energy: 1.2958913635952811
Energy: 1.349887545371126
Energy: 1.2195826921746886
Energy: 1.3158676132894644
Energy: 1.3137550774602433
Energy: 1.31586761328525
Energy: 1.270260046357721
Energy: 1.4403453520180447
Energy: 1.296188834307165
Energy: 1.4403453520177738
Energy: 1.3143975665448604
Energy: 1.4248755709319296
Energy: 1.3156727303869717
Energy: 1.424875570933224
Energy: 1.3797209428467785
Energy: 1.4253452496565555
Energy: 1.3877686693800237
Energy: 1.4253452496562844
Energy: 1.1690825361145454
Energy: 1.4403834475114459
Energy: 1.1692108321421726
Energy: 1.4403834475114459
Energy: 1.2706614107758256
Energy: 1.42524266485973
Energy: 1.3797541108686089
Energy: 1.4252426648594594
Energy: 1.3155919196362682
Energy: 1.4248779059921186
Energy: 1.3143617409301964
Energy: 1.4248779059815535
Energy: 1.2964822336259216
Energy: 1.440303827132315
Energy: 1.2153151190461173
Energy: 1.440303827132044

minimum gb energy = 1.1690825361145454 eV
minimum distance =  2.36945086788528 Angstroms
sigma value = 5


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

Energy: 1.2411627503643436
Energy: 1.2579332677534913
Energy: 1.1697985259584478
Energy: 1.2579332677534913
Energy: 1.3526116011368
Energy: 1.2131601076151863
Energy: 1.1886290164775581
Energy: 1.2131601076151863
Energy: 1.1724533032109057
Energy: 1.2429848962403447
Energy: 1.3934624534790192
Energy: 1.2429848962396097
Energy: 1.158355207687879
Energy: 1.3061842888624642
Energy: 1.225130633483365
Energy: 1.3061842888624642
Energy: 1.2138557384179014
Energy: 1.3099657278950967
Energy: 1.385221077535654
Energy: 1.3099657278943622
Energy: 1.171245524617677
Energy: 1.2607558638801912
Energy: 1.2002136972271353
Energy: 1.2607558638809262
Energy: 1.172237796885141
Energy: 1.3097324966015353
Energy: 1.1744551179749383
Energy: 1.3097324966008004
Energy: 1.1902171752190296
Energy: 1.240083492158288
Energy: 1.1754907541301733
Energy: 1.2400834921575536
Energy: 1.2139260029195795
Energy: 1.3087307073441348
Energy: 1.173927369548133
Energy: 1.3087307073441348
Energy: 1.2093059631407281
Energy: 1.311151235259377
Energy: 1.1533610844885558
Energy: 1.311151235259377
Energy: 1.1937829422392299
Energy: 1.2875915542094578
Energy: 1.1744572321145517
Energy: 1.2875915542101926
Energy: 1.171973401871952
Energy: 1.3206885125671002
Energy: 1.2313083663431688
Energy: 1.3206885125671002
Energy: 1.1740988250468547
Energy: 1.259276499083096
Energy: 1.2536089787354108
Energy: 1.259276499082361
Energy: 1.2132472770516447
Energy: 1.258262872123897
Energy: 1.3505946884689322
Energy: 1.2582628721231626
Energy: 1.3664974898310043
Energy: 1.2072661979199082
Energy: 1.1736230333545927
Energy: 1.2072661979199082
Energy: 1.2195684210053452
Energy: 1.243578339824613
Energy: 1.1691666086094714
Energy: 1.2435783398253477
Energy: 1.3542339498722331
Energy: 1.2258201788054086
Energy: 1.1887824541864427
Energy: 1.2258201788061434
Energy: 1.1993110890889869
Energy: 1.258765953030725
Energy: 1.1942443413414134
Energy: 1.258765953030725
Energy: 1.1832009505090733
Energy: 1.3130561391561297
Energy: 1.1884058059353166
Energy: 1.3130561391561297
Energy: 1.1727114802259202
Energy: 1.2990453514911378
Energy: 1.1967522342407653
Energy: 1.2990453514896685
Energy: 1.1555209250532477
Energy: 1.288085710024803
Energy: 1.2079504615043812
Energy: 1.2880857100277419
Energy: 1.1976900911773518
Energy: 1.3099303841259677
Energy: 1.1962050990542523
Energy: 1.3099303841259677
Energy: 1.174489522286885
Energy: 1.249352019619006
Energy: 1.155346008212795
Energy: 1.2493520196182717
Energy: 1.2257548356486379
Energy: 1.3063035361184907
Energy: 1.1726100130210058
Energy: 1.3063035361184907
Energy: 1.2687718218400283
Energy: 1.247285364602637
Energy: 1.177770612023989
Energy: 1.247285364602637
Energy: 1.2105998714933184
Energy: 1.258275653318774
Energy: 1.1986907721971765
Energy: 1.2582756533180395
Energy: 1.2127788702742819
Energy: 1.1922463610524079
Energy: 1.204638499982553
Energy: 1.1922463610516731
Energy: 1.1498888374488756
Energy: 1.2795462645364903
Energy: 1.2198467202860064
Energy: 1.2795462645364903
Energy: 1.1893701500078442
Energy: 1.2131793926607446
Energy: 1.5136786159767528
Energy: 1.2131793926607446
Energy: 1.3380336706594316
Energy: 1.2591410837243593
Energy: 1.197687804288303
Energy: 1.2591410837243593
Energy: 1.1955479015909631
Energy: 1.2286132934166938
Energy: 1.3359006494088708
Energy: 1.228613293415959
Energy: 1.3854175869734682
Energy: 1.2505172870909909
Energy: 1.1719430247686629
Energy: 1.2505172870902561
Energy: 1.2207118385623141
Energy: 1.2866816301309711
Energy: 1.1587037409409597
Energy: 1.286681630139787

minimum gb energy = 1.1498888374488756 eV
minimum distance =  2.31122185205355 Angstroms
sigma value = 1


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

Energy: 1.196498710630066
Energy: 1.192437993994632
Energy: 1.1127943283533162
Energy: 1.1924379939936158
Energy: 1.1986842796206456
Energy: 1.25680347432499
Energy: 1.1551078755155637
Energy: 1.2568034743219427
Energy: 1.1129177964901429
Energy: 1.1917404789670767
Energy: 1.5754418329973063
Energy: 1.191740478965045
Energy: 1.1625915202481862
Energy: 1.2620510202887376
Energy: 1.165207186350935
Energy: 1.2620510202877215
Energy: 1.1170210298605237
Energy: 1.2903464087263568
Energy: 1.409137703622352
Energy: 1.2903464087283885
Energy: 1.115881511543757
Energy: 1.2528052077378895
Energy: 1.1661279089540133
Energy: 1.2528052077368734
Energy: 1.1174397624737025
Energy: 1.2908168159638453
Energy: 1.1460229015231467
Energy: 1.290816815964861
Energy: 1.115588849494287
Energy: 1.1967846685549826
Energy: 1.1589821448385338
Energy: 1.1967846685559982
Energy: 1.1846323151575309
Energy: 1.2025995246773113
Energy: 1.143820475607033
Energy: 1.2025995246762957
Energy: 1.1846955208272019
Energy: 1.2014386147870024
Energy: 1.1585203086552158
Energy: 1.2014386147859868
Energy: 1.1159398385956305
Energy: 1.1967915588259697
Energy: 1.1336769653751027
Energy: 1.1967915588280014
Energy: 1.1176227441575686
Energy: 1.2908365452131176
Energy: 1.152162641275088
Energy: 1.2908365452131176
Energy: 1.1156965373033008
Energy: 1.2527902272596598
Energy: 1.1592990306407045
Energy: 1.252790227258644
Energy: 1.1172803766540007
Energy: 1.290258037483531
Energy: 1.190785594855321
Energy: 1.2902580374845467
Energy: 1.16239082552914
Energy: 1.2621496678192905
Energy: 1.1654392480615325
Energy: 1.2621496678162434
Energy: 1.1131125932241828
Energy: 1.191658578203785
Energy: 1.143211878089562
Energy: 1.1916585782017535
Energy: 1.1991456820039175
Energy: 1.2566643734208434
Energy: 1.1539602248924998
Energy: 1.2566643734218594
Energy: 1.196498710630066
Energy: 1.192437993994632
Energy: 1.3239558330829133
Energy: 1.1924379939936158
Energy: 1.198684279725226
Energy: 1.2568034743239742
Energy: 1.1551078755155637
Energy: 1.2568034743219427
Energy: 1.1129177964901429
Energy: 1.1917404789670767
Energy: 1.5754418329932431
Energy: 1.191740478965045
Energy: 1.1625915202481862
Energy: 1.2620510202887376
Energy: 1.1652071863580455
Energy: 1.2620510202887376
Energy: 1.117021029859508
Energy: 1.2903464087263568
Energy: 1.409137703622352
Energy: 1.2903464087283885
Energy: 1.115881511543757
Energy: 1.2528052077358578
Energy: 1.166127908955029
Energy: 1.2528052077338263
Energy: 1.1174397624737025
Energy: 1.2908168159638453
Energy: 1.1460229015231467
Energy: 1.290816815964861

minimum gb energy = 1.1127943283533162 eV
minimum distance =  2.36002576870879 Angstroms
sigma value = 17


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

Energy: 1.1599410324775206
Energy: 1.156259548368749
Energy: 1.3027256058360879
Energy: 1.156259548368121
Energy: 1.2912108844674626
Energy: 1.1438432969515153
Energy: 1.1126545626477835
Energy: 1.1438432969508874
Energy: 1.1297326014400015
Energy: 1.1401129462535184
Energy: 1.4132704613109257
Energy: 1.1401129462541462
Energy: 1.110410045798939
Energy: 1.3745134850552831
Energy: 1.1201724857812299
Energy: 1.3745134850552831
Energy: 1.0951299497078766
Energy: 1.2209492901418137
Energy: 1.4327805244821747
Energy: 1.220949290142441
Energy: 1.0820263822121556
Energy: 1.3865321457340056
Energy: 1.1479402903511389
Energy: 1.3865321457333777
Energy: 1.1142839258390411
Energy: 1.201863167925239
Energy: 1.1337008533646677
Energy: 1.201863167925239
Energy: 1.0995686914641876
Energy: 1.3949382203635217
Energy: 1.0936010530258398
Energy: 1.3949382203635217
Energy: 1.1524318757734122
Energy: 1.396285105536477
Energy: 1.1119517052772614
Energy: 1.3962851055371046
Energy: 1.1546201488396395
Energy: 1.3966159575762271
Energy: 1.1126670417104125
Energy: 1.3966159575762271
Energy: 1.1262504083816067
Energy: 1.3681568478771586
Energy: 1.0941139113717047
Energy: 1.3681568478771586
Energy: 1.1281826184323853
Energy: 1.1970260131092854
Energy: 1.09037709763805
Energy: 1.1970260131092854
Energy: 1.0801797963405029
Energy: 1.3873534017583673
Energy: 1.1134083501943768
Energy: 1.387353401759623
Energy: 1.0888292166015303
Energy: 1.2206318491030825
Energy: 1.1720144066904052
Energy: 1.2206318491037105
Energy: 1.096560964862415
Energy: 1.3793449008002185
Energy: 1.1647890012410642
Energy: 1.3793449008002185
Energy: 1.1264089678922742
Energy: 1.1398568398704247
Energy: 1.432811959264934
Energy: 1.1398568398704247
Energy: 1.117007338108704
Energy: 1.3802605251835378
Energy: 1.1130351774128049
Energy: 1.3802605251829099
Energy: 1.1129989121816106
Energy: 1.1568261584560258
Energy: 1.0990303788005393
Energy: 1.1568261584566537
Energy: 1.2980183048462006
Energy: 1.2001587995950707
Energy: 1.112890370342268
Energy: 1.2001587996013492
Energy: 1.1460875030771769
Energy: 1.1391605158124245
Energy: 1.2528508260125855
Energy: 1.1391605158124245
Energy: 1.2617068192837646
Energy: 1.1335695556604894
Energy: 1.1149040747419197
Energy: 1.1335695556598617
Energy: 1.115093779119692
Energy: 1.4206096960588481
Energy: 1.4082470666322535
Energy: 1.4206096960588481
Energy: 1.2875989857395873
Energy: 1.1295995674320671
Energy: 1.1468555419305675
Energy: 1.1295995674333228
Energy: 1.125716980987551
Energy: 1.2028779456886483
Energy: 1.2977858150816113
Energy: 1.2028779456880205
Energy: 1.1053175013344396
Energy: 1.1571518040058588
Energy: 1.1193203766078315
Energy: 1.1571518040058588
Energy: 1.1135260692389854
Energy: 1.2221163680741136
Energy: 1.1143133543639339
Energy: 1.2221163680741136
Energy: 1.27156921137836
Energy: 1.1920966931756538
Energy: 1.1181070601031462
Energy: 1.1920966931756538
Energy: 1.1675241691992293
Energy: 1.3778540129666683
Energy: 1.0952658168271285
Energy: 1.3778540129666683
Energy: 1.1760119347423195
Energy: 1.219983929149881
Energy: 1.088822697575449
Energy: 1.219983929149881
Energy: 1.1142129154441691
Energy: 1.3949609100037996
Energy: 1.1194157676856986
Energy: 1.3949609100025437
Energy: 1.0894844913542712
Energy: 1.2212686577112426
Energy: 1.1180900602666015
Energy: 1.2212686577112426
Energy: 1.095072759274981
Energy: 1.3696102071944836
Energy: 1.1238373547754537
Energy: 1.3696102071944836
Energy: 1.1272313001596426
Energy: 1.1927285064983408
Energy: 1.3030666032563039
Energy: 1.1927285064970854
Energy: 1.1186099538841097
Energy: 1.3949773352641706
Energy: 1.1439467668493817
Energy: 1.3949773352635426
Energy: 1.0892063507458045
Energy: 1.1573975616850887
Energy: 1.123655363065248
Energy: 1.1573975616844607
Energy: 1.1356714707778617
Energy: 1.2030849658091392
Energy: 1.1132593648471165
Energy: 1.2030849658103948
Energy: 1.1470816068422136
Energy: 1.3869513460021796
Energy: 1.0837109577646886
Energy: 1.3869513460028076
Energy: 1.4343255421791095
Energy: 1.2217810409844896
Energy: 1.1134414002262156
Energy: 1.2217810409838619

minimum gb energy = 1.0801797963405029 eV
minimum distance =  2.35283759749251 Angstroms
sigma value = 89


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

Energy: 1.019396781025291
Energy: 1.0162547614213462
Energy: 1.4301969088687465
Energy: 1.0162547614197033
Energy: 1.0144652329061554
Energy: 1.0531855517550766
Energy: 1.0208423525736785
Energy: 1.0531855517550766
Energy: 1.020401178180202
Energy: 1.1804666909305945
Energy: 1.4493106347933886
Energy: 1.1804666909305945
Energy: 0.9842606764566963
Energy: 1.053238349255966
Energy: 1.0207144377231125
Energy: 1.053238349255966
Energy: 1.0192792991481325
Energy: 1.1054571184029376
Energy: 1.0106255429597741
Energy: 1.1054571184029376
Energy: 1.016749697682814
Energy: 1.0172057249849382
Energy: 1.0223352432523936
Energy: 1.0172057249832953
Energy: 1.0203161855409628
Energy: 1.1811721193028433
Energy: 1.020749763936226
Energy: 1.1811721193028433
Energy: 0.9653869002797262
Energy: 1.1800674014328418
Energy: 1.0210094720315646
Energy: 1.1800674014410557
Energy: 1.0199205589398452
Energy: 1.1104316776769017
Energy: 0.9967309786585892
Energy: 1.1104316776769017
Energy: 1.0499526977877003
Energy: 1.1006488995336465
Energy: 1.012703622676629
Energy: 1.1006488974647113
Energy: 1.0090400286849261
Energy: 1.054032306853109
Energy: 1.0195632168184339
Energy: 1.054032306853109
Energy: 1.0086722708017903
Energy: 1.1810552248070685
Energy: 1.0208501649479258
Energy: 1.1810552248070685
Energy: 1.0275941951996246
Energy: 1.0197247182039892
Energy: 0.9929446590987914
Energy: 1.0197247182039892
Energy: 1.017513572501585
Energy: 1.1083225698259667
Energy: 1.016650159482329
Energy: 1.1083225698259667
Energy: 0.9626245275574057
Energy: 1.0197865293196005
Energy: 1.0273569307944355
Energy: 1.0197865293196005

minimum gb energy = 0.9626245275574057 eV
minimum distance =  2.37171920900151 Angstroms
sigma value = 13


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

Energy: 0.9606048340962021
Energy: 0.9222711548129967
Energy: 0.8830278665568059
Energy: 0.922271154809554
Energy: 1.130610295033367
Energy: 0.9480104580203891
Energy: 0.9051575272166811
Energy: 0.9480104580155693
Energy: 0.9259077290555555
Energy: 0.9224404238552854
Energy: 1.3584736077323014
Energy: 0.9224404238621707
Energy: 0.9335197471036002
Energy: 0.9478737868355702
Energy: 0.9028786675987756
Energy: 0.9478737868390128
Energy: 0.9310603047008206
Energy: 0.9882461893867112
Energy: 1.3067523783257744
Energy: 0.9882461893867112
Energy: 0.9013293727178942
Energy: 0.9486132132359043
Energy: 0.9335167811335914
Energy: 0.9486132132338386
Energy: 0.9312237462699966
Energy: 0.995042752911659
Energy: 1.30162079527461
Energy: 0.9950427529102819
Energy: 0.8912352588355862
Energy: 0.9484378512292828
Energy: 0.9335442854546819
Energy: 0.9484378512341025
Energy: 0.9314465361058155
Energy: 0.9952057900705705
Energy: 1.1146704293790977
Energy: 0.9952057900747017
Energy: 1.1206200551972163
Energy: 1.0130127263919078
Energy: 0.9030527673971861
Energy: 1.0130127263919078
Energy: 0.9312466383660599
Energy: 1.0134663514754927
Energy: 0.9011219081485532
Energy: 1.0134663514748044
Energy: 1.2989130568379104
Energy: 1.0130670543514724
Energy: 0.9094569255643051
Energy: 1.0130670543507838
Energy: 0.96657170741648
Energy: 0.9399720026971926
Energy: 0.9017977982472456
Energy: 0.9399720026971926
Energy: 1.3220562338113846
Energy: 1.013025394251297
Energy: 0.909455542347558
Energy: 1.0130253942451
Energy: 0.9315183778811871
Energy: 0.9224127544595218
Energy: 0.8897000643832615
Energy: 0.922412754454702
Energy: 0.9243772405951531
Energy: 1.0131734004739381
Energy: 0.9090005797747429
Energy: 1.0131734004739381
Energy: 0.9192715318192535
Energy: 0.9215156674021632
Energy: 0.9059729724170323
Energy: 0.921515667400786
Energy: 0.9160638847397011
Energy: 0.9932105637967384
Energy: 0.9437521121488662
Energy: 0.9932105638015584
Energy: 0.9205752092068596
Energy: 0.9930368733611856
Energy: 0.9439510286726308
Energy: 0.9930368733618742
Energy: 0.9203742737252502
Energy: 0.9931101029568713
Energy: 0.9439111205284274
Energy: 0.9931101029534285
Energy: 0.9178641952758444
Energy: 0.9931523783678992
Energy: 0.9433981474947393
Energy: 0.9931523783651451
Energy: 0.9193362603516466
Energy: 0.9216904777765808
Energy: 0.905912153303814
Energy: 0.9216904777504787
Energy: 0.9243589000082487
Energy: 1.013453529072123
Energy: 0.9093689028207953
Energy: 1.0134535290700573
Energy: 0.9318935373782065
Energy: 0.9225340289406394
Energy: 0.8976545987748649
Energy: 0.9225340289371967
Energy: 1.3221199829909085
Energy: 1.0131904435792538
Energy: 0.909856540051015
Energy: 1.013190443538693
Energy: 0.9667701680151112
Energy: 0.9400433524558193
Energy: 0.9103867225509438
Energy: 0.9400433524544421
Energy: 1.298663187451217
Energy: 1.013012119357661
Energy: 0.9089704176928424
Energy: 1.0130121193549069
Energy: 0.9312362282247397
Energy: 1.0132953461497405
Energy: 0.908909730881252
Energy: 1.0132953461497405
Energy: 1.1205818402000542
Energy: 1.0128442777427866
Energy: 0.9031156279115302
Energy: 1.0128442777462292
Energy: 0.9313188090491549
Energy: 0.9951485666724796
Energy: 1.1290750305650246
Energy: 0.9951485666724796
Energy: 0.8912990204817841
Energy: 0.9485069608699427
Energy: 0.9335878196218403
Energy: 0.9485069608720085
Energy: 0.9313547400205149
Energy: 0.9952379429113563
Energy: 1.3250044992965793
Energy: 0.9952379429079137
Energy: 0.9144437802815049
Energy: 0.9487473884213399
Energy: 0.9333196105808363
Energy: 0.9487473884199629
Energy: 0.9309019792014404
Energy: 0.9881061289937276
Energy: 1.3195154881386044
Energy: 0.9881061289957933
Energy: 0.9390260020830591
Energy: 0.9479897715053376
Energy: 0.9028737126531957
Energy: 0.9479897715025833

minimum gb energy = 0.8830278665568059 eV
minimum distance =  2.38260279372886 Angstroms
sigma value = 37


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

Energy: 0.8708952772467301
Energy: 0.8671115612442535
Energy: 1.1191757020855404
Energy: 0.8671115612442535
Energy: 0.8627707436192529
Energy: 0.8642620266062477
Energy: 0.8010413694441629
Energy: 0.8642620266050632
Energy: 0.8327886974959606
Energy: 0.9684990392210948
Energy: 1.1190931923655738
Energy: 0.9684990392341253
Energy: 0.7945316729506844
Energy: 0.864121931631015
Energy: 0.8009426334598632
Energy: 0.8641219316286458
Energy: 0.8004652442154361
Energy: 0.8640957997385157
Energy: 0.7939637803337586
Energy: 0.8640957997385157
Energy: 0.7711670864405621
Energy: 0.8641296937532658
Energy: 0.7998962143511346
Energy: 0.8641296937532658
Energy: 0.8340765760551195
Energy: 0.9062887830827159
Energy: 1.156250996209184
Energy: 0.9062887830815313
Energy: 0.79462615733197
Energy: 0.8675398266674607
Energy: 0.872670368429885
Energy: 0.8675398266674607
Energy: 0.8007170220868609
Energy: 0.8643187570160876
Energy: 1.1562638132239087
Energy: 0.8643187570160876
Energy: 1.1188154774846895
Energy: 0.9600663591353257
Energy: 0.8002481214582616
Energy: 0.9600663591341411
Energy: 0.8341160742025922
Energy: 0.9057708449724771
Energy: 0.797390323879444
Energy: 0.9057708449724771
Energy: 1.2076597181065352
Energy: 0.8645757963012691
Energy: 0.8015519080377178
Energy: 0.8645757963024537
Energy: 0.8011001717005143
Energy: 0.8643833451839814
Energy: 0.7721302934566684
Energy: 0.8643833451839814
Energy: 1.1566896127588238
Energy: 0.9059827963557
Energy: 0.7973429914790858
Energy: 0.9059827963379579
Energy: 0.8604411624988965
Energy: 0.9085308664036239
Energy: 0.7971302117998271
Energy: 0.9085308664036239
Energy: 0.8602618452821919
Energy: 0.8644100877503986
Energy: 0.8016939794877719
Energy: 0.864410087749214
Energy: 0.8010739954275303
Energy: 0.962182798883811
Energy: 0.7517242381960675
Energy: 0.962182798883811
Energy: 0.7911881311765536
Energy: 0.9056112251000379
Energy: 0.7973990218998318
Energy: 0.9056112251012225
Energy: 0.8019735657279187
Energy: 0.8680366802457335
Energy: 0.7981365562727152
Energy: 0.8680366802457335
Energy: 0.7947712897048763
Energy: 0.8625326476786381
Energy: 0.8028734172142045
Energy: 0.8625326476774535

minimum gb energy = 0.7517242381960675 eV
minimum distance =  2.39442077717191 Angstroms
sigma value = 25


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

Energy: 0.9078803980164725
Energy: 0.7197930149798841
Energy: 0.7657277101728082
Energy: 0.719793014976184
Energy: 1.36018901430045
Energy: 0.7334461400905229
Energy: 0.7102391028944659
Energy: 0.7334461400877478
Energy: 0.857431487174186
Energy: 0.7195708786214443
Energy: 0.9476948354258338
Energy: 0.7195708786214443
Energy: 1.099588594798696
Energy: 0.7463596902131523
Energy: 0.7104959392001123
Energy: 0.7463596902131523
Energy: 0.7239768847900782
Energy: 0.7304363351150124
Energy: 0.6902162502395379
Energy: 0.7304363351158955
Energy: 0.8232370169903495
Energy: 0.7196917613643274
Energy: 0.7249489669865231
Energy: 0.7196917613643274
Energy: 0.7118711279744399
Energy: 0.7044808330885566
Energy: 1.1257250478661998
Energy: 0.7044808330885566
Energy: 0.6607422717558403
Energy: 0.7612096364808362
Energy: 0.8571399884235291
Energy: 0.7612096364854614
Energy: 0.7095759276191306
Energy: 0.7331420002928607
Energy: 1.3350921752356693
Energy: 0.7331420002947107
Energy: 0.6737828374612739
Energy: 0.7046840397030025
Energy: 0.7614716012314344
Energy: 0.7046840397048526
Energy: 0.7120584358443762
Energy: 0.7044359405638045
Energy: 1.2430921301550608
Energy: 0.7044359405656547
Energy: 0.9473984867740413
Energy: 1.1309733705866372
Energy: 0.8570533042000916
Energy: 1.1309733705866372
Energy: 0.7113429703713303
Energy: 0.746290348078242
Energy: 1.1106457950427446
Energy: 0.7462903480773171
Energy: 1.0033378060347584
Energy: 0.7801769993520743
Energy: 0.7251961230371253
Energy: 0.7801769993539244
Energy: 0.7243839916909651
Energy: 0.7048524695036121
Energy: 0.8215505454527484
Energy: 0.7048524695036121
Energy: 1.1247964385408886
Energy: 0.8363133870884127
Energy: 0.7106086030230144
Energy: 0.8363133870874877
Energy: 0.8571875381922006
Energy: 0.7576402660785497
Energy: 0.6657640020927132
Energy: 0.7576402660803998
Energy: 1.1425507383448932
Energy: 0.73112602252236
Energy: 0.7106718358400915
Energy: 0.731126022521435
Energy: 0.9087801020514497
Energy: 0.7180196468818744
Energy: 0.671371516354045
Energy: 0.7180196468809493
Energy: 1.3540935603215498
Energy: 0.8369620712898702
Energy: 0.7107293878865544
Energy: 0.8369620712889452
Energy: 0.8574803118800356
Energy: 1.1239164315163912
Energy: 0.655505302515149
Energy: 1.1239164314941907
Energy: 0.8497222357835288
Energy: 0.7462771155972041
Energy: 0.7129675571814887
Energy: 0.7462771155981291
Energy: 0.7246019372887763
Energy: 0.7030788355521196
Energy: 1.0034234349559499
Energy: 0.7030788355521196
Energy: 0.8220130515843329
Energy: 0.8367225568505529
Energy: 0.7268052543271477
Energy: 0.8367225568496278
Energy: 0.7132915574525226
Energy: 1.1268920857425218
Energy: 1.1248258935625348
Energy: 1.1268920857388216
Energy: 0.6845790979954255
Energy: 0.7578204610891004
Energy: 0.8601024286219678
Energy: 0.7578204610881754

minimum gb energy = 0.655505302515149 eV
minimum distance =  2.38059616217751 Angstroms
sigma value = 41


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

Energy: 1.097588089846006
Energy: 0.6356442116467326
Energy: 1.1242803412202345
Energy: 0.6356442116459742
Energy: 1.416897829876863
Energy: 0.6175010271935357
Energy: 0.6032082948390953
Energy: 0.6175010271935357
Energy: 0.6365225187937535
Energy: 0.6008773122938096
Energy: 1.1236508697529226
Energy: 0.6008773122938096
Energy: 1.0640917660228288
Energy: 0.6181173894233527
Energy: 0.6031057114483034
Energy: 0.6181173894241112
Energy: 0.6013340031359461
Energy: 0.654469143789237
Energy: 0.5872497764963351
Energy: 0.654469143789237
Energy: 0.8290895351203993
Energy: 0.6178004838071725
Energy: 0.6030424259059441
Energy: 0.6178004838071725
Energy: 0.6028246388894234
Energy: 0.6174201891222556
Energy: 0.8392187488000508
Energy: 0.617420189123014
Energy: 0.5863807123310318
Energy: 0.6354842623388623
Energy: 0.6016474577806344
Energy: 0.6354842623381041
Energy: 0.6040806230783758
Energy: 0.6344912370795303
Energy: 1.0579044764285015
Energy: 0.6344912370787719
Energy: 0.5728145323591768
Energy: 0.6010853975985907
Energy: 0.6370964984676502
Energy: 0.6010853975985907
Energy: 0.6027458824205558
Energy: 0.6177511726718237
Energy: 1.2497068021450828
Energy: 0.6177511726725821
Energy: 0.5859061468194456
Energy: 0.6357234734924238
Energy: 1.085433703236134
Energy: 0.635723473493182
Energy: 0.6041805856083309
Energy: 0.6367780846780192
Energy: 1.2497062497438947
Energy: 0.6367780847000118
Energy: 0.813130975133746
Energy: 0.7019424652569111
Energy: 0.637006813068178
Energy: 0.7019424652500859
Energy: 0.6029737692120851
Energy: 0.6176994521712124
Energy: 1.066493849991615
Energy: 0.6176994521719706
Energy: 0.8466223197575694
Energy: 0.6349274471403292
Energy: 0.6017673373316869
Energy: 0.6349274470675605
Energy: 0.6041748657738608
Energy: 0.6373154132063071
Energy: 0.8266796994885173
Energy: 0.6373154132063071
Energy: 0.8382864563107812
Energy: 0.7018989783253338
Energy: 0.6031556604352462
Energy: 0.7018989783306423
Energy: 0.6027721900466753
Energy: 0.6354195452931967
Energy: 0.5831246594910369
Energy: 0.6354195452924384
Energy: 0.8695235391529991
Energy: 0.6347522871594802
Energy: 0.6056446800965769
Energy: 0.634752290080914
Energy: 0.6382945713728388
Energy: 0.638366602570426
Energy: 0.5728957231985055
Energy: 0.6383666025689091
Energy: 1.2522442289148665
Energy: 0.6529887635411514
Energy: 0.6033296817517673
Energy: 0.652988763540393
Energy: 1.0845843679088445
Energy: 0.6349068737406109
Energy: 0.5847902192431408
Energy: 0.6349068737398527
Energy: 1.0942850911943878
Energy: 0.6373896417369351
Energy: 0.6056630501179372
Energy: 0.6373896417369351
Energy: 0.6383986858788683
Energy: 0.7003647827959206
Energy: 0.558213262265366
Energy: 0.7003647827951621
Energy: 1.0644007858849955
Energy: 0.6530908281804679
Energy: 0.6033722862890891
Energy: 0.6530908283313139
Energy: 0.6030624914886915
Energy: 0.6344511888105737
Energy: 0.8441616091615914
Energy: 0.6344511888105737
Energy: 0.6130268506652613
Energy: 0.6370735900653463
Energy: 0.6059878770776072
Energy: 0.6370735895976756
Energy: 0.6045677597606672
Energy: 0.7004067321273318
Energy: 0.8373755149981981
Energy: 0.70040672559766
Energy: 0.5834818765420365
Energy: 0.6741872034165353
Energy: 0.6047360809977123
Energy: 0.6741872025933286
Energy: 0.6079412466989365
Energy: 0.6344771597768275
Energy: 0.8676921340628639
Energy: 0.6344771597753108
Energy: 0.5844902665014057
Energy: 0.6368765108191606
Energy: 0.6406643350124805
Energy: 0.6368765108191606

minimum gb energy = 0.558213262265366 eV
minimum distance =  2.37347285368821 Angstroms
sigma value = 15


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

Energy: 0.9704265022129397
Energy: 0.5539443655192575
Energy: 1.0437721175792676
Energy: 0.5539443655205424
Energy: 1.246387560040008
Energy: 0.5522851793219676
Energy: 0.5537472876547487
Energy: 0.5522851793219676
Energy: 0.5801049882497544
Energy: 0.5524232061640308
Energy: 1.0429510941854871
Energy: 0.5524232061646733
Energy: 1.0893364318454883
Energy: 0.5527574982793048
Energy: 0.5535599780566208
Energy: 0.5527574982915113
Energy: 0.5525118213414235
Energy: 0.8756585282187045
Energy: 1.164806767082011
Energy: 0.8756585282193469
Energy: 0.932508728914103
Energy: 0.5526617246455692
Energy: 0.5538677245672757
Energy: 0.552661729705157
Energy: 0.553329793378241
Energy: 0.5655512715717288
Energy: 0.739582471865911
Energy: 0.5655512715717288
Energy: 0.7293476630145632
Energy: 0.5656856901778086
Energy: 0.5536397231733733
Energy: 0.5656856901771661
Energy: 0.554201559837484
Energy: 0.566524602998977
Energy: 0.930791949848078
Energy: 0.566524602998977
Energy: 0.5229432164947648
Energy: 0.5526397945513027
Energy: 0.5526601800362834
Energy: 0.5526397945353001
Energy: 0.5533769715893143
Energy: 0.5528551275076397
Energy: 1.1330739694206748
Energy: 0.5528551275095671
Energy: 0.5143491542583388
Energy: 0.552464531624235
Energy: 0.5803635612476007
Energy: 0.5524645316248775
Energy: 0.5543558283234926
Energy: 0.5664319422460338
Energy: 1.2491001772111658
Energy: 0.5664319422441066
Energy: 0.5226942359014087
Energy: 0.553159072631583
Energy: 0.962314498536185
Energy: 0.5531590726335103
Energy: 0.553581010793405
Energy: 0.5523734881401022
Energy: 1.2428855353858899
Energy: 0.5523734881401022
Energy: 0.7226988080307645
Energy: 0.5527464873641482
Energy: 0.5803162944072172
Energy: 0.5527464873635058
Energy: 0.5543618662552361
Energy: 0.5664462131846932
Energy: 1.0914610429926306
Energy: 0.5664462131859781
Energy: 0.7460624897804626
Energy: 0.8721692366090058
Energy: 0.5526668066807904
Energy: 0.8721692366083634
Energy: 0.5538571235798772
Energy: 0.5520950771120684
Energy: 0.9345922510743166
Energy: 0.5520950771101409
Energy: 0.7409304103076477
Energy: 0.5527804041705197
Energy: 0.5537486662554065
Energy: 0.552780404148735
Energy: 0.5544897634754008
Energy: 0.5788847480164486
Energy: 0.7276955211647902
Energy: 0.5788847493765585
Energy: 0.764604927825119
Energy: 0.5661260118559548
Energy: 0.5555539571801758
Energy: 0.5661260118559548
Energy: 0.5534317541682956
Energy: 0.552206229380589
Energy: 0.5224584860515287
Energy: 0.5522062293748071
Energy: 1.1304200301122003
Energy: 0.5527937155151061
Energy: 0.5536760990016177
Energy: 0.5527937155125364
Energy: 0.5809799855932795
Energy: 0.5787044962793305
Energy: 0.5131400287347128
Energy: 0.578704496279973
Energy: 1.1113825777189468
Energy: 0.565576431567807
Energy: 0.5554969480885495
Energy: 0.5655764315755163
Energy: 0.9618149800190015
Energy: 0.5524218435814001
Energy: 0.5212213016179588
Energy: 0.5524218435814001
Energy: 1.2405535176468685
Energy: 0.5531484662975418
Energy: 0.5537676092688228
Energy: 0.5531484663039661
Energy: 0.5810486239111595
Energy: 1.1596327910257873
Energy: 0.5026877973513638
Energy: 1.159632791025145
Energy: 0.9535579542558568
Energy: 0.5657106063222134
Energy: 0.5555454419212601
Energy: 0.5657106063138617
Energy: 0.5536544458930135
Energy: 0.8708179750068215
Energy: 0.7428751742538742
Energy: 0.8708179749952574
Energy: 0.9322843911917579
Energy: 0.5518207898859349
Energy: 0.5538495906165695
Energy: 0.5518207899354031
Energy: 0.5546329894636466
Energy: 1.1599266552951415
Energy: 0.740780628854231
Energy: 1.1599266552951415
Energy: 0.5439395919849322
Energy: 0.5787318512805549
Energy: 0.5556355005790277
Energy: 0.5787318512882641
Energy: 0.5434644695461
Energy: 0.8696758564561675
Energy: 0.7804101915864234
Energy: 0.8696758564606062
Energy: 0.5222351053520835
Energy: 0.5520215620908201
Energy: 0.5549584249034013
Energy: 0.5520215620888926
Energy: 0.5545431063582875
Energy: 1.1602105484257668
Energy: 1.1281044628364485
Energy: 1.1602105484264094

minimum gb energy = 0.5026877973513638 eV
minimum distance =  2.25320064102953 Angstroms
sigma value = 85


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

Energy: 0.9741515139136908
Energy: 0.7076165572822607
Energy: 0.5043066252419078
Energy: 0.7076165572828179
Energy: 1.3794391181837773
Energy: 0.5479677620800334
Energy: 0.5049041725432836
Energy: 0.5479677620794762
Energy: 0.9405072097184165
Energy: 0.5565511561875534
Energy: 0.6777785784689482
Energy: 0.5565511561925429
Energy: 1.1645556068906988
Energy: 0.5464836636158015
Energy: 0.5047682476987146
Energy: 0.546483663617473
Energy: 0.634657430403348
Energy: 0.5153087728009482
Energy: 0.721076198933946
Energy: 0.515308772735225
Energy: 1.0119218461898714
Energy: 0.556728133295954
Energy: 0.5049691960185314
Energy: 0.5567281332965113
Energy: 0.5947609650387526
Energy: 0.5655855853845537
Energy: 0.721796941882563
Energy: 0.565585585385668
Energy: 0.8711359754487439
Energy: 0.5461856118871258
Energy: 0.5165994067764603
Energy: 0.546185611887683
Energy: 0.5160608338093079
Energy: 0.5250054540156981
Energy: 0.8926132259053211
Energy: 0.5250054540151409
Energy: 0.705961687301882
Energy: 0.5570693223536605
Energy: 0.5945555488210044
Energy: 0.5570693223547749
Energy: 0.5056030822798679
Energy: 0.5456569198705554
Energy: 1.0626432711407277
Energy: 0.5456569198789133
Energy: 0.5133381881622965
Energy: 0.5479489481311978
Energy: 0.6350751238166712
Energy: 0.547948948102781
Energy: 0.5051588506659433
Energy: 0.5246657707318854
Energy: 1.1969134667171186
Energy: 0.524665770733557
Energy: 0.41132829813915023
Energy: 0.5568659721034883
Energy: 0.9394195393773067
Energy: 0.5568659721046028
Energy: 0.5053982242468976
Energy: 0.5461046266406242
Energy: 1.3032824758763462
Energy: 0.5461046266500964
Energy: 0.4191135158800498
Energy: 0.5470000506830929
Energy: 0.8979528464317811
Energy: 0.5470000506825357
Energy: 0.5046977234314425
Energy: 0.5253371553378451
Energy: 1.2342540130705857
Energy: 0.5253371553384023
Energy: 0.6109537030994527
Energy: 0.5567853890956297
Energy: 0.9392780700912947
Energy: 0.5567853890956297
Energy: 0.5055660327801206
Energy: 0.5463818154257862
Energy: 1.162614433728501
Energy: 0.5463818154012952
Energy: 0.6324508842848695
Energy: 0.8277758480141044
Energy: 0.6350957946421956
Energy: 0.8277758480146616
Energy: 0.5052874104149643
Energy: 0.5356384278781466
Energy: 1.011862886288385
Energy: 0.5356384278787039
Energy: 0.7207074958427486
Energy: 0.5455377038713342
Energy: 0.5946492475221643
Energy: 0.54553770386133
Energy: 0.5171232294033467
Energy: 0.5454675062157949
Energy: 0.8804233285967292
Energy: 0.5454675062157949
Energy: 0.7525244483513787
Energy: 0.5658126432014653
Energy: 0.5164067599144494
Energy: 0.5658126437695477
Energy: 0.5949997437361995
Energy: 0.5449247538490801
Energy: 0.7057526834592022
Energy: 0.5449247538501946
Energy: 1.0616257642387426
Energy: 0.5453326525290735
Energy: 0.5064735421129769
Energy: 0.5453326525290735
Energy: 0.6358665699809917
Energy: 0.5445165011395658
Energy: 0.5146215273102518
Energy: 0.5445165012080752
Energy: 1.0866864846719035
Energy: 0.5645923370026733
Energy: 0.504872573058367
Energy: 0.5645923370026733
Energy: 0.9387516656677496
Energy: 0.5555254262282467
Energy: 0.4995667305584456
Energy: 0.5555254262310328
Energy: 1.3014934435439227
Energy: 0.5465295543271644
Energy: 0.5060933582778212
Energy: 0.5465295543266072
Energy: 0.9728188723219285
Energy: 0.7028914977733923
Energy: 0.4212827451207673
Energy: 0.7028914977767354
Energy: 1.188414834926881
Energy: 0.5644307719335001
Energy: 0.505011222845489
Energy: 0.5644307719323858
Energy: 0.938910208912923
Energy: 0.5555896314624567
Energy: 0.4170240508814808
Energy: 0.5555896314641281
Energy: 1.161011765004237
Energy: 0.5467437498437805
Energy: 0.5059785712616981
Energy: 0.5467437498443377
Energy: 0.6351517556195563
Energy: 0.8244507598201043
Energy: 0.6386156538034298
Energy: 0.8244507598217757
Energy: 0.897471678360475
Energy: 0.5738837495543293
Energy: 0.5059005184223208
Energy: 0.5738837495537722
Energy: 0.5945819964223438
Energy: 0.544630033769797
Energy: 0.7189289293059966
Energy: 0.5446300336790253
Energy: 0.8789454748457708
Energy: 0.5457758631056684
Energy: 0.5179839563957643
Energy: 0.545775863104554
Energy: 0.5176676035693989
Energy: 0.8229510216566563
Energy: 0.7578212983116309
Energy: 0.8229510216572136
Energy: 0.5500570893739901
Energy: 0.583094569245253
Energy: 0.5959436886071744
Energy: 0.5830945692441386
Energy: 0.5073234744641072
Energy: 0.5446482072269745
Energy: 1.0606214726412397
Energy: 0.5446482072269745
Energy: 0.5148869671627024
Energy: 0.5445734246873344
Energy: 0.6363372897612882
Energy: 0.5445734250192688
Energy: 0.5055754127998147
Energy: 0.824355173180357
Energy: 1.0929940671528113
Energy: 0.8243551731998334

minimum gb energy = 0.41132829813915023 eV
minimum distance =  2.27350269513294 Angstroms
sigma value = 113


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

Energy: 0.017840290544655493
Energy: 0.01852678869211036
Energy: 0.7274034665797867
Energy: 0.01852678869211036
Energy: 0.727192431764302
Energy: -1.5199039246078279
Energy: -1.517650562346135
Energy: -1.5199039246036397
Energy: 0.017840290544655493
Energy: 0.01852678869211036
Energy: 0.7274032452969795
Energy: 0.01852678869211036
Energy: 0.727192431764302
Energy: -1.5199039246053052
Energy: -1.5176505623469918
Energy: -1.5199039246073993
Energy: 0.017840290544655493
Energy: 0.01852678869211036
Energy: 0.7274008264028851
Energy: 0.01852678869211036
Energy: 0.727192431764302
Energy: -1.519903924604068
Energy: -1.5176505623469918
Energy: -1.5199039246065429

minimum gb energy = -1.5199039246078279 eV
minimum distance =  2.47277898502353 Angstroms
sigma value = 1