Model name: model_name=EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5240105092525478
cohesive_energy=4.528250525522021
mass=58.6934
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: 0.0 eV

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

Energy: 0.018436030574167355
Energy: 0.018771614711275
Energy: 0.5881095322643585
Energy: 0.018771614711275
Energy: 0.018771614711275
Energy: 0.9967863081588221
Energy: 0.018771614711275
Energy: 0.9967863081588221
Energy: 0.5881095322636984
Energy: 0.018771614711275
Energy: 0.018436030574167355
Energy: 0.018771614710614972
Energy: 0.018771614711275
Energy: 0.9967863081588221
Energy: 0.018771614711275
Energy: 0.9967863081601055

minimum gb energy = 0.018436030574167355 eV
minimum distance =  2.4537846362926 Angstroms
sigma value = 1


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

Energy: 1.270787121220859
Energy: 1.3103732500928262
Energy: 1.2997141633851361
Energy: 1.3103732500936265
Energy: 1.2435108677210838
Energy: 1.3008821242405628
Energy: 1.2166727211119264
Energy: 1.3008821242405628
Energy: 1.160626075598765
Energy: 1.2926193240478794
Energy: 1.2432146984564263
Energy: 1.2926193240494803
Energy: 1.2050303712114538
Energy: 1.3113298411012946
Energy: 1.1947599947100758
Energy: 1.311329841102095
Energy: 1.2082650443227199
Energy: 1.31207094807405
Energy: 1.2304224473581993
Energy: 1.3120709480732495
Energy: 1.176008696352296
Energy: 1.2888009554989484
Energy: 1.1416790931067826
Energy: 1.2888009554997486
Energy: 1.247273150474212
Energy: 1.2919658851787992
Energy: 1.1781207921347694
Energy: 1.2919658851812006
Energy: 1.1195852037195742
Energy: 1.3119298973575726
Energy: 1.1375045984666752
Energy: 1.311929897356772
Energy: 1.1978942864589832
Energy: 1.2182440564536139
Energy: 1.2346610171907049
Energy: 1.2182440564536139
Energy: 1.1418050517895004
Energy: 1.2925237813440946
Energy: 1.1127394331255398
Energy: 1.2925237813440946
Energy: 1.2216057151640363
Energy: 1.298605734371303
Energy: 1.1979390660314708
Energy: 1.298605734371303
Energy: 1.2211580262913815
Energy: 1.311786826365661
Energy: 1.15706823485444
Energy: 1.311786826365661
Energy: 1.2138816587539394
Energy: 1.2920162970318252
Energy: 1.2474773949153943
Energy: 1.2920162970302242
Energy: 1.2213516431600806
Energy: 1.2929677776209065
Energy: 1.178073121633601
Energy: 1.2929677776193058
Energy: 1.229285682857989
Energy: 1.3105372988310613
Energy: 1.2132506168849424
Energy: 1.3105372988318615
Energy: 1.2293138828414887
Energy: 1.3108041700934803
Energy: 1.2136063878886465
Energy: 1.3108041700918793
Energy: 1.2432999660211448
Energy: 1.2928169991792207
Energy: 1.1552636691286795
Energy: 1.2928169991800211
Energy: 1.2169848233525342
Energy: 1.2717402414206722
Energy: 1.2447532770592722
Energy: 1.2717402414230736
Energy: 1.1281302013247714
Energy: 1.3108239423781727
Energy: 1.1553670241130638
Energy: 1.310823942376572
Energy: 1.2176180819371658
Energy: 1.2176531181250663
Energy: 1.2019345995123072
Energy: 1.2176531181250663
Energy: 1.1457421606369087
Energy: 1.2923673810461251
Energy: 1.1110908009241844
Energy: 1.2923673810469256
Energy: 1.1953344306571654
Energy: 1.3054725571268004
Energy: 1.2302890450891917
Energy: 1.3054725571260002
Energy: 1.2288419707898972
Energy: 1.3125133213708382
Energy: 1.162893071224827
Energy: 1.3125133213732396
Energy: 1.202943276158991
Energy: 1.2924000130348998
Energy: 1.1760932102779817
Energy: 1.2924000130357
Energy: 1.178282893532502
Energy: 1.2871182824790226
Energy: 1.247989505219055
Energy: 1.2871182824774219
Energy: 1.2121450019932936
Energy: 1.3117384442438327
Energy: 1.162271189558592
Energy: 1.3117384442446332
Energy: 1.2048304972614508
Energy: 1.2988005455581948
Energy: 1.1970974811785937
Energy: 1.2988005455573945
Energy: 1.1638195274768346
Energy: 1.2918965576471608
Energy: 1.247379991447005
Energy: 1.2918965576463604
Energy: 1.243090845042591
Energy: 1.3061901742874766
Energy: 1.2287157716858625
Energy: 1.3061901742858757
Energy: 1.2704630997546082
Energy: 1.311415833295634
Energy: 1.2209379124534023
Energy: 1.311415833295634
Energy: 1.2474594110699668
Energy: 1.2923466606263867
Energy: 1.213938528273285
Energy: 1.2923466606247858
Energy: 1.2031165422016212
Energy: 1.2935595124691073
Energy: 1.2209535137701488
Energy: 1.2935595124699077
Energy: 1.2083880232920081
Energy: 1.3153780990048227
Energy: 1.190887955189131
Energy: 1.3153780990048227

minimum gb energy = 1.1110908009241844 eV
minimum distance =  2.20392767409421 Angstroms
sigma value = 1


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

Energy: 1.340191738310768
Energy: 1.3601750028648976
Energy: 1.3748267033433574
Energy: 1.3601750028667228
Energy: 1.268427477459704
Energy: 1.3483472646263823
Energy: 1.255253874939076
Energy: 1.3483472646272952
Energy: 1.2080500355736001
Energy: 1.3079201481625629
Energy: 1.2549544611245977
Energy: 1.3079201481598246
Energy: 1.1975011424003283
Energy: 1.2706173067020432
Energy: 1.212148249444139
Energy: 1.2706173067011306
Energy: 1.1973980665563164
Energy: 1.3434040736873052
Energy: 1.2529016237044288
Energy: 1.3434040736873052
Energy: 1.2960949622720759
Energy: 1.342015909414768
Energy: 1.2478718032951233
Energy: 1.3420159094120299
Energy: 1.2733581370922924
Energy: 1.2362319509075648
Energy: 1.2124430268946926
Energy: 1.2362319509112154
Energy: 1.152152340990728
Energy: 1.2984677001986482
Energy: 1.1972476735005495
Energy: 1.2984677002004734
Energy: 1.2184393570405014
Energy: 1.2745440611052348
Energy: 1.2547463489613007
Energy: 1.2745440611061474
Energy: 1.1957359209944642
Energy: 1.3605743619025386
Energy: 1.159055654153854
Energy: 1.3605743618970625
Energy: 1.273170813221964
Energy: 1.2913908619288073
Energy: 1.2551559583676262
Energy: 1.2913908619315453
Energy: 1.1823967338621046
Energy: 1.3642393280216976
Energy: 1.254885360036777
Energy: 1.3642393280216976
Energy: 1.2693420214877968
Energy: 1.343413573976461
Energy: 1.269931321912524
Energy: 1.343413573979199
Energy: 1.269455062493945
Energy: 1.3434329457050391
Energy: 1.2579030037799082
Energy: 1.3434329457050391
Energy: 1.182381812871187
Energy: 1.3642526430889665
Energy: 1.2549043148493533
Energy: 1.3642526430871413
Energy: 1.2732294481225233
Energy: 1.2910575441026297
Energy: 1.2552706700291067
Energy: 1.291057544104455
Energy: 1.1955347771016098
Energy: 1.3608305160579304
Energy: 1.169136966733691
Energy: 1.3608305160561052
Energy: 1.2183937836207686
Energy: 1.2745631881319015
Energy: 1.2550298859325795
Energy: 1.2745631881309891
Energy: 1.152390017066864
Energy: 1.3069655325555378
Energy: 1.1861081548012222
Energy: 1.3069655325582759
Energy: 1.2732185426467628
Energy: 1.2360088162372054
Energy: 1.2222276591391847
Energy: 1.236008816238118
Energy: 1.2961353505071993
Energy: 1.3420514709433458
Energy: 1.1862308586040584
Energy: 1.3420514709451712
Energy: 1.1971462356657134
Energy: 1.343136653787385
Energy: 1.2731919115820463
Energy: 1.343136653792861
Energy: 1.197479850226774
Energy: 1.2704802633817274
Energy: 1.2120701696065017
Energy: 1.27048026338264
Energy: 1.207577143695634
Energy: 1.308299499496604
Energy: 1.2549204704813153
Energy: 1.308299499491128
Energy: 1.2685131497964661
Energy: 1.3483475048317242
Energy: 1.255167340649679
Energy: 1.3483475048326368
Energy: 1.340191738310768
Energy: 1.3601750028648976
Energy: 1.3394515372080231
Energy: 1.3601750028667228
Energy: 1.2684274774587914
Energy: 1.3483472646263823
Energy: 1.255253874939076
Energy: 1.3483472646272952
Energy: 1.2080500355736001
Energy: 1.3079201481589118
Energy: 1.2549544611245977
Energy: 1.3079201481616498
Energy: 1.1975011423994157
Energy: 1.270617306702956
Energy: 1.2167371658495163
Energy: 1.270617306700218

minimum gb energy = 1.152152340990728 eV
minimum distance =  2.17507313837643 Angstroms
sigma value = 25


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

Energy: 1.2982984786477687
Energy: 1.4348525716815224
Energy: 1.464736126123618
Energy: 1.4348525716804612
Energy: 1.2637336598361466
Energy: 1.3832030830072946
Energy: 1.2629592238844352
Energy: 1.3832030830052207
Energy: 1.2502585260757495
Energy: 1.4841004650097467
Energy: 1.2630860906690555
Energy: 1.4841004650097467
Energy: 1.2561212403064712
Energy: 1.3850994316150576
Energy: 1.254495999971055
Energy: 1.3850994316150576
Energy: 1.2563823862445873
Energy: 1.435967416791861
Energy: 1.3335563671844874
Energy: 1.4359674167907999
Energy: 1.3774123670689682
Energy: 1.4775349959597222
Energy: 1.3465053873497228
Energy: 1.4775349959597222
Energy: 1.262746703318904
Energy: 1.2784073532470999
Energy: 1.2901072371502997
Energy: 1.2784073532470999
Energy: 1.4450958272666588
Energy: 1.439047262397409
Energy: 1.2117358868708183
Energy: 1.439047262397409
Energy: 1.2900927836740574
Energy: 1.3662308245754091
Energy: 1.2627265914077765
Energy: 1.3662308245764703
Energy: 1.2649474617334873
Energy: 1.4791641723607436
Energy: 1.2374637950649838
Energy: 1.4791641723607436
Energy: 1.3330856910164053
Energy: 1.4350579455297252
Energy: 1.2629196158805585
Energy: 1.4350579455297252
Energy: 1.2560941653251367
Energy: 1.4353976013489473
Energy: 1.2630272419073971
Energy: 1.4353976013489473
Energy: 1.2630364138358088
Energy: 1.3777556499861545
Energy: 1.2435579904707583
Energy: 1.3777556499861545
Energy: 1.2910014217123045
Energy: 1.2631676310569913
Energy: 1.2623227120345908
Energy: 1.263167631059113
Energy: 1.3180287464872926
Energy: 1.4346562633110074
Energy: 1.209285038374231
Energy: 1.4346562633110074
Energy: 1.2929531759533182
Energy: 1.2808349869549636
Energy: 1.2547134406083331
Energy: 1.2808349869549636
Energy: 1.1928030558827216
Energy: 1.4834237176266771
Energy: 1.1926332629331824
Energy: 1.483423717627738
Energy: 1.2547318364821818
Energy: 1.3846289264225717
Energy: 1.2565000499116168
Energy: 1.384628926421511
Energy: 1.255848573517977
Energy: 1.3849723932179274
Energy: 1.256686835879355
Energy: 1.3849723932168667
Energy: 1.3465108649839936
Energy: 1.4770854821412422
Energy: 1.2621097428844654
Energy: 1.4770854821401813
Energy: 1.2933444619438867
Energy: 1.3591101389432363
Energy: 1.263494584943474
Energy: 1.3591101389432363
Energy: 1.3026295557229675
Energy: 1.4357985096240353
Energy: 1.3596693070775787
Energy: 1.4357985096240353
Energy: 1.2940902517283759
Energy: 1.2785766702726558
Energy: 1.263336115727198
Energy: 1.2785766702726558
Energy: 1.247632733926006
Energy: 1.4827610280653334
Energy: 1.2650415386412743
Energy: 1.4827610280653334
Energy: 1.263598223079812
Energy: 1.3833958213816644
Energy: 1.2555033506453475
Energy: 1.3833958213827255

minimum gb energy = 1.1926332629331824 eV
minimum distance =  2.19564777484875 Angstroms
sigma value = 9


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

Energy: 1.4374408894567996
Energy: 1.435345622484416
Energy: 1.565675357577284
Energy: 1.435345622484416
Energy: 1.3242300515729784
Energy: 1.460187620477789
Energy: 1.3326544246169447
Energy: 1.460187620477789
Energy: 1.244699956244544
Energy: 1.3575674670106634
Energy: 1.3347914970924548
Energy: 1.3575674670106634
Energy: 1.3560711041153743
Energy: 1.4734002040482728
Energy: 1.2708297910038766
Energy: 1.4734002040470076
Energy: 1.411162142316268
Energy: 1.4450149347328878
Energy: 1.347932875851916
Energy: 1.4450149347316221
Energy: 1.2621673922595649
Energy: 1.3568130427592635
Energy: 1.3254863057317658
Energy: 1.3568130427579976
Energy: 1.3443566362219017
Energy: 1.2730302166746048
Energy: 1.2713426076158418
Energy: 1.2730302166746048
Energy: 1.3066276556518845
Energy: 1.3564536178969342
Energy: 1.2989375778072203
Energy: 1.3564536178981998
Energy: 1.3453443213965859
Energy: 1.445126317601507
Energy: 1.3292638077847052
Energy: 1.4451263176027724
Energy: 1.3568679579510174
Energy: 1.437687268638417
Energy: 1.2708152631469116
Energy: 1.437687268638417
Energy: 1.2771901664159044
Energy: 1.3265866390086853
Energy: 1.32637230593166
Energy: 1.3265866390124823
Energy: 1.3547920971283858
Energy: 1.4365672460682006
Energy: 1.3310898042379498
Energy: 1.4365672460682006
Energy: 1.2624378218325232
Energy: 1.3525040065876899
Energy: 1.273816636518249
Energy: 1.3525040065876899
Energy: 1.348728220242407
Energy: 1.3217276477946422
Energy: 1.3424839850156083
Energy: 1.3217276477946422
Energy: 1.26260107926367
Energy: 1.3521376350805865
Energy: 1.2734605304460636
Energy: 1.3521376350818521
Energy: 1.3557954303537283
Energy: 1.3553759253711875
Energy: 1.2708448158324197
Energy: 1.3553759253711875
Energy: 1.3799212061323236
Energy: 1.4365540951559925
Energy: 1.3319712371425914
Energy: 1.4365540951559925
Energy: 1.3568531373970185
Energy: 1.4374421517500553
Energy: 1.2706926482463368
Energy: 1.4374421517487899
Energy: 1.3570728354777395
Energy: 1.4447033938715
Energy: 1.3341365301573445
Energy: 1.4447033938715
Energy: 1.3838114587812373
Energy: 1.356341525547509
Energy: 1.2989591849672153
Energy: 1.3563415255462437
Energy: 1.344703119946903
Energy: 1.42025538987533
Energy: 1.3325413194852427
Energy: 1.4202553898765955

minimum gb energy = 1.244699956244544 eV
minimum distance =  2.24977605946228 Angstroms
sigma value = 25


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

Energy: 1.296599394782712
Energy: 1.5504601212238018
Energy: 1.6916745049330153
Energy: 1.5504601212222364
Energy: 1.2734336393935946
Energy: 1.4537176155797378
Energy: 1.2584667000872436
Energy: 1.4537176155797378
Energy: 1.258768238725526
Energy: 1.3170996865533162
Energy: 1.258319686332478
Energy: 1.3170996865486204
Energy: 1.2965728310254023
Energy: 1.3361826062534579
Energy: 1.4615182677914182
Energy: 1.3361826062534579
Energy: 1.454703650004221
Energy: 1.2744841207583792
Energy: 1.2589080087131284
Energy: 1.2744841207599447
Energy: 1.2632801564559906
Energy: 1.562751681227355
Energy: 1.2598366726669914
Energy: 1.562751681227355
Energy: 1.25835562914862
Energy: 1.455972288856764
Energy: 1.2585901786042353
Energy: 1.455972288856764
Energy: 1.454670826046407
Energy: 1.4675956367568697
Energy: 1.2965582288254616
Energy: 1.4675956367568697
Energy: 1.2584584367740002
Energy: 1.3701545581849643
Energy: 1.2762906706516242
Energy: 1.3701545581849643
Energy: 1.508503467182547
Energy: 1.3164508843081746
Energy: 1.2590151490443877
Energy: 1.3164508843081746
Energy: 1.4427095937053136
Energy: 1.5475403898637488
Energy: 1.6332158735196431
Energy: 1.547540389865314
Energy: 1.2589047940933402
Energy: 1.3158179108958088
Energy: 1.5068683223756878
Energy: 1.3158179108942438
Energy: 1.449515361280665
Energy: 1.368314721443608
Energy: 1.258062388410491
Energy: 1.3683147214451732
Energy: 1.258365123868049
Energy: 1.2822506979149555
Energy: 1.2964410567954385
Energy: 1.28225069791339
Energy: 1.2582817792710626
Energy: 1.4694229495921214
Energy: 1.4497917922095136
Energy: 1.4694229495921214
Energy: 1.2729907322864373
Energy: 1.3997718425607801
Energy: 1.263257256858083
Energy: 1.3997718425607801
Energy: 1.2587017558371627
Energy: 1.3890043250779884
Energy: 1.5036828006651382
Energy: 1.3890043250779884

minimum gb energy = 1.258062388410491 eV
minimum distance =  2.29066385900048 Angstroms
sigma value = 17


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

Energy: 1.4161889688650258
Energy: 1.415580082089352
Energy: 1.722942762286382
Energy: 1.415580082089352
Energy: 1.476701870544071
Energy: 1.3936548615310458
Energy: 1.2962121395338906
Energy: 1.3936548615310458
Energy: 1.4649523286530315
Energy: 1.407238476381422
Energy: 1.2960913699436645
Energy: 1.407238476381422
Energy: 1.2975813478914726
Energy: 1.4182151056920553
Energy: 1.4099580646941623
Energy: 1.418215105692942
Energy: 1.512575342570224
Energy: 1.403788328293166
Energy: 1.2967007474667265
Energy: 1.4037883282958252
Energy: 1.3125511741349027
Energy: 1.3580953126484492
Energy: 1.4596345680247624
Energy: 1.3580953126475628
Energy: 1.3018202151663465
Energy: 1.4485935398655494
Energy: 1.2967325441531732
Energy: 1.4485935398637764
Energy: 1.4607726249484614
Energy: 1.4517942977725187
Energy: 1.310168460401886
Energy: 1.451794297770746
Energy: 1.3147341705859055
Energy: 1.4910166066407389
Energy: 1.5173231531182598
Energy: 1.4910166066416255
Energy: 1.6176418101538197
Energy: 1.3937305686324668
Energy: 1.2964397766239626
Energy: 1.3937305686333534
Energy: 1.3010282992786324
Energy: 1.4505446622808706
Energy: 1.4662613944024112
Energy: 1.450544662279984
Energy: 1.31087371926416
Energy: 1.445371614837187
Energy: 1.3101495945292903
Energy: 1.4453716148363003
Energy: 1.4766836370693643
Energy: 1.4157021974536577
Energy: 1.4172998112567787
Energy: 1.4157021974527715
Energy: 1.296218598444595
Energy: 1.4698867902278567
Energy: 1.4819653862207676
Energy: 1.46988679022697
Energy: 1.427909168049816
Energy: 1.4481937100097069
Energy: 1.314180020316239
Energy: 1.4481937100097069
Energy: 1.4660372922636131
Energy: 1.416220638595951
Energy: 1.461087705353525
Energy: 1.416220638595951
Energy: 1.2969375287846965
Energy: 1.489513839435615
Energy: 1.6189112893578228
Energy: 1.4895138394365015
Energy: 1.4471168009116502
Energy: 1.4069781846737484
Energy: 1.3124631008652423
Energy: 1.4069781846737484
Energy: 1.335303618549651
Energy: 1.4888921879496615
Energy: 1.3797665502647305
Energy: 1.4888921879505481
Energy: 1.2968176358536605
Energy: 1.4516860950819437
Energy: 1.2982071463940106
Energy: 1.451686095081057
Energy: 1.3788152151267068
Energy: 1.4075547436258007
Energy: 1.465394866599794
Energy: 1.4075547436266869
Energy: 1.2963978354345047
Energy: 1.551932669814262
Energy: 1.620910842218028
Energy: 1.551932669814262
Energy: 1.506033598381247
Energy: 1.4158104039445911
Energy: 1.2956969496855113
Energy: 1.4158104039437047
Energy: 1.3102947425035314
Energy: 1.4487801497422874
Energy: 1.4707172555094739
Energy: 1.4487801497440604
Energy: 1.310179850383584
Energy: 1.407025800445141
Energy: 1.4683559957898824
Energy: 1.407025800445141
Energy: 1.5070453284137442
Energy: 1.4159596961561864
Energy: 1.2974271994349944
Energy: 1.4159596961553
Energy: 1.2965422065380925
Energy: 1.491881019236875
Energy: 1.6591163311865642
Energy: 1.4918810192377612
Energy: 1.4601887727098726
Energy: 1.3569113922608034
Energy: 1.4659856099642865
Energy: 1.3569113922599172
Energy: 1.5516896841470131
Energy: 1.5655031880247208
Energy: 1.3016032270218414
Energy: 1.5655031880238344
Energy: 1.3103622489614895
Energy: 1.489571272563024
Energy: 1.447578743498153
Energy: 1.489571272563024

minimum gb energy = 1.2956969496855113 eV
minimum distance =  2.17052534048738 Angstroms
sigma value = 53


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

Energy: 1.2253199562214756
Energy: 1.225032960709864
Energy: 1.8267829216501519
Energy: 1.2250329607119046
Energy: 1.4828141087708882
Energy: 1.3529205212428317
Energy: 1.2919845748459067
Energy: 1.3529205212407909
Energy: 1.2259819337651319
Energy: 1.2247208006340506
Energy: 1.372792365513831
Energy: 1.2247208006360912
Energy: 1.2259547569016562
Energy: 1.2246427435371294
Energy: 1.3718065998599578
Energy: 1.2246427435371294
Energy: 1.4828156389154368
Energy: 1.3528222268522634
Energy: 1.291920170109868
Energy: 1.3528222268543042
Energy: 1.2253199562194346
Energy: 1.2250329607119046
Energy: 1.6297303629371291
Energy: 1.2250329607119046
Energy: 1.4828141087708882
Energy: 1.3529205212448727
Energy: 1.3719845447183876
Energy: 1.3529205212407909
Energy: 1.2259819337651319
Energy: 1.2247208006340506
Energy: 1.475500643488848
Energy: 1.2247208006360912
Energy: 1.2259547569016562
Energy: 1.2246427435391702
Energy: 1.4561500883161362
Energy: 1.2246427435371294
Energy: 1.4828156389154368
Energy: 1.3528222268543042
Energy: 1.4018068097664995
Energy: 1.3528222268563448
Energy: 1.2253199562214756
Energy: 1.225032960709864
Energy: 1.7084679409781456
Energy: 1.2250329607119046
Energy: 1.4828141087708882
Energy: 1.3529205212428317
Energy: 1.4564005081368145
Energy: 1.3529205212407909
Energy: 1.2259819337651319
Energy: 1.2247208006340506
Energy: 1.475500643488848
Energy: 1.2247208006360912

minimum gb energy = 1.2246427435371294 eV
minimum distance =  2.26785895871824 Angstroms
sigma value = 9


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

Energy: 1.353251028350125
Energy: 1.5301658126507938
Energy: 1.7879285020635554
Energy: 1.5301658126492832
Energy: 1.531343880581832
Energy: 1.4273367544394193
Energy: 1.3713869797200384
Energy: 1.4273367544386637
Energy: 1.3473692851065937
Energy: 1.3386175238274813
Energy: 1.3675160465504603
Energy: 1.3386175238282367
Energy: 1.4975587876651535
Energy: 1.598328534339981
Energy: 1.379838277038279
Energy: 1.5983285343392255
Energy: 1.5186406265014802
Energy: 1.4239089067094823
Energy: 1.3574842534896232
Energy: 1.4239089067094823
Energy: 1.3385740336763021
Energy: 1.3377533728579485
Energy: 1.5102235233271257
Energy: 1.337753372858704
Energy: 1.7320096829737166
Energy: 1.4191000843390067
Energy: 1.3625189851307342
Energy: 1.4191000843382513
Energy: 1.355638973849308
Energy: 1.4416376525152153
Energy: 1.509588062120155
Energy: 1.4416376525159704
Energy: 1.350688079637345
Energy: 1.4576682732897348
Energy: 1.3376115857573605
Energy: 1.4576682732897348
Energy: 1.3495537712871712
Energy: 1.4255571054462377
Energy: 1.3741480498746848
Energy: 1.4255571054462377
Energy: 1.3576671827130662
Energy: 1.4446612688411233
Energy: 1.7235502115108374
Energy: 1.4446612688411233
Energy: 1.5292065504719856
Energy: 1.5468352745586629
Energy: 1.3557310977906605
Energy: 1.5468352745586629
Energy: 1.3516182558928134
Energy: 1.4404355320444493
Energy: 1.6239465141330502
Energy: 1.4404355320452047
Energy: 1.5041899488421866
Energy: 1.4431523617634772
Energy: 1.3621047452224881
Energy: 1.4431523617642326
Energy: 1.359935496039622
Energy: 1.5196438176811349
Energy: 1.5051630720509703
Energy: 1.51964381768189
Energy: 1.3549905844411025
Energy: 1.6090315610640742
Energy: 1.5015073028662493
Energy: 1.6090315610625636
Energy: 1.426071936899837
Energy: 1.519700918999707
Energy: 1.36007434174564
Energy: 1.5197009190012174
Energy: 1.3615542838908719
Energy: 1.4189841158057868
Energy: 1.5644622271802648
Energy: 1.4189841158042762
Energy: 1.5105430497407497
Energy: 1.3535389514072775
Energy: 1.3416615138451526
Energy: 1.3535389514072775
Energy: 1.3583793251038112
Energy: 1.4417365935833288
Energy: 1.440393642435458
Energy: 1.4417365935833288
Energy: 1.5011277765045725
Energy: 1.5984003584646214
Energy: 1.5024626743686074
Energy: 1.5984003584653768
Energy: 1.4664128698393697
Energy: 1.522513289792787
Energy: 1.349666172481522
Energy: 1.522513289792787
Energy: 1.3373030479161692
Energy: 1.515464663636852
Energy: 1.3503335097611706
Energy: 1.5154646636376075
Energy: 1.7450159296565921
Energy: 1.4409668146197079
Energy: 1.3551179033390854
Energy: 1.4409668146212187
Energy: 1.362192386464539
Energy: 1.5697386523518257
Energy: 1.6388046114685184
Energy: 1.569738652352581
Energy: 1.4249812548096863
Energy: 1.3383270575021375
Energy: 1.3481206657166422
Energy: 1.3383270575006267
Energy: 1.4475979515837238
Energy: 1.5263487687266928
Energy: 1.4970767551199884
Energy: 1.5263487687259376
Energy: 1.3518058467801994
Energy: 1.5977924452080325
Energy: 1.4975756929393846
Energy: 1.5977924452080325
Energy: 1.4341990544081766
Energy: 1.3379073944674074
Energy: 1.3469395975953786
Energy: 1.337907394466652
Energy: 1.361764167663431
Energy: 1.5694634043720728
Energy: 1.6395192150417301
Energy: 1.5694634043720728
Energy: 1.6708735366969998
Energy: 1.441191126609751
Energy: 1.3539736714275679
Energy: 1.4411911266105062
Energy: 1.3375163854843215
Energy: 1.4242802072005745
Energy: 1.3482121230300976
Energy: 1.424280207199819
Energy: 1.361722480975491
Energy: 1.5214476635554657
Energy: 1.3478208336568296
Energy: 1.5214476635577314
Energy: 1.5063538904033753
Energy: 1.602637518977389
Energy: 1.4985392464027028
Energy: 1.6026375189766335
Energy: 1.358299551487058
Energy: 1.5767977437010954
Energy: 1.7306943901936616
Energy: 1.5767977437018503

minimum gb energy = 1.3373030479161692 eV
minimum distance =  2.20261288150315 Angstroms
sigma value = 73


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

Energy: 1.4351062900330522
Energy: 1.3638181530894105
Energy: 1.8313959557070523
Energy: 1.3638181530894105
Energy: 1.459119582686025
Energy: 1.4786314912891612
Energy: 1.3398521087757698
Energy: 1.4786314912891612
Energy: 1.374801302529443
Energy: 1.3390997283884125
Energy: 1.38505551987466
Energy: 1.3390997283884125
Energy: 1.3600175239563959
Energy: 1.3633360951002502
Energy: 1.38814992764221
Energy: 1.3633360951014488
Energy: 1.4361745060559592
Energy: 1.477101222766238
Energy: 1.4224285545410584
Energy: 1.477101222766238
Energy: 1.3821071566801097
Energy: 1.378169033733515
Energy: 1.6094691932112901
Energy: 1.3781690337347134
Energy: 1.7127803694780228
Energy: 1.5583200556413173
Energy: 1.3851424286093539
Energy: 1.5583200556413173
Energy: 1.3585174148822663
Energy: 1.338910339427753
Energy: 1.6024072861211913
Energy: 1.338910339427753
Energy: 1.6673039592500247
Energy: 1.3400757767085854
Energy: 1.3389251989710298
Energy: 1.3400757767073868
Energy: 1.381365668398013
Energy: 1.4815720211191914
Energy: 1.3823832965344613
Energy: 1.4815720211167946
Energy: 1.3561036916154139
Energy: 1.3402906934544094
Energy: 1.5933127095989679
Energy: 1.3402906934520125
Energy: 1.5066121820941674
Energy: 1.3632939151199095
Energy: 1.3607702122501752
Energy: 1.3632939151199095
Energy: 1.3878980791393103
Energy: 1.4549508861041156
Energy: 1.588616023613988
Energy: 1.4549508861041156
Energy: 1.642116958281714
Energy: 1.5396326502380082
Energy: 1.381696227308893
Energy: 1.5396326502380082
Energy: 1.3738951878236172
Energy: 1.5820927932642719
Energy: 1.582245450114399
Energy: 1.5820927932642719
Energy: 1.5937947808532953
Energy: 1.3398389659301422
Energy: 1.3578780408765976
Energy: 1.3398389659301422
Energy: 1.4529035978944436
Energy: 1.4375360964036572
Energy: 1.3747454293875032
Energy: 1.4375360964036572
Energy: 1.4330679352458922
Energy: 1.3639668500086624
Energy: 1.3745321622109463
Energy: 1.3639668500086624
Energy: 1.521852436646951
Energy: 1.339065245260526
Energy: 1.356876462025787
Energy: 1.3390652452629228
Energy: 1.377167739811658
Energy: 1.507190656766525
Energy: 1.6687387246860195
Energy: 1.5071906567593345
Energy: 1.628754461666291
Energy: 1.3801196288702144
Energy: 1.3814250519025832
Energy: 1.3801196288702144
Energy: 1.401465441839368
Energy: 1.485994599646469
Energy: 1.5334941192390867
Energy: 1.4859945996476676

minimum gb energy = 1.338910339427753 eV
minimum distance =  2.21644938579861 Angstroms
sigma value = 7


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

Energy: 1.379053354360041
Energy: 1.378606770902371
Energy: 1.7571747672992246
Energy: 1.378606770902371
Energy: 1.6934894701679948
Energy: 1.4789992755878858
Energy: 1.3875032716492457
Energy: 1.4789992755912755
Energy: 1.359792163835066
Energy: 1.37933731785726
Energy: 1.3952890853682818
Energy: 1.379337317854718
Energy: 1.422891671899065
Energy: 1.4809766405023654
Energy: 1.3880672468913284
Energy: 1.480976640498976
Energy: 1.360727753049654
Energy: 1.461321696637011
Energy: 1.4203564089340566
Energy: 1.461321696637011
Energy: 1.363853544872025
Energy: 1.3800478359582329
Energy: 1.6445517217681622
Energy: 1.3800478359573853
Energy: 1.5174359304605038
Energy: 1.5389562907189962
Energy: 1.41967017110619
Energy: 1.5389562907189962
Energy: 1.3638766520794405
Energy: 1.3796278003828313
Energy: 1.7097364000054864
Energy: 1.3796278003853735
Energy: 1.544575922822432
Energy: 1.4663125966743762
Energy: 1.3766387582306046
Energy: 1.4663125966752235
Energy: 1.3696478505171745
Energy: 1.50168649222165
Energy: 1.5034446438294924
Energy: 1.5016864922233446
Energy: 1.413871100658665
Energy: 1.3798404929191812
Energy: 1.4200287568948338
Energy: 1.3798404929225707
Energy: 1.3795769963717368
Energy: 1.4621756266180792
Energy: 1.4200513435373923
Energy: 1.4621756266163843
Energy: 1.3788478391176264
Energy: 1.38141125190179
Energy: 1.4226820654657928
Energy: 1.3814112519009425
Energy: 1.4006040320877775
Energy: 1.3730685532084719
Energy: 1.4195097545348574
Energy: 1.3730685532042348
Energy: 1.3765073262614267
Energy: 1.6012947250606717
Energy: 1.5161537221006838
Energy: 1.6012947250623666
Energy: 1.7897397319164967
Energy: 1.3722660106818965
Energy: 1.371618790422523
Energy: 1.372266010682667
Energy: 1.3772873029796457
Energy: 1.4678589668034883
Energy: 1.563758409382832
Energy: 1.4678589667992514
Energy: 1.3978124424257439
Energy: 1.5866899633642664
Energy: 1.420088387336485
Energy: 1.5866899633718927
Energy: 1.3774250062825266
Energy: 1.380992723009785
Energy: 1.4235336626891404
Energy: 1.3809927230089376
Energy: 1.3702604237740312
Energy: 1.460161607191658
Energy: 1.4201591731311045
Energy: 1.4601616071958952
Energy: 1.4265944506787254
Energy: 1.4145812764823276
Energy: 1.3756136586117316
Energy: 1.414581276478938
Energy: 1.3642815705326188
Energy: 1.3789321822285103
Energy: 1.5027624006024212
Energy: 1.3789321822251208
Energy: 1.6623552067016947
Energy: 1.466192008867072
Energy: 1.4098357921632674
Energy: 1.4661920088713087
Energy: 1.385281857474203
Energy: 1.3795683157080265
Energy: 1.6444947179166753
Energy: 1.3795683157063316
Energy: 1.4176968808233956
Energy: 1.460010205659929
Energy: 1.3947806410108947
Energy: 1.4600102056633184
Energy: 1.4223579884435396
Energy: 1.3805929620525834
Energy: 1.3747238405703495
Energy: 1.3805929620559731
Energy: 1.360578457242484
Energy: 1.4887822257204464
Energy: 1.3885497128174316
Energy: 1.4887822257229888
Energy: 1.4233252233918754
Energy: 1.4676394329118456
Energy: 1.3878511777883904
Energy: 1.4676394329093037
Energy: 1.3591284093752911
Energy: 1.3795470717474694
Energy: 1.51156507816974
Energy: 1.3795470717517064
Energy: 1.3825852151570366
Energy: 1.4020383009660435
Energy: 1.38712214010877
Energy: 1.4020383009694333
Energy: 1.3591296320093396
Energy: 1.3792764508074817
Energy: 1.653158648830224
Energy: 1.3792764508049395

minimum gb energy = 1.3591284093752911 eV
minimum distance =  2.20010824499164 Angstroms
sigma value = 29


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

Energy: 1.3390486418176715
Energy: 1.33031634260536
Energy: 1.8562938812444576
Energy: 1.3303163426050977
Energy: 1.286896101320623
Energy: 1.3446645395376655
Energy: 1.3402753927274584
Energy: 1.344664539536813
Energy: 1.3749818986961613
Energy: 1.405960407143627
Energy: 1.2873121133167038
Energy: 1.4059604071433316
Energy: 1.3404903268259445
Energy: 1.2873970751373907
Energy: 1.2871104557463022
Energy: 1.287397075137686
Energy: 1.339388086088357
Energy: 1.3809503991092125
Energy: 1.3314069926751029
Energy: 1.380950399110393
Energy: 1.3308952475128488
Energy: 1.4056245347290353
Energy: 1.3308444964005053
Energy: 1.4056245347293301
Energy: 1.3315464037224813
Energy: 1.380959641590149
Energy: 1.3394440486447812
Energy: 1.3809596415904444
Energy: 1.3400662728210986
Energy: 1.2879138880394168
Energy: 1.3404871851215987
Energy: 1.2879138880388263
Energy: 1.2877167364254478
Energy: 1.405964191853395
Energy: 1.3750078380514166
Energy: 1.4059641918542802

minimum gb energy = 1.286896101320623 eV
minimum distance =  2.26636783505267 Angstroms
sigma value = 5


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

Energy: 1.3013661757361428
Energy: 1.3223004081047456
Energy: 1.8105122535852103
Energy: 1.3223004081031446
Energy: 1.5126924785394944
Energy: 1.3497200727727436
Energy: 1.264919880708785
Energy: 1.349720072773544
Energy: 1.2733534380779525
Energy: 1.3164288031033162
Energy: 1.5100654245532408
Energy: 1.3164288031041167
Energy: 1.2690310530973015
Energy: 1.388364368713387
Energy: 1.2731387327512973
Energy: 1.3883643687141876
Energy: 1.2858685718395557
Energy: 1.3933159555401882
Energy: 1.5151417513086567
Energy: 1.3933159555409889
Energy: 1.3269563973990615
Energy: 1.3245190710660868
Energy: 1.2633359332990086
Energy: 1.3245190710660868
Energy: 1.2746810351113413
Energy: 1.3908956410358264
Energy: 1.2620805086695042
Energy: 1.3908956410366267
Energy: 1.2712676101885254
Energy: 1.3260483866293806
Energy: 1.2762022356641243
Energy: 1.3260483866285802
Energy: 1.2855198768918557
Energy: 1.391097656983748
Energy: 1.281610405524788
Energy: 1.3910976569829478
Energy: 1.2803522339513678
Energy: 1.3921491319369779
Energy: 1.2899579185503225
Energy: 1.3921491319377783
Energy: 1.3094296590678456
Energy: 1.3259517059597274
Energy: 1.2743871355952545
Energy: 1.3259517059581263
Energy: 1.284692196802361
Energy: 1.4084573732291907
Energy: 1.3264578850021762
Energy: 1.4084573732291907
Energy: 1.3263310652205058
Energy: 1.3236250034217032
Energy: 1.327134002983202
Energy: 1.3236250034225039
Energy: 1.285594187318834
Energy: 1.3231592186897747
Energy: 1.3545567762212345
Energy: 1.3231592186897747
Energy: 1.5108028706650805
Energy: 1.3909055782612085
Energy: 1.2744237025947136
Energy: 1.3909055782604083
Energy: 1.2754877203721964
Energy: 1.3161798336765056
Energy: 1.3146216881360304
Energy: 1.316179833677306
Energy: 1.5031067662909627
Energy: 1.413600141037138
Energy: 1.2678551847634816
Energy: 1.4136001410347367
Energy: 1.2824454153674116
Energy: 1.3234671571743475
Energy: 1.4333836223213845
Energy: 1.3234671571743475
Energy: 1.272944473602121
Energy: 1.3947313155972845
Energy: 1.2662332015767952
Energy: 1.3947313155988856
Energy: 1.2748512470839102
Energy: 1.3892717045861325
Energy: 1.293735646089213
Energy: 1.3892717045853322
Energy: 1.2694420956554844
Energy: 1.386166219509191
Energy: 1.2763717260982543
Energy: 1.3861662195107922
Energy: 1.2836081198942924
Energy: 1.3911523198185403
Energy: 1.2713512939679836
Energy: 1.3911523198177398
Energy: 1.2634127710997893
Energy: 1.324964836874347
Energy: 1.2696042693888177
Energy: 1.3249648368735465
Energy: 1.322041160340787
Energy: 1.3263550152532402
Energy: 1.2763863618221467
Energy: 1.3263550152516392
Energy: 1.3330520664161731
Energy: 1.3105253390746758
Energy: 1.2884480510844345
Energy: 1.3105253390754763
Energy: 1.3021126053108218
Energy: 1.323481042364653
Energy: 1.2863351303972606
Energy: 1.323481042366254
Energy: 1.2630902235283712
Energy: 1.379977660635276
Energy: 1.3453914784346677
Energy: 1.3799776606376772
Energy: 1.3516729925753515
Energy: 1.3667941038200713
Energy: 1.2756413300294442
Energy: 1.3667941038200713
Energy: 1.2752553293228315
Energy: 1.3510237376259817
Energy: 1.505537013201754
Energy: 1.3510237376283831
Energy: 1.4120808710836124
Energy: 1.3229172632400346
Energy: 1.2823679262314236
Energy: 1.3229172632408348
Energy: 1.2690088695166208
Energy: 1.2931737082511596
Energy: 1.4100780157636232
Energy: 1.2931737082519603
Energy: 1.5031471399449383
Energy: 1.3688255495708348
Energy: 1.2747622427456096
Energy: 1.3688255495692339
Energy: 1.2793501578242004
Energy: 1.3873473617564211
Energy: 1.2699159657867807
Energy: 1.387347361755621

minimum gb energy = 1.2620805086695042 eV
minimum distance =  2.20639570969463 Angstroms
sigma value = 1


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

Energy: 1.4263056789046509
Energy: 1.268467963381927
Energy: 1.8033642908281031
Energy: 1.2684679633841405
Energy: 1.3430377244821228
Energy: 1.3600749104846552
Energy: 1.2214153923358235
Energy: 1.3600749104835486
Energy: 1.2258838762159707
Energy: 1.2662628542560272
Energy: 1.4600470453947447
Energy: 1.2662628542560272
Energy: 1.2318272459070936
Energy: 1.358830571242301
Energy: 1.2438091651008478
Energy: 1.3588305712434077
Energy: 1.2110697030115323
Energy: 1.3936552654353358
Energy: 1.643250246931939
Energy: 1.3936552654342287
Energy: 1.2075527392370475
Energy: 1.2699711636379856
Energy: 1.2435976694541555
Energy: 1.2699711636357718
Energy: 1.2230458104278021
Energy: 1.4047242514235918
Energy: 1.2818456084298882
Energy: 1.4047242514246985
Energy: 1.2229184437470613
Energy: 1.2698366507615741
Energy: 1.303750178962273
Energy: 1.2698366507626808
Energy: 1.2657627639616076
Energy: 1.272019314617709
Energy: 1.3139307106132032
Energy: 1.2720193146188157
Energy: 1.2656560700512482
Energy: 1.2668163177802978
Energy: 1.2891208479008875
Energy: 1.2668163177802978
Energy: 1.22449367537169
Energy: 1.269731184304436
Energy: 1.2850019914794224
Energy: 1.269731184305543
Energy: 1.2227100230016315
Energy: 1.396174289513079
Energy: 1.4203912542345758
Energy: 1.3961742895119726
Energy: 1.2064924623155522
Energy: 1.2700443990299517
Energy: 1.2419530673244543
Energy: 1.2700443990299517
Energy: 1.2090348709928707
Energy: 1.2691003212532705
Energy: 1.5054471337479804
Energy: 1.2691003212532705
Energy: 1.2602349116584755
Energy: 1.3568026458995286
Energy: 1.2429602109864888
Energy: 1.3568026458995286
Energy: 1.2256540503409112
Energy: 1.266504682621819
Energy: 1.338709137762359
Energy: 1.2665046826240325
Energy: 1.4286026038040798
Energy: 1.293586552169216
Energy: 1.2348705329944107
Energy: 1.2935865521703225
Energy: 1.4263056789057575
Energy: 1.2684679633830338
Energy: 1.5354795014052731
Energy: 1.2684679633830338
Energy: 1.343037724481016
Energy: 1.3600749104846552
Energy: 1.2214153923358235
Energy: 1.3600749104835486
Energy: 1.2258838762159707
Energy: 1.2662628542560272
Energy: 1.439929050730443
Energy: 1.2662628542549204
Energy: 1.2318272459059865
Energy: 1.3588305712434077
Energy: 1.2438091651008478
Energy: 1.3588305712434077
Energy: 1.2110697030126392
Energy: 1.3936552654353358
Energy: 1.5379515494925533
Energy: 1.3936552654342287
Energy: 1.2075527392370475
Energy: 1.2699711636379856
Energy: 1.2435976694552626
Energy: 1.2699711636357718
Energy: 1.223045810426695
Energy: 1.4047242514246985
Energy: 1.2818456084298882
Energy: 1.4047242514258056

minimum gb energy = 1.2064924623155522 eV
minimum distance =  2.21991451908701 Angstroms
sigma value = 17


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

Energy: 1.2590878003625459
Energy: 1.2588026436866415
Energy: 1.5409894754780857
Energy: 1.2588026436859574
Energy: 1.4292921787672113
Energy: 1.2437369217361334
Energy: 1.2229689613501333
Energy: 1.243736921734081
Energy: 1.2201847579761584
Energy: 1.2450290322289868
Energy: 1.5115078670599387
Energy: 1.2450290322283026
Energy: 1.2735727045621943
Energy: 1.2088933679322889
Energy: 1.216990553776514
Energy: 1.2088933679322889
Energy: 1.2157110361849377
Energy: 1.3458419974484113
Energy: 1.2492911317560482
Energy: 1.345841997447727
Energy: 1.2115716569093598
Energy: 1.2244010380489025
Energy: 1.232389675939373
Energy: 1.2244010380468502
Energy: 1.229626910789205
Energy: 1.3260241204758514
Energy: 1.2492341247743948
Energy: 1.3260241204758514
Energy: 1.2066850005382754
Energy: 1.3150920757955535
Energy: 1.2213066051960464
Energy: 1.3150920757962374
Energy: 1.25946101910722
Energy: 1.3090763293859915
Energy: 1.2881232256694004
Energy: 1.3090763293846233
Energy: 1.245299251300125
Energy: 1.3106365785196123
Energy: 1.2227900109558865
Energy: 1.3106365785196123
Energy: 1.2198944377696266
Energy: 1.2867552002418141
Energy: 1.2159528972580012
Energy: 1.2867552002418141
Energy: 1.2222276849200302
Energy: 1.316891202735508
Energy: 1.2034223780205278
Energy: 1.3168912027368762
Energy: 1.2090971865735496
Energy: 1.3002111534038538
Energy: 1.2288030159392846
Energy: 1.3002111534024856
Energy: 1.2285288714047773
Energy: 1.3437521140162358
Energy: 1.2586869594701824
Energy: 1.343752114017604
Energy: 1.2054366183307337
Energy: 1.2152841482630592
Energy: 1.270891798856185
Energy: 1.2152841482630592
Energy: 1.220580543013676
Energy: 1.2458999772187986
Energy: 1.2354955777098993
Energy: 1.245899977219483
Energy: 1.2390311305301787
Energy: 1.2150422169924113
Energy: 1.2283929243182337
Energy: 1.2150422169924113
Energy: 1.2103416751498
Energy: 1.259651595108514
Energy: 1.233802681210081
Energy: 1.259651595109198
Energy: 1.4159390073335612
Energy: 1.3209729751318835
Energy: 1.2185633510546394
Energy: 1.3209729751305153
Energy: 1.2262568967782843
Energy: 1.245317737196932
Energy: 1.2950535523156175
Energy: 1.2453177371962478
Energy: 1.3776955405111064
Energy: 1.2335850522457807
Energy: 1.2118394489690287
Energy: 1.2335850522423601
Energy: 1.2104442827829172
Energy: 1.259834716720236
Energy: 1.3767351256999876
Energy: 1.2598347167209198
Energy: 1.2616503402094446
Energy: 1.224224159306768
Energy: 1.2284272328156336
Energy: 1.2242241593074519
Energy: 1.2195697369565515
Energy: 1.3288795726769203
Energy: 1.432209434369824
Energy: 1.3288795726769203
Energy: 1.2503223478674517
Energy: 1.2603661782392404
Energy: 1.212519832022163
Energy: 1.2603661782399243
Energy: 1.2095798917547649
Energy: 1.3478330199956852
Energy: 1.2705557159717085
Energy: 1.347833019995001
Energy: 1.411467155682569
Energy: 1.3034368159114569
Energy: 1.2204618327887549
Energy: 1.3034368159100889
Energy: 1.26948652076287
Energy: 1.443035084830776
Energy: 1.2201632293927893
Energy: 1.4430350848300917
Energy: 1.258386298595427
Energy: 1.343201397941163
Energy: 1.2293342140168826
Energy: 1.343201397941163
Energy: 1.2101440849632632
Energy: 1.2998610936208717
Energy: 1.282548898715341
Energy: 1.299861093618819
Energy: 1.2184868110193565
Energy: 1.3436438860183213
Energy: 1.2078161409139074
Energy: 1.3436438860190052
Energy: 1.2048992853743778
Energy: 1.2881878297285083
Energy: 1.2145328146701693
Energy: 1.2881878297285083
Energy: 1.220159803484614
Energy: 1.310999613104284
Energy: 1.4406475834543118
Energy: 1.3109996131036
Energy: 1.2884655626416373
Energy: 1.459729385507457
Energy: 1.2291779791811321
Energy: 1.4597293855067726
Energy: 1.2137845195081385
Energy: 1.260757427399841
Energy: 1.2593377768005771
Energy: 1.2607574273991569
Energy: 1.2467268081973435
Energy: 1.3285200278854734
Energy: 1.2274797006621347
Energy: 1.328520027884105
Energy: 1.2284723309724885
Energy: 1.2253457740583755
Energy: 1.2148764866206292
Energy: 1.2253457740590596
Energy: 1.2651485299974292
Energy: 1.3483565986717334
Energy: 1.212007853880384
Energy: 1.3483565986710493

minimum gb energy = 1.2034223780205278 eV
minimum distance =  2.21733575151654 Angstroms
sigma value = 89


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

Energy: 1.1150608212595194
Energy: 1.1151504739793203
Energy: 1.5608921993443938
Energy: 1.1151504739775304
Energy: 1.13296589173627
Energy: 1.1503515198877416
Energy: 1.1357216394109326
Energy: 1.1503515198877416
Energy: 1.1326214087990634
Energy: 1.3278101177422057
Energy: 1.8763117620361296
Energy: 1.3278101177422057
Energy: 1.1178797869965942
Energy: 1.1503968281164598
Energy: 1.1360773538940927
Energy: 1.1503968281164598
Energy: 1.132587504208248
Energy: 1.2403505462431113
Energy: 1.2217885012311127
Energy: 1.240350546244901
Energy: 1.132555498771323
Energy: 1.116323089071626
Energy: 1.1189130272160284
Energy: 1.116323089071626
Energy: 1.1328381731519306
Energy: 1.3279150215865414
Energy: 1.1155196124426847
Energy: 1.3279150215865414
Energy: 1.147080930877447
Energy: 1.3274616321066133
Energy: 1.135890907625406
Energy: 1.3274616321066133
Energy: 1.1324815398357926
Energy: 1.2408865216718932
Energy: 1.1204932243719645
Energy: 1.240886521673683
Energy: 1.1509539580982198
Energy: 1.1158256114521825
Energy: 1.1171461214416896
Energy: 1.1158256114521825
Energy: 1.1150763458859285
Energy: 1.1517515363958162
Energy: 1.1324910314991379
Energy: 1.1517515363958162
Energy: 1.114935824622996
Energy: 1.32854036742545
Energy: 1.1362387152752127
Energy: 1.32854036742545
Energy: 1.13255425260767
Energy: 1.1185107972498938
Energy: 1.1433432538688768
Energy: 1.1185107972498938
Energy: 1.1176012369959005
Energy: 1.2397399698611198
Energy: 1.118141278829417
Energy: 1.2397399698611198
Energy: 1.1206559303066579
Energy: 1.118500438891569
Energy: 1.1325400579643385
Energy: 1.1185004388933588

minimum gb energy = 1.114935824622996 eV
minimum distance =  2.24301497359178 Angstroms
sigma value = 13


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

Energy: 1.1198641654045738
Energy: 1.081855109672462
Energy: 1.4300021814221862
Energy: 1.081855109675463
Energy: 1.3013107947634779
Energy: 1.1073261557998828
Energy: 1.075641720560271
Energy: 1.1073261558028837
Energy: 1.083308961833615
Energy: 1.0823849317092455
Energy: 1.314839702289301
Energy: 1.082384931717498
Energy: 1.0854314290784814
Energy: 1.1074788754136187
Energy: 1.0730615913305706
Energy: 1.1074788754121183
Energy: 1.09061203000072
Energy: 1.1761829028538526
Energy: 1.1496553288340812
Energy: 1.1761829028546025
Energy: 1.0733728547656718
Energy: 1.1083473438086282
Energy: 1.0958821903175817
Energy: 1.1083473438086282
Energy: 1.0903640851395853
Energy: 1.1763202541832756
Energy: 1.2820162875901853
Energy: 1.1763202541810251
Energy: 1.0673946601214228
Energy: 1.1072806123377017
Energy: 1.0958962996361978
Energy: 1.1072806123369516
Energy: 1.0901164801437873
Energy: 1.1766540992507295
Energy: 1.3680088124826708
Energy: 1.176654099255231
Energy: 1.2965258143174136
Energy: 1.1970736684283165
Energy: 1.0730109127570098
Energy: 1.1970736684223147
Energy: 1.0902781054258825
Energy: 1.1986271111555964
Energy: 1.0888365140462088
Energy: 1.1986271111563467
Energy: 1.1296329372813176
Energy: 1.1970739228989482
Energy: 1.0717388675386774
Energy: 1.1970739229049498
Energy: 1.1280673999903832
Energy: 1.099950215701326
Energy: 1.1168004961899747
Energy: 1.0999502157043266
Energy: 1.4884486050212595
Energy: 1.1972933419432894
Energy: 1.0718943334394946
Energy: 1.197293341942539
Energy: 1.090214738647054
Energy: 1.0819472010924347
Energy: 1.0824835841047646
Energy: 1.0819472010871833
Energy: 1.079010444206203
Energy: 1.1980826983188693
Energy: 1.0765253648474233
Energy: 1.1980826983226205
Energy: 1.0955818131112818
Energy: 1.169013731145745
Energy: 1.077916647062148
Energy: 1.169013731142744
Energy: 1.0916237318936728
Energy: 1.1722017647360912
Energy: 1.0922856979101236
Energy: 1.1722017647390919
Energy: 1.094557098309369
Energy: 1.1010282901116135
Energy: 1.092377629981553
Energy: 1.101028290106362
Energy: 1.0950012218512033
Energy: 1.1011305981319301
Energy: 1.0920873510547078
Energy: 1.1011305981281791
Energy: 1.0915880965864622
Energy: 1.1721425288826646
Energy: 1.0921932558783023
Energy: 1.1721425288811642
Energy: 1.0955650297212494
Energy: 1.1690740098038042
Energy: 1.0794540175543974
Energy: 1.1690740098045542
Energy: 1.0788105973487754
Energy: 1.1979039063274979
Energy: 1.0777731662998353
Energy: 1.1979039063267474
Energy: 1.0903040905123458
Energy: 1.0819620132979
Energy: 1.0824392143249466
Energy: 1.0819620133069026
Energy: 1.487940063303106
Energy: 1.1975623222770946
Energy: 1.0719414477139333
Energy: 1.1975623222770946
Energy: 1.1280804354660565
Energy: 1.1001069515870874
Energy: 1.1113747337227755
Energy: 1.1001069515870874
Energy: 1.1307256733956392
Energy: 1.197292647188873
Energy: 1.0720532809351933
Energy: 1.197292647196375
Energy: 1.0899897831621626
Energy: 1.1987576804797393
Energy: 1.080331924435477
Energy: 1.198757680478239
Energy: 1.2959271305971398
Energy: 1.197092421520429
Energy: 1.0733284147235358
Energy: 1.197092421520429
Energy: 1.0908568025686798
Energy: 1.1764778447974007
Energy: 1.3038302819166767
Energy: 1.1764778447928994
Energy: 1.0669906243895562
Energy: 1.1074543759584496
Energy: 1.0958762820354833
Energy: 1.107454375956199
Energy: 1.0908080209522253
Energy: 1.1762690479620554
Energy: 1.4799310630950195
Energy: 1.176269047956054
Energy: 1.073151697612513
Energy: 1.108395395612312
Energy: 1.0960715844445308
Energy: 1.108395395608561
Energy: 1.0907298864919814
Energy: 1.1762681301309865
Energy: 1.4564202641807618
Energy: 1.1762681301264852
Energy: 1.0856184221528842
Energy: 1.107514432932113
Energy: 1.07301156477288
Energy: 1.1075144329388649

minimum gb energy = 1.0669906243895562 eV
minimum distance =  2.26354276437613 Angstroms
sigma value = 37


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

Energy: 1.0265237536721457
Energy: 1.0262251992739824
Energy: 1.0739590401783645
Energy: 1.0262251992739824
Energy: 1.1116438109491031
Energy: 1.0262908995333748
Energy: 0.991098202434871
Energy: 1.0262908995333748
Energy: 0.9797756028229783
Energy: 1.1796253630909315
Energy: 1.0029586654563936
Energy: 1.179625363092222
Energy: 0.989337911310788
Energy: 1.0261125995532963
Energy: 0.9910179090110856
Energy: 1.0261125995520057
Energy: 0.9891055320803724
Energy: 1.025952891408564
Energy: 1.0392709819401849
Energy: 1.025952891408564
Energy: 0.9844529588123561
Energy: 1.331771230676752
Energy: 0.9832431379201073
Energy: 1.331771230676752
Energy: 0.9899371363073785
Energy: 1.2143263756575584
Energy: 1.31043475537477
Energy: 1.2143263756575584
Energy: 0.9809839358437457
Energy: 1.0264963153568687
Energy: 1.030090693187282
Energy: 1.0264963153568687
Energy: 0.9891662662571861
Energy: 1.0270129222737017
Energy: 1.4873337557891626
Energy: 1.0270129222737017
Energy: 1.4068910289240166
Energy: 1.0268175692098223
Energy: 0.9836337102280932
Energy: 1.0268175692098223
Energy: 0.9896784362295242
Energy: 1.203842511164099
Energy: 0.9893237342024199
Energy: 1.203842511164099
Energy: 1.3564388810745613
Energy: 1.0262317119444082
Energy: 0.9910680933667789
Energy: 1.0262317119431175
Energy: 0.9799978394186343
Energy: 1.0268674327773013
Energy: 0.9845501013268757
Energy: 1.0268674327760103
Energy: 1.3100272082286617
Energy: 1.0750068064061649
Energy: 0.9893944355162085
Energy: 1.0750068064061649
Energy: 1.025636526051772
Energy: 1.0755890194795659
Energy: 0.9892999785756471
Energy: 1.0755890194795659
Energy: 1.026200926090696
Energy: 1.0261380785016465
Energy: 0.9909378882184157
Energy: 1.026138078500356
Energy: 0.9799428976566645
Energy: 1.1614659995664902
Energy: 1.002448371385865
Energy: 1.1614659995664902
Energy: 0.98005174577215
Energy: 1.203586166492698
Energy: 0.9890516989771816
Energy: 1.203586166492698
Energy: 0.9894321048292383
Energy: 1.027755269058774
Energy: 0.9806652115132624
Energy: 1.027755269058774
Energy: 0.97985158425757
Energy: 1.0265466337091336
Energy: 0.9797902185996997
Energy: 1.0265466337078428

minimum gb energy = 0.9797756028229783 eV
minimum distance =  2.26339779752086 Angstroms
sigma value = 25


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

Energy: 1.0961199232427337
Energy: 0.9294198342026991
Energy: 1.6437627149072942
Energy: 0.929419834203707
Energy: 1.3121600191456644
Energy: 0.9295377524276964
Energy: 0.9109403409903366
Energy: 0.9295377524287043
Energy: 1.0389894426863406
Energy: 0.9224924227196692
Energy: 0.9921279383159436
Energy: 0.9224924227176535
Energy: 1.106557603045407
Energy: 0.9506585501453985
Energy: 0.9174236266630792
Energy: 0.9506585501443906
Energy: 0.9278408974030614
Energy: 0.9301941076102245
Energy: 1.0476209038329123
Energy: 0.9301941076072009
Energy: 1.0148088280320198
Energy: 0.9223270912661328
Energy: 0.9274003135785945
Energy: 0.9223270912691106
Energy: 0.9138496512988609
Energy: 0.9050830866084917
Energy: 1.1082078728709224
Energy: 0.9050830866084917
Energy: 0.90166066869142
Energy: 0.9597870817088905
Energy: 1.0409475777113426
Energy: 0.9597870817088905
Energy: 0.912482113099242
Energy: 0.9388125373632878
Energy: 1.4383741156724243
Energy: 0.9388125373653036
Energy: 0.884446904970979
Energy: 0.9100876132175386
Energy: 0.9624772560598768
Energy: 0.9100876132195543
Energy: 0.9136092993254473
Energy: 0.9053123333618136
Energy: 1.4006998274825395
Energy: 0.9053123333608057
Energy: 1.2250333645645517
Energy: 1.0764258607529875
Energy: 1.040987685885587
Energy: 1.0764258607539954
Energy: 0.9195527841505019
Energy: 0.9498877337839731
Energy: 1.4063427111249196
Energy: 0.9498877337859887
Energy: 1.21466760230828
Energy: 1.0167886329710474
Energy: 0.9273322864159655
Energy: 1.0167886329710474
Energy: 0.9264864094792655
Energy: 0.9054524722445376
Energy: 1.0241271908918421
Energy: 0.9054524722475612
Energy: 1.3303187366662426
Energy: 1.0701588091923109
Energy: 0.9119366565864223
Energy: 1.070158809191303
Energy: 1.0434919291059277
Energy: 0.9600939599400743
Energy: 0.9132268067196313
Energy: 0.9600939599420899
Energy: 1.3119416558786452
Energy: 0.9297834329566369
Energy: 0.9110984304408059
Energy: 0.9297834329556289
Energy: 1.100074279430603
Energy: 0.9224505746166349
Energy: 0.8842905309123329
Energy: 0.9224505746186505
Energy: 1.515401444202677
Energy: 1.070520181641457
Energy: 0.9118750177889167
Energy: 1.070520181641457
Energy: 1.0436059753746387
Energy: 1.068484908565799
Energy: 0.8881322799399761
Energy: 1.0684849085708386
Energy: 1.0398925060129964
Energy: 0.9498630165167551
Energy: 0.9211533016889758
Energy: 0.9498630165167551
Energy: 0.9263462740499431
Energy: 1.0132130240858765
Energy: 1.2142220625071956
Energy: 1.0132130240848685
Energy: 1.0215174796009552
Energy: 1.0709722792765792
Energy: 0.9261978460178979
Energy: 1.0709722792765792
Energy: 0.9109998442502742
Energy: 1.0688444070657208
Energy: 1.3290195003464411
Energy: 1.0688444070596734
Energy: 0.8932677797359249
Energy: 0.9598235270913483
Energy: 1.039034145189873
Energy: 0.9598235270893326

minimum gb energy = 0.8842905309123329 eV
minimum distance =  2.26812520065717 Angstroms
sigma value = 41


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

Energy: 1.2475135834150852
Energy: 0.8537876580253586
Energy: 1.60138007682463
Energy: 0.853787658023706
Energy: 1.2727356385695205
Energy: 0.8342138354156201
Energy: 0.8256963979510468
Energy: 0.8342138354139675
Energy: 0.8513424387459012
Energy: 0.8228850691963357
Energy: 0.8172251333024699
Energy: 0.822885069197162
Energy: 1.0813376698876143
Energy: 0.835250784866601
Energy: 0.8258780572604005
Energy: 0.8352507848657745
Energy: 0.8198392282588807
Energy: 0.8755842872935491
Energy: 0.8503047232898723
Energy: 0.8755842872952017
Energy: 1.02891891689948
Energy: 0.8354274208501506
Energy: 0.8257793714559136
Energy: 0.8354274208493244
Energy: 0.8245532237312695
Energy: 0.8348770479115165
Energy: 0.8641592639564866
Energy: 0.8348770479131692
Energy: 0.8099821460158206
Energy: 0.851533540986806
Energy: 0.8212130980935685
Energy: 0.851533540986806
Energy: 0.8292380198350364
Energy: 0.8538628148221188
Energy: 1.179018786501758
Energy: 0.8538628148188137
Energy: 0.8170889826097066
Energy: 0.823372648587199
Energy: 0.8523241842378554
Energy: 0.8233726485888516
Energy: 0.8247113830245659
Energy: 0.8345516815469333
Energy: 1.4257263138098066
Energy: 0.8345516815436281
Energy: 0.8098180153713881
Energy: 0.8544032025663756
Energy: 1.248782680263511
Energy: 0.8544032025663756
Energy: 0.8289595667100212
Energy: 0.8545807539354229
Energy: 1.5258545030106085
Energy: 0.8545807539354229
Energy: 1.0865680693805855
Energy: 0.9562395892894711
Energy: 0.8523549121341932
Energy: 0.9562395892886448
Energy: 0.8249400584468526
Energy: 0.8345790612779773
Energy: 1.2395796670883834
Energy: 0.83457906127963
Energy: 1.07728035149305
Energy: 0.853803655956433
Energy: 0.8212014535221827
Energy: 0.8538036559572594
Energy: 0.8292279748559985
Energy: 0.9410492691031092
Energy: 1.1384906072856276
Energy: 0.9410492691039355
Energy: 1.075466564825774
Energy: 0.9420378305422961
Energy: 0.825887171718855
Energy: 0.9420378305422961
Energy: 0.8246318382823591
Energy: 0.8515874959359683
Energy: 0.8140531923151627
Energy: 0.8515874959359683
Energy: 1.0791323490051172
Energy: 0.8543014021953081
Energy: 0.8290927768376756
Energy: 0.8543014021936557
Energy: 0.8560869126366376
Energy: 0.9401456429319506
Energy: 0.8179385808611848
Energy: 0.9401456429311243
Energy: 1.4330574731506125
Energy: 0.964105299384968
Energy: 0.8259619592310069
Energy: 0.9641052993874468
Energy: 1.2518119275935105
Energy: 0.8520755569970317
Energy: 0.8103683939370129
Energy: 0.8520755569970317
Energy: 1.2712983632519848
Energy: 0.8542295657441585
Energy: 0.828938290966681
Energy: 0.8542295657458111
Energy: 0.855797299578862
Energy: 0.945945192169305
Energy: 0.8131578898985664
Energy: 0.9459451921635209
Energy: 1.2511649542580814
Energy: 0.8744154377699134
Energy: 0.8259053761585919
Energy: 0.8744154377707397
Energy: 0.8247468978307059
Energy: 0.8528369163061891
Energy: 1.0772491443413956
Energy: 0.8528369163070153
Energy: 0.8207444834839926
Energy: 1.131505353649547
Energy: 0.8287174074324923
Energy: 1.1315053536503732
Energy: 0.8291835155449339
Energy: 0.946597533822013
Energy: 1.076390754190244
Energy: 0.9465975338187078
Energy: 0.8136049731794437
Energy: 0.9902361357298312
Energy: 0.8289334027304125
Energy: 0.9902361357306574
Energy: 0.8252325426488303
Energy: 0.8524118272683017
Energy: 1.0792040126565283
Energy: 0.8524118272683017
Energy: 0.8094193117071526
Energy: 1.1313407471105628
Energy: 0.8608580492268683
Energy: 1.1313407471105628

minimum gb energy = 0.8094193117071526 eV
minimum distance =  2.25720088546849 Angstroms
sigma value = 15


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

Energy: 1.1349045807890534
Energy: 0.7813339033333079
Energy: 1.053333911623637
Energy: 0.7813339033319079
Energy: 1.3059221119170277
Energy: 0.7775938122182656
Energy: 0.7784210896694063
Energy: 0.7775938122175657
Energy: 0.8055780925601984
Energy: 0.7765051649400707
Energy: 0.7563579826391815
Energy: 0.7765051649393707
Energy: 1.1473243511717395
Energy: 0.7787703919880663
Energy: 0.7781120010305812
Energy: 0.7787703919838664
Energy: 0.7745222293169071
Energy: 0.861144337727754
Energy: 0.785326117104305
Energy: 0.861144337721454
Energy: 1.11666552197384
Energy: 0.7775911551383837
Energy: 0.7784230225209134
Energy: 0.7775911551390838
Energy: 0.7772856969585844
Energy: 0.7915189970617522
Energy: 0.7972240602260556
Energy: 0.7915189970659522
Energy: 0.9366081204191125
Energy: 0.7905625429006984
Energy: 0.7781479524033642
Energy: 0.7905625428992984
Energy: 0.780565348106122
Energy: 0.7926938154533233
Energy: 1.0660657757316683
Energy: 0.7926938154547232
Energy: 0.7500431814614051
Energy: 0.7761557262376179
Energy: 0.7751566456118022
Energy: 0.7761557262418177
Energy: 0.7776261876997436
Energy: 0.7780566867887996
Energy: 1.1482515513997278
Energy: 0.7780566867894996
Energy: 0.7565213905475882
Energy: 0.776782180010003
Energy: 0.8063635648355437
Energy: 0.7767821800114029
Energy: 0.7805467377463952
Energy: 0.7924962833003849
Energy: 1.5252170437154025
Energy: 0.792496283298985
Energy: 0.7496730556858946
Energy: 0.7815756949336392
Energy: 1.1356154292955334
Energy: 0.7815756949315393
Energy: 0.7776164177393141
Energy: 0.777865657851624
Energy: 1.4513060555001582
Energy: 0.777865657853024
Energy: 0.9069749983254032
Energy: 0.776814881724879
Energy: 0.8062244863083551
Energy: 0.776814881723479
Energy: 0.7805154483654744
Energy: 0.7913010061283599
Energy: 1.3564337837892169
Energy: 0.7913010061276597
Energy: 0.9787292733577948
Energy: 0.8647854378457862
Energy: 0.7750911215346776
Energy: 0.864785437845086
Energy: 0.7775536423137429
Energy: 0.7767999453028862
Energy: 1.1164708680679591
Energy: 0.7767999453035861
Energy: 0.9777720527218267
Energy: 0.7776678425549302
Energy: 0.7782229317102247
Energy: 0.7776678425549302
Energy: 0.7805195091880464
Energy: 0.8077435857147142
Energy: 1.0322326416229082
Energy: 0.807743585718214
Energy: 0.9808947981916472
Energy: 0.7906164359240917
Energy: 0.7841065002224912
Energy: 0.7906164359247918
Energy: 0.7775475342215441
Energy: 0.776000371972028
Energy: 0.7504401706844304
Energy: 0.7760003719699279
Energy: 1.339715150084622
Energy: 0.7780708421056293
Energy: 0.7781681949459547
Energy: 0.7780708421056293
Energy: 0.8085534213377279
Energy: 0.806752975717354
Energy: 0.7522521836309688
Energy: 0.8067529757264538
Energy: 1.3066719493824692
Energy: 0.7901255362285299
Energy: 0.783955913575485
Energy: 0.7901255362292299
Energy: 1.137889736218368
Energy: 0.7756507248043734
Energy: 0.749724904290074
Energy: 0.7756507248043734
Energy: 1.4481984393932081
Energy: 0.7782224496916696
Energy: 0.7783895085960367
Energy: 0.7782224496902698
Energy: 0.8088458244906387
Energy: 0.889639839687509
Energy: 0.7547908627025542
Energy: 0.889639839686809
Energy: 1.1451403524051609
Energy: 0.7909465630150889
Energy: 0.7841805798569879
Energy: 0.7909465630150889
Energy: 0.7773784862046794
Energy: 0.8528086489595103
Energy: 0.978838593896419
Energy: 0.8528086489595103
Energy: 1.1184438993437105
Energy: 0.7758408895721722
Energy: 0.7783399701790359
Energy: 0.7758408895728722
Energy: 0.7807172517939601
Energy: 0.8838387129553332
Energy: 0.978300036925056
Energy: 0.8838387129525332
Energy: 0.7600458514161275
Energy: 0.8071261526923372
Energy: 0.7839836587037743
Energy: 0.8071261526916371
Energy: 0.771858500873979
Energy: 0.8519305424024591
Energy: 0.9814146502959277
Energy: 0.8519305424024591
Energy: 0.7523571268808039
Energy: 0.7757030037888986
Energy: 0.7814191848579592
Energy: 0.7757030037888986
Energy: 0.7804574673805464
Energy: 0.8891559388958127
Energy: 1.3355410394190692
Energy: 0.8891559388986127

minimum gb energy = 0.7496730556858946 eV
minimum distance =  2.26422026637885 Angstroms
sigma value = 85


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

Energy: 1.1510039728322674
Energy: 0.773320994032399
Energy: 1.5075230152533259
Energy: 0.7733209940336132
Energy: 1.4046139237695907
Energy: 0.7593213116603912
Energy: 0.7139845686932224
Energy: 0.7593213116622125
Energy: 1.1084778237707142
Energy: 0.7661039308525458
Energy: 0.7509625266494887
Energy: 0.7661039308525458
Energy: 1.356124203000842
Energy: 0.7530229569493394
Energy: 0.7140394270376028
Energy: 0.7530229569511332
Energy: 0.8289072732362768
Energy: 0.7231955787622487
Energy: 0.8185660004629034
Energy: 0.7231955787634629
Energy: 1.212774043008012
Energy: 0.7645804600196153
Energy: 0.7139383380280439
Energy: 0.7645804600311502
Energy: 0.7886151440936923
Energy: 0.7756088263703367
Energy: 0.816652148317569
Energy: 0.7756088263703367
Energy: 1.0706117276463822
Energy: 0.7499770942925803
Energy: 0.7242444833916104
Energy: 0.74997709429683
Energy: 0.7225883315219986
Energy: 0.7296733407853413
Energy: 1.0400065846093507
Energy: 0.7296733407847342
Energy: 0.9184983481128653
Energy: 0.7683515433125157
Energy: 0.7894650262404791
Energy: 0.7683515433100873
Energy: 0.7140570382981611
Energy: 0.7516021907732374
Energy: 1.126338436911781
Energy: 0.7516021907787013
Energy: 0.7587033454008543
Energy: 0.7612695065800581
Energy: 0.8297990114897239
Energy: 0.761269506579451
Energy: 0.713269478558514
Energy: 0.7288845943113906
Energy: 1.3256759104545417
Energy: 0.7288845943101765
Energy: 0.6838427994095484
Energy: 0.766263868194406
Energy: 1.1092635575773753
Energy: 0.7662638681962273
Energy: 0.7140607968869018
Energy: 0.7515122106653052
Energy: 1.498148652275445
Energy: 0.7515122106659121
Energy: 0.6775690367747926
Energy: 0.7575941121678447
Energy: 1.0667331931615607
Energy: 0.7575941121672376
Energy: 0.7132558454447961
Energy: 0.7311001416928339
Energy: 1.4911856418434613
Energy: 0.7311001416916196
Energy: 0.8142815523574859
Energy: 0.7663238544287477
Energy: 1.1091469632301993
Energy: 0.766323854429962
Energy: 0.7140280558084495
Energy: 0.7527928066573762
Energy: 1.3562245773723394
Energy: 0.7527928066585904
Energy: 0.8803166874083589
Energy: 0.7574324423771133
Energy: 0.8296997327362722
Energy: 0.7574324423765063
Energy: 0.7147988769656036
Energy: 0.7402636321393004
Energy: 1.2127667920442728
Energy: 0.7402636321380861
Energy: 0.958558195279893
Energy: 0.751843191456224
Energy: 0.789436660144108
Energy: 0.7518431914550098
Energy: 0.7239035403449248
Energy: 0.7498601925533908
Energy: 1.070455881341885
Energy: 0.7498601925558193
Energy: 0.966437011443579
Energy: 0.778919968643661
Energy: 0.7234251349278811
Energy: 0.7789199686448751
Energy: 0.7918538107574402
Energy: 0.7528794691345172
Energy: 1.000889346560548
Energy: 0.7528794691357314
Energy: 1.2601493549081537
Energy: 0.7517878858847267
Energy: 0.713337887161198
Energy: 0.7517878858859409
Energy: 0.8318205535027828
Energy: 0.7498030062648244
Energy: 0.7578503606823201
Energy: 0.7498030062636103
Energy: 1.2730685486722841
Energy: 0.7789532678500086
Energy: 0.7141540464826972
Energy: 0.7789532678500086
Energy: 1.1114413523635864
Energy: 0.7681932468978637
Energy: 0.6837390561834624
Energy: 0.7681932468748215
Energy: 1.498342359436804
Energy: 0.7518560338668572
Energy: 0.715117526626409
Energy: 0.75185603386625
Energy: 1.1539564348457272
Energy: 0.7635037243998114
Energy: 0.6780552349020791
Energy: 0.7635037244004186
Energy: 1.382744490075125
Energy: 0.7749057687132975
Energy: 0.7140659204137151
Energy: 0.7749057687139047
Energy: 1.1113302980550044
Energy: 0.7682781453806421
Energy: 0.6810292085881128
Energy: 0.7682781453806421
Energy: 1.356318197644107
Energy: 0.7529287391068569
Energy: 0.7148808704176848
Energy: 0.7529287391062498
Energy: 0.8319781635528142
Energy: 0.7497448389600132
Energy: 0.8800962074125042
Energy: 0.7497448389587991
Energy: 1.0878498204285962
Energy: 0.7893844054264358
Energy: 0.7165995545214057
Energy: 0.789384405427043
Energy: 0.7918290474556637
Energy: 0.7530242090478309
Energy: 0.958862850383903
Energy: 0.7530242090478309
Energy: 1.0702911159549353
Energy: 0.7496354659159389
Energy: 0.7220087929381378
Energy: 0.7496354659141177
Energy: 0.7242503292414109
Energy: 0.7496416773279663
Energy: 0.9658244444759433
Energy: 0.7496416773273591
Energy: 0.7723896559076482
Energy: 0.8019730876259324
Energy: 0.7885479650087294
Energy: 0.8019730876277538
Energy: 0.7130067704808044
Energy: 0.7507579162756968
Energy: 1.2601430044207815
Energy: 0.7507579162726613
Energy: 0.7580244489073285
Energy: 0.7496867284006055
Energy: 0.8286606835634696
Energy: 0.7496867283999984
Energy: 0.7141690367658922
Energy: 0.7496693844071914
Energy: 1.2731558710555866
Energy: 0.7496693844071914

minimum gb energy = 0.6775690367747926 eV
minimum distance =  2.27355692002363 Angstroms
sigma value = 113


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

Energy: 0.02084988666102067
Energy: 0.021629183378617186
Energy: 1.4640785294838063
Energy: 0.02162918337908389
Energy: 1.0156491792564504
Energy: 0.44276274909466556
Energy: 0.4436808086096978
Energy: 0.44276274909466556
Energy: 0.02084988666102067
Energy: 0.021629183378617186
Energy: 1.464078529484273
Energy: 0.02162918337908389
Energy: 1.0156491792564504
Energy: 0.4427627490951323
Energy: 0.4436808086101645
Energy: 0.4427627490951323
Energy: 0.02084988666102067
Energy: 0.021629183378150476
Energy: 1.4640785294838063
Energy: 0.02162918337908389
Energy: 1.0156491792564504
Energy: 0.4427627490951323
Energy: 0.4436808086087643
Energy: 0.4427627490960657

minimum gb energy = 0.02084988666102067 eV
minimum distance =  2.48510358931515 Angstroms
sigma value = 1