Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8296494334936138
cohesive_energy=4.3759129323723
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.734619852999379e-20, 1.6394753060395198e-19, 2.66446780764102e-19, 3.97081854793926e-19, 4.755772946234879e-19, 5.10688995557598e-19, 5.32311971410062e-19, 5.493527220892859e-19, 5.67196163262144e-19, 5.86326152272104e-19, 6.053087410317359e-19, 6.223751265371039e-19, 6.367258226478419e-19, 6.486299950384619e-19, 6.58754149188708e-19, 6.67564518499074e-19, 6.753895491795299e-19, 6.822596825861219e-19, 6.88149283892706e-19, 6.929622225012419e-19, 6.966536374659779e-19, 6.99210711373842e-19, 7.006414551080039e-19, 7.010436014431379e-19, 7.00604605045422e-19, 6.991754634878939e-19, 6.965462916314999e-19, 6.92463945568068e-19, 6.86465396250372e-19, 6.78912735597696e-19, 6.709018524276959e-19, 6.63395654897406e-19, 6.552309627705419e-19, 6.4393401532420795e-19, 6.26926910354298e-19, 6.03413366073714e-19, 5.728486424268959e-19, 5.253184704026519e-19, 4.5302345414667e-19, 4.06653258005442e-19, 3.50118853298118e-19, 1.329479762186664e-19, -4.84658431785e-19, -1.70253697835376e-18, -3.71447028649926e-18, -7.482533381405819e-18, -1.540385487756522e-17, -3.36514771498824e-17, -5.96631352381992e-17, -7.103971086324299e-17, -7.10073468952362e-17, -7.10363462923116e-17, -7.12098620217738e-17, -7.15963070258946e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01377325435149872
Energy: 1.205796347921592
Energy: 3.935542732571112
Energy: 0.014408704597762325
Energy: 1.2057963479205969
Energy: 0.2249129374418848
Energy: 1.206838449784045
Energy: 0.2249129374418848
Energy: 3.9380893267890027
Energy: 1.206838449784045
Energy: 1.7169884383341274
Energy: 1.2068384497850402
Energy: 0.014408704598786015
Energy: 0.2249129374418848
Energy: 1.2068384497850402
Energy: 0.2249129374418848

minimum gb energy = 0.01377325435149872 eV
minimum distance =  2.40946100641137 Angstroms
sigma value = 1


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

Energy: 2.0463264077084946
Energy: 1.4350958569518462
Energy: 1.3073227268781977
Energy: 1.6668710347967073
Energy: 2.0880238720491193
Energy: 1.1597981535661086
Energy: 1.1567157320693986
Energy: 1.1597981535673503
Energy: 2.172804647077651
Energy: 1.1568217652290842
Energy: 1.1573418643766973
Energy: 1.1568217652290842
Energy: 2.172964776842884
Energy: 1.1575764637004113
Energy: 1.1565769554131076
Energy: 1.1575764637004113
Energy: 1.8446443504789007
Energy: 1.1580501463547126
Energy: 1.5360430802373664
Energy: 1.1580501463547126
Energy: 2.173057243529041
Energy: 1.1582936945143112
Energy: 1.45956249764642
Energy: 1.15829369451307
Energy: 2.0886411250480093
Energy: 1.1562551757234483
Energy: 1.470370916804235
Energy: 1.1562551757234483
Energy: 1.8485528812065612
Energy: 1.2279932337536072
Energy: 1.4711124058647755
Energy: 1.2279932337523658
Energy: 1.6560407538322595
Energy: 1.2277559446479378
Energy: 1.6755082160241317
Energy: 1.2277559446504207
Energy: 1.849888471285929
Energy: 1.2281888688923874
Energy: 1.8441396612451106
Energy: 1.228188868893629
Energy: 1.8486580862780837
Energy: 1.2287701438653589
Energy: 1.7493265401234617
Energy: 1.228770143867842
Energy: 1.4744556180145356
Energy: 1.2281363919093335
Energy: 1.8450178079753037
Energy: 1.228136391910575
Energy: 1.4696607810399231
Energy: 1.156128857142257
Energy: 1.8460472268208448
Energy: 1.1561288571434984
Energy: 1.4608012179274952
Energy: 1.1568857319439148
Energy: 2.1725235147129993
Energy: 1.1568857319439148
Energy: 1.460858131580855
Energy: 1.1573395523146128
Energy: 1.9359312964361006
Energy: 1.1573395523146128
Energy: 1.1567704881122838
Energy: 1.15701113825738
Energy: 2.165548983116844
Energy: 1.1570111382586217
Energy: 1.1573863533790438
Energy: 1.1568257634119519
Energy: 2.1736429065910183
Energy: 1.1568257634131935
Energy: 1.1562274549140696
Energy: 1.1573181471657907
Energy: 2.1726650374115466
Energy: 1.1573181471670322
Energy: 1.156536778978309
Energy: 1.1576286903982413
Energy: 2.052026107040368
Energy: 1.1576286903982413
Energy: 1.258254863425614
Energy: 1.1565357185617535
Energy: 2.170033239355525
Energy: 1.156535718560512
Energy: 1.267527360344388
Energy: 1.1567067900215573
Energy: 2.1726129902415736
Energy: 1.1567067900215573
Energy: 1.2675913773580427
Energy: 1.1561192969166512
Energy: 2.0531850752610876
Energy: 1.1561192969166512
Energy: 1.2862478273801379
Energy: 1.1564682294348316
Energy: 1.8444051111012993
Energy: 1.1564682294360729
Energy: 1.661198301832875
Energy: 1.1565930308017038
Energy: 2.053248817989327
Energy: 1.1565930308029453
Energy: 1.6574149213505318
Energy: 1.1568819041714948
Energy: 2.0537309170350118
Energy: 1.1568819041714948
Energy: 1.6567923196393963
Energy: 1.1570135217431863
Energy: 1.6573603164757293
Energy: 1.157013521746911
Energy: 1.6606943825134337
Energy: 1.1567287828427484
Energy: 1.6567065029818004
Energy: 1.1567287828402653
Energy: 2.0530437259699506
Energy: 1.1563524341384523
Energy: 1.656561522797242
Energy: 1.156352434139694
Energy: 1.9364417548883073
Energy: 1.1584594030926199
Energy: 1.6575882420573111
Energy: 1.1584594030913784
Energy: 1.9360081496484447
Energy: 1.156261654637848
Energy: 1.2673779538404353
Energy: 1.1562616546366062
Energy: 2.0536149598423865
Energy: 1.1561922145124817
Energy: 1.3110061908318256
Energy: 1.1561922145124817
Energy: 2.1730009822482876
Energy: 1.1571928980055861
Energy: 1.2563636906052214
Energy: 1.1571928980055861
Energy: 2.165358984947179
Energy: 1.157484358221797
Energy: 1.2586834161181606
Energy: 1.1574843582230387

minimum gb energy = 1.1561192969166512 eV
minimum distance =  2.28003022674384 Angstroms
sigma value = 1


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

Energy: 2.8652761172824066
Energy: 1.3408130218543344
Energy: 1.5727460331598375
Energy: 1.404023938956886
Energy: 2.086111754922912
Energy: 1.2083481442758146
Energy: 1.2086978433203346
Energy: 1.2083481442758146
Energy: 2.084932444879343
Energy: 1.2081748673915935
Energy: 1.2078442492956711
Energy: 1.2081748673915935
Energy: 2.0851846554704294
Energy: 1.208841244723475
Energy: 1.2092163136912508
Energy: 1.208841244723475
Energy: 1.8651224911847812
Energy: 1.2088443827793043
Energy: 1.4364396119346912
Energy: 1.2088443827793043
Energy: 2.0852315752526347
Energy: 1.208483216653981
Energy: 1.4377926542054469
Energy: 1.208483216653981
Energy: 2.0864409841233096
Energy: 1.20828901200609
Energy: 1.4439077582531776
Energy: 1.20828901200609
Energy: 1.8757489538315504
Energy: 1.2989216217908452
Energy: 1.4564931702306436
Energy: 1.2989216217908452
Energy: 1.8683400039888858
Energy: 1.2984366025652032
Energy: 1.7388802989016188
Energy: 1.2984366025652032
Energy: 1.8762121707642974
Energy: 1.2984890570523289
Energy: 1.867810132309565
Energy: 1.2984890570523289
Energy: 1.8762356306865096
Energy: 1.2990129680800162
Energy: 1.6511318292353072
Energy: 1.299012968081432
Energy: 1.5149489428255085
Energy: 1.2984427067813868
Energy: 1.6519925291554536
Energy: 1.2984427067828026
Energy: 1.442782090631544
Energy: 1.2084881272360455
Energy: 1.8751418691389155
Energy: 1.2084881272360455
Energy: 1.4291974581260416
Energy: 1.2096178755611096
Energy: 2.08593281903898
Energy: 1.209617875562493
Energy: 1.4345694032368836
Energy: 1.2088487008775362
Energy: 2.0693858987966394
Energy: 1.2088487008775362
Energy: 1.2084283287299187
Energy: 1.2083029910927943
Energy: 2.0682951253929853
Energy: 1.2083029910927943
Energy: 1.2081599453814174
Energy: 1.2082945922387889
Energy: 2.085039632110849
Energy: 1.2082945922387889
Energy: 1.2079331090602445
Energy: 1.2082920057870548
Energy: 2.0854538027497354
Energy: 1.2082920057870548
Energy: 1.2084013930309483
Energy: 1.2086593592209987
Energy: 1.865284344566192
Energy: 1.2086593592181674
Energy: 1.4393016392318156
Energy: 1.2084582843278302
Energy: 2.0855371278885944
Energy: 1.2084582843264144
Energy: 1.4431889317302737
Energy: 1.2080355631006636
Energy: 2.0850313433629117
Energy: 1.2080355631006636
Energy: 1.4577118152113644
Energy: 1.298858612902578
Energy: 1.8761363254467804
Energy: 1.298858612902578
Energy: 1.4532793893315268
Energy: 1.2985573463028042
Energy: 1.8682299330782035
Energy: 1.2985573463028042
Energy: 1.8684199155040606
Energy: 1.299361731211973
Energy: 1.875777974801603
Energy: 1.299361731211973
Energy: 1.6511535917378877
Energy: 1.298327692439904
Energy: 1.8750376313236592
Energy: 1.2983276924384883
Energy: 1.6507800968867687
Energy: 1.2995765705998121
Energy: 1.4294958114098093
Energy: 1.2995765705998121
Energy: 1.874055179277022
Energy: 1.2081698920530093
Energy: 1.572400317107359
Energy: 1.2081698920544248
Energy: 2.085917501516967
Energy: 1.208227807026964
Energy: 1.4289139043277033
Energy: 1.208227807026964
Energy: 2.0686012958610833
Energy: 1.2087172381188058
Energy: 1.43483743707962
Energy: 1.2087172381188058

minimum gb energy = 1.2078442492956711 eV
minimum distance =  2.28440812911234 Angstroms
sigma value = 25


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

Energy: 2.6843559161397414
Energy: 1.2988242218734294
Energy: 1.5182116475181757
Energy: 1.4329910862109843
Energy: 1.954618281451059
Energy: 1.3280549666856234
Energy: 1.3268188161121162
Energy: 1.3280549666856234
Energy: 2.027522035985105
Energy: 1.2983306685246674
Energy: 1.2985909494748304
Energy: 1.2983306685263127
Energy: 2.0280238860968964
Energy: 1.319914444649037
Energy: 1.2993067672302656
Energy: 1.319914444649037
Energy: 1.9006462718817683
Energy: 1.2986832287157832
Energy: 1.6648518028076427
Energy: 1.2986832287157832
Energy: 2.0282459717688837
Energy: 1.2984702493894247
Energy: 1.6611946644418583
Energy: 1.2984702493894247
Energy: 2.0283524855539925
Energy: 1.4035698517893807
Energy: 1.68391345409016
Energy: 1.4035698517893807
Energy: 1.686987681155217
Energy: 1.4029511682675164
Energy: 1.684049266101311
Energy: 1.4029511682675164
Energy: 1.6873540477337963
Energy: 1.40354633203495
Energy: 1.660080033772054
Energy: 1.40354633203495
Energy: 1.659450963416648
Energy: 1.2985378188772037
Energy: 2.027726142087736
Energy: 1.2985378188772037
Energy: 1.662357714655436
Energy: 1.2988153352132823
Energy: 2.0209907382353656
Energy: 1.2988153352132823
Energy: 1.2986523484723498
Energy: 1.299587657157796
Energy: 2.021105236796292
Energy: 1.2995876571594416
Energy: 1.2980710703869143
Energy: 1.2983509256414434
Energy: 2.0276143129381605
Energy: 1.298350925639798
Energy: 1.3294702097417344
Energy: 1.2987019303327956
Energy: 2.0269580190976133
Energy: 1.2987019303327956
Energy: 1.3198164507040058
Energy: 1.2988047701861751
Energy: 1.9014185039861273
Energy: 1.2988047701861751
Energy: 1.420504734488463
Energy: 1.2987131921695996
Energy: 2.023649538423005
Energy: 1.298713192171245
Energy: 1.4415409778962434
Energy: 1.2982805808874416
Energy: 2.0273205913362995
Energy: 1.2982805808874416
Energy: 1.4467877642660854
Energy: 1.2984268981155374
Energy: 1.9024348588104516
Energy: 1.2984268981155374
Energy: 1.4794193859191467
Energy: 1.298456483613888
Energy: 1.6822053817742266
Energy: 1.298456483613888
Energy: 1.902378462611219
Energy: 1.3972670008815002
Energy: 1.9027518419614884
Energy: 1.3972670008815002
Energy: 1.7773914750582802
Energy: 1.2984266641679496
Energy: 1.902955721128284
Energy: 1.2984266641679496
Energy: 1.776908966939905
Energy: 1.2986049668960948
Energy: 1.4464641195789443
Energy: 1.2986049668944493
Energy: 1.9033061324749283
Energy: 1.2985110862224534
Energy: 1.5022711889790903
Energy: 1.2985110862224534
Energy: 2.028450738826013
Energy: 1.298737544762613
Energy: 1.459749318888849
Energy: 1.298737544762613
Energy: 2.019810949001892
Energy: 1.2986147974440632
Energy: 1.4197418889072275
Energy: 1.2986147974440632

minimum gb energy = 1.2980710703869143 eV
minimum distance =  2.27503444161466 Angstroms
sigma value = 9


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

Energy: 2.4160611960737643
Energy: 1.4433508620261866
Energy: 1.8255160322172514
Energy: 1.536453728651807
Energy: 1.9317971085328491
Energy: 1.3352351050943108
Energy: 1.333932017371232
Energy: 1.3352351050943108
Energy: 1.9292424662568974
Energy: 1.3351219062490183
Energy: 1.3337828837691248
Energy: 1.3351219062490183
Energy: 1.9318506076022537
Energy: 1.4319879358294323
Energy: 1.3342685059112387
Energy: 1.4319879358294323
Energy: 1.8533474025345635
Energy: 1.3351736997110566
Energy: 1.6134988549729918
Energy: 1.3351736997114358
Energy: 1.9292518679147401
Energy: 1.4689847295214502
Energy: 1.6133878346815502
Energy: 1.4689847295189076
Energy: 1.9285598779351363
Energy: 1.3348437275501015
Energy: 1.3162022500471593
Energy: 1.3348437275501015
Energy: 1.6141612204291385
Energy: 1.4690476020366932
Energy: 1.6569538753961512
Energy: 1.4690476020366932
Energy: 1.6574974188518596
Energy: 1.469273905999702
Energy: 1.9315925915505585
Energy: 1.4692739059999027
Energy: 1.6144558263623165
Energy: 1.3345255274819523
Energy: 1.931680883316199
Energy: 1.3345255274819523
Energy: 1.6138916561803698
Energy: 1.3353149364522943
Energy: 1.8903004158733612
Energy: 1.3353149364522943
Energy: 1.3309683153715408
Energy: 1.3348996231514882
Energy: 1.8903566740816278
Energy: 1.334899623151689
Energy: 1.3348027172774868
Energy: 1.3354103620052526
Energy: 1.9321480711233523
Energy: 1.335410362005052
Energy: 1.334877420643874
Energy: 1.334771439714096
Energy: 1.9321603249593091
Energy: 1.3347714397162376
Energy: 1.3348786745042909
Energy: 1.335173914577239
Energy: 1.853738666406872
Energy: 1.335173914577239
Energy: 1.6121102462744843
Energy: 1.4149442984750382
Energy: 1.9316817446149583
Energy: 1.4149442984748597
Energy: 1.3162418661239983
Energy: 1.3352844858459407
Energy: 1.9291584864025126
Energy: 1.33528448584574
Energy: 1.316305661736482
Energy: 1.468840578494176
Energy: 1.6152082122668154
Energy: 1.4688405784965406
Energy: 1.6573771841591518
Energy: 1.4698933724943433
Energy: 1.656946478677378
Energy: 1.4698933724935626
Energy: 1.9317246417116722
Energy: 1.4693752960657191
Energy: 1.6127949365906598
Energy: 1.4693752960655184
Energy: 1.8906170469883483
Energy: 1.3357554830594376
Energy: 1.6140508656475512
Energy: 1.3357554830594376

minimum gb energy = 1.3162022500471593 eV
minimum distance =  2.28649047802391 Angstroms
sigma value = 25


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

Energy: 2.115063781538679
Energy: 1.4792486330045227
Energy: 1.6878888820615803
Energy: 1.5430903126325304
Energy: 1.786870040623478
Energy: 1.4956598160486105
Energy: 1.4961384043488188
Energy: 1.4956598160486105
Energy: 1.788149237417189
Energy: 1.4888601322925972
Energy: 1.4888157333797454
Energy: 1.4888601322925972
Energy: 1.7870024494012835
Energy: 1.4792384962994156
Energy: 1.4791875271743988
Energy: 1.4792384962994156
Energy: 1.6846688589296874
Energy: 1.5604613518829173
Energy: 1.7881255390405837
Energy: 1.5604613518829173
Energy: 1.787847560473062
Energy: 1.5928696510115161
Energy: 1.7875656908000466
Energy: 1.592869651011268
Energy: 1.7876748391922408
Energy: 1.5611551671793829
Energy: 1.8743965565702743
Energy: 1.5611551671793829
Energy: 1.479344420597825
Energy: 1.4792126527874452
Energy: 1.870602411835259
Energy: 1.4792126527874452
Energy: 1.4796360140727192
Energy: 1.488495449437244
Energy: 1.7874624011878602
Energy: 1.488495449437244
Energy: 1.5917002640852527
Energy: 1.4956220127364952
Energy: 1.7886757069673935
Energy: 1.495622012736247
Energy: 1.4788950080613374
Energy: 1.4790454791155692
Energy: 1.8617303481933853
Energy: 1.4790454791158176
Energy: 1.618700558195413
Energy: 1.4953696144053876
Energy: 1.7824167966122775
Energy: 1.4953696144056359
Energy: 1.69604839456872
Energy: 1.4882171909574053
Energy: 1.7882865906079024
Energy: 1.4882171909576538
Energy: 1.6958725163885648
Energy: 1.4884003110648227
Energy: 1.7006301325248843
Energy: 1.4884003110650712
Energy: 1.679580365835594
Energy: 1.48833716063597
Energy: 1.6966541533214425
Energy: 1.4883371606362186
Energy: 1.7865741693680939
Energy: 1.4887292273192743
Energy: 1.699404597055846
Energy: 1.4887292273192743
Energy: 1.8178386428475748
Energy: 1.489326918227378
Energy: 1.6186789140650915
Energy: 1.4893269182271298

minimum gb energy = 1.4788950080613374 eV
minimum distance =  2.25789465238465 Angstroms
sigma value = 17


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

Energy: 2.678394468814764
Energy: 1.5208627593438042
Energy: 1.6316451654671835
Energy: 1.5083792141751267
Energy: 1.7962861849596952
Energy: 1.5362895033624648
Energy: 1.5363323943761424
Energy: 1.5362895033624648
Energy: 1.7711664232960265
Energy: 1.5361398583369013
Energy: 1.5373265895820554
Energy: 1.5361398583369013
Energy: 1.7713489670357567
Energy: 1.5210043524918562
Energy: 1.5217414803366833
Energy: 1.5210043524918562
Energy: 1.7711828391451832
Energy: 1.595788299213912
Energy: 1.7602850875403444
Energy: 1.595788299213912
Energy: 1.7719159053925946
Energy: 1.5327155777452348
Energy: 1.7770630336153743
Energy: 1.5327155777452348
Energy: 1.6811838445929066
Energy: 1.5297710468912655
Energy: 1.7651126765613685
Energy: 1.5297710468912655
Energy: 1.5446919252908629
Energy: 1.5323444963697659
Energy: 1.7784069697402733
Energy: 1.5323444963697659
Energy: 1.5356474660806827
Energy: 1.5355104632657883
Energy: 1.777954801523727
Energy: 1.5355104632657883
Energy: 1.5219853228503906
Energy: 1.5297505469791781
Energy: 1.7778172502973721
Energy: 1.5297505469791781
Energy: 1.5366394297997705
Energy: 1.5337311186159068
Energy: 1.7730016324736402
Energy: 1.5337311186159068
Energy: 1.7861750852967284
Energy: 1.521826886249957
Energy: 1.777663856337547
Energy: 1.521826886249957
Energy: 1.7660545988109027
Energy: 1.5169815525291852
Energy: 1.743558260101943
Energy: 1.5169815525291852
Energy: 1.7674765451757413
Energy: 1.5334699599809798
Energy: 1.5235717161605011
Energy: 1.5334699599727304
Energy: 1.7779020469992848
Energy: 1.529637957058177
Energy: 1.5221682974173603
Energy: 1.529637957056802
Energy: 1.7777737703911927
Energy: 1.533106014484952
Energy: 1.547538189952823
Energy: 1.533106014484952
Energy: 1.7904052271180002
Energy: 1.5303379436442681
Energy: 1.5286238643006949
Energy: 1.5303379436442681
Energy: 1.7904047242765857
Energy: 1.5301120600755296
Energy: 1.681082237208593
Energy: 1.5301120600755296
Energy: 1.7775225727604689
Energy: 1.5324776958244068
Energy: 1.7702902401918656
Energy: 1.5324776958244068
Energy: 1.5364523427000756
Energy: 1.5962328507494294
Energy: 1.7652307991992318
Energy: 1.5962328507494294
Energy: 1.5211738795133756
Energy: 1.520913097674167
Energy: 1.7704754677917738
Energy: 1.520913097674167
Energy: 1.5358906455108716
Energy: 1.536146641793625
Energy: 1.771011039751732
Energy: 1.536146641793625
Energy: 1.5362236039082737
Energy: 1.5806521315112272
Energy: 1.7759894760679722
Energy: 1.5806521315112272
Energy: 1.5960092205476049
Energy: 1.5373584092717514
Energy: 1.7897985442655768
Energy: 1.5373584092717514
Energy: 1.666420781118948
Energy: 1.5362943595436038
Energy: 1.7715908911586364
Energy: 1.5362943595436038
Energy: 1.6536950814446303
Energy: 1.5363733879843964
Energy: 1.7721800731572452
Energy: 1.5363733879843964
Energy: 1.6578240737197298
Energy: 1.616497951632583
Energy: 1.658329252812675
Energy: 1.616497951632583
Energy: 1.7710373112685702
Energy: 1.536352375811551
Energy: 1.654866479212854
Energy: 1.536352375812926
Energy: 1.7921494295521114
Energy: 1.5362650974499679
Energy: 1.5973314996601506
Energy: 1.5362650974499679
Energy: 1.8095021552768467
Energy: 1.5372795310393899
Energy: 1.5973382576664212
Energy: 1.5372795310393899

minimum gb energy = 1.5083792141751267 eV
minimum distance =  2.24375162478178 Angstroms
sigma value = 53


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

Energy: 1.408444890909263
Energy: 1.9432381822229479
Energy: 1.447095570608031
Energy: 1.4152393978835414
Energy: 1.447802321576056
Energy: 1.451053248791373
Energy: 1.447081849291894
Energy: 1.451053248791373
Energy: 1.4489342315907883
Energy: 1.4496210859408405
Energy: 1.4449711717194607
Energy: 1.4496210859411642
Energy: 1.4453827537782784
Energy: 1.4502621255631385
Energy: 1.4471356729430653
Energy: 1.4502621255631385
Energy: 1.4460002007960693
Energy: 1.4506825339573473
Energy: 1.4475793612577514
Energy: 1.4506825339573473
Energy: 1.445440168919072
Energy: 1.4506373298952886
Energy: 1.4498694820230515
Energy: 1.4506373298956123
Energy: 1.4478710906772672
Energy: 1.4495772052787943
Energy: 1.4087938462535634
Energy: 1.4495772052781468
Energy: 1.4481484031193614
Energy: 1.452840739038367
Energy: 1.4086333314012935
Energy: 1.452840739038367
Energy: 1.4457174704303848
Energy: 1.450097385085823
Energy: 1.4487061712675022
Energy: 1.4500973850861465
Energy: 1.446181152158204
Energy: 1.451156318398491
Energy: 1.4461103155024218
Energy: 1.4511563183981673
Energy: 1.4474476626130186
Energy: 1.4450049916993344
Energy: 1.448738116484942
Energy: 1.4450049916993344
Energy: 1.4455148318671553
Energy: 1.5455177564395302
Energy: 1.4456408723377445
Energy: 1.545517756439854
Energy: 1.408631560372981
Energy: 1.4494813008890113
Energy: 1.4478562580162853
Energy: 1.449481300889335

minimum gb energy = 1.408444890909263 eV
minimum distance =  2.21990126144274 Angstroms
sigma value = 9


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

Energy: 2.4687320982244394
Energy: 1.7047137640094456
Energy: 1.8092775552338272
Energy: 1.7005131931664694
Energy: 1.8025260500722464
Energy: 1.6781543003614527
Energy: 1.8314537212588318
Energy: 1.6781543003614527
Energy: 1.7153798733807044
Energy: 1.6522864429754436
Energy: 1.64602021481036
Energy: 1.6522864429754436
Energy: 1.646404587269537
Energy: 1.625241317233279
Energy: 1.6463949071119206
Energy: 1.6252413172343974
Energy: 1.6466696736934423
Energy: 1.6523936606743752
Energy: 1.6474848161479496
Energy: 1.6523936606755465
Energy: 1.7135995819421939
Energy: 1.6199995297096046
Energy: 1.7957007682619925
Energy: 1.6199995297107759
Energy: 1.7141719003761697
Energy: 1.7121605033417353
Energy: 1.959877978006157
Energy: 1.7121605033417353
Energy: 1.7920477225270297
Energy: 1.713861952364166
Energy: 1.9603690304555426
Energy: 1.713861952364166
Energy: 1.8243462615720218
Energy: 1.5717972420890853
Energy: 1.7533281346197696
Energy: 1.5717972420890853
Energy: 1.7039874520153924
Energy: 1.685182821891748
Energy: 1.5713177239419833
Energy: 1.6851828218905767
Energy: 1.824603090596975
Energy: 1.572761843999975
Energy: 1.5717309100571908
Energy: 1.572761843999975
Energy: 1.83531514216939
Energy: 1.6626114339188844
Energy: 1.6735231095417942
Energy: 1.6626114339188844
Energy: 1.8935881678766655
Energy: 1.674254227015535
Energy: 1.6747603987566635
Energy: 1.674254227015535
Energy: 1.89325356431641
Energy: 1.6751962531522764
Energy: 1.8695148690529162
Energy: 1.6751962531522764
Energy: 1.9074851813356508
Energy: 1.6640653712439077
Energy: 1.943897719237294
Energy: 1.6640653712427362
Energy: 1.723125735658602
Energy: 1.66043202556227
Energy: 1.9277829848406196
Energy: 1.66043202556227
Energy: 1.5713733056437897
Energy: 1.571730042073226
Energy: 1.9479029686344291
Energy: 1.571730042073226
Energy: 1.6299463792582312
Energy: 1.6242497082170466
Energy: 1.9013351276713952
Energy: 1.6242497082170466
Energy: 1.6099705908014388
Energy: 1.6521809004687462
Energy: 1.8927811181248306
Energy: 1.6521809004687462
Energy: 1.6310398168347984
Energy: 1.6218094476577276
Energy: 1.9644614831431189
Energy: 1.6218094476577276
Energy: 1.8932739407890669
Energy: 1.6635512911138666
Energy: 1.892977818327857
Energy: 1.6635512911138666
Energy: 1.8674391880264012
Energy: 1.6172024994388294
Energy: 1.8820399176771956
Energy: 1.6172024994400012
Energy: 1.861684696612554
Energy: 1.6222116439184553
Energy: 1.616181171022737
Energy: 1.6222116439196268
Energy: 1.892950448504856
Energy: 1.662459982743648
Energy: 1.6120724881619535
Energy: 1.662459982743648
Energy: 1.945033987009838
Energy: 1.6715319005888025
Energy: 1.5720365803748149
Energy: 1.6715319005888025
Energy: 1.8207426254030925
Energy: 1.6614030755718812
Energy: 1.571807873926287
Energy: 1.6614030755730524
Energy: 1.947311803332049
Energy: 1.5713319827347245
Energy: 1.9075508358785145
Energy: 1.5713319827347245
Energy: 1.868743025155606
Energy: 1.6988495679961646
Energy: 1.918313018016768
Energy: 1.6988495679973363
Energy: 1.674420770833021
Energy: 1.6324075606366222
Energy: 1.9894019927730262
Energy: 1.6324075606366222
Energy: 1.6827843473204112
Energy: 1.66196204547228
Energy: 1.9075460679990472
Energy: 1.66196204547228
Energy: 1.5719875318045802
Energy: 1.6205425729472573
Energy: 1.8252914052749063
Energy: 1.6205425729484288
Energy: 1.5721319637557882
Energy: 1.5720255880307616
Energy: 1.823062043775209
Energy: 1.57202558802959
Energy: 1.571087337600948
Energy: 1.6851835614574933
Energy: 1.821569804468756
Energy: 1.6851835614563218
Energy: 1.7958139595294995
Energy: 1.6160268434943266
Energy: 1.8334545277312173
Energy: 1.6160268434943266
Energy: 2.0332169109164004
Energy: 1.708880699268222
Energy: 1.7915240813165776
Energy: 1.708880699268222

minimum gb energy = 1.571087337600948 eV
minimum distance =  2.19692844903666 Angstroms
sigma value = 73


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

Energy: 2.3750249098181424
Energy: 1.7549867712720606
Energy: 1.89561461210692
Energy: 1.754277888113676
Energy: 1.9056532519042542
Energy: 1.710831982689024
Energy: 1.8266817570221452
Energy: 1.710831982689024
Energy: 1.7559268424988754
Energy: 1.674287504725644
Energy: 1.6882565419172908
Energy: 1.674287504725644
Energy: 1.6879145915231808
Energy: 1.674893013125295
Energy: 1.6880956903506514
Energy: 1.674893013125295
Energy: 1.6869453921401711
Energy: 1.6907473909442245
Energy: 1.6877662235157687
Energy: 1.6907473909442245
Energy: 1.7570526351619864
Energy: 1.6453989649475165
Energy: 1.8212618537500127
Energy: 1.6453989649475165
Energy: 1.7580303828802593
Energy: 1.7548680649809147
Energy: 2.0041664987457466
Energy: 1.7548680649809147
Energy: 1.9155924675839122
Energy: 1.7547225195146516
Energy: 2.0034615045840414
Energy: 1.7547225195165106
Energy: 1.9378090290350105
Energy: 1.5755752556168912
Energy: 1.8225670179701665
Energy: 1.5755752556168912
Energy: 1.7774432493484287
Energy: 1.5745780631181587
Energy: 1.5768089360546336
Energy: 1.5745780631181587
Energy: 1.9377355951985233
Energy: 1.6440002238866576
Energy: 1.572738383286483
Energy: 1.6440002238866576
Energy: 1.9184380091881155
Energy: 1.727762487644634
Energy: 1.6171684534007902
Energy: 1.727762487644634
Energy: 1.9666866529820324
Energy: 1.6172728693376914
Energy: 1.6170875911203266
Energy: 1.6172728693376914
Energy: 1.9676896791803993
Energy: 1.6179334884088137
Energy: 2.002549293039183
Energy: 1.6179334884088137
Energy: 2.0065598711089025
Energy: 1.7359430832802738
Energy: 2.0064484899135824
Energy: 1.7359430832802738
Energy: 1.9835256315106873
Energy: 1.6174072449442412
Energy: 2.011527380316963
Energy: 1.6174072449442412
Energy: 1.6171197293351192
Energy: 1.6171440980851053
Energy: 2.0112596566066476
Energy: 1.6171440980832468
Energy: 1.6105400824151184
Energy: 1.6857757424276916
Energy: 1.9168491670218926
Energy: 1.6857757424276916
Energy: 1.5743212964718372
Energy: 1.5754475090449669
Energy: 1.9371199599162339
Energy: 1.5754475090449669
Energy: 1.5762079713746193
Energy: 1.5744465250792912
Energy: 1.9363867495875895
Energy: 1.5744465250792912
Energy: 1.8309183727902552
Energy: 1.5753719294437307
Energy: 1.9381059723610934
Energy: 1.5753719294437307
Energy: 2.1235374456217184
Energy: 1.6892961515992797
Energy: 1.9095430840047334
Energy: 1.6892961516011387

minimum gb energy = 1.572738383286483 eV
minimum distance =  2.22215620996855 Angstroms
sigma value = 7


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

Energy: 2.7362864870649597
Energy: 1.74277309856819
Energy: 1.9652405088964409
Energy: 1.6458022709502997
Energy: 1.8812538552434648
Energy: 1.6485910867626419
Energy: 1.8115192551493307
Energy: 1.6485910867639564
Energy: 1.7625525470969563
Energy: 1.6361784534800403
Energy: 1.7119776285548294
Energy: 1.6361784534800403
Energy: 1.7114174020170736
Energy: 1.6365855779388274
Energy: 1.7109388036113626
Energy: 1.6365855779388274
Energy: 1.7098115561994907
Energy: 1.6995644665258383
Energy: 1.7124946995087365
Energy: 1.699564466524524
Energy: 1.7572681438014737
Energy: 1.7078915529219367
Energy: 1.7127642217104557
Energy: 1.7078915529219367
Energy: 1.7445693811455616
Energy: 1.7448333066274748
Energy: 1.962865852140554
Energy: 1.7448333066274748
Energy: 2.025369701672935
Energy: 1.6474094035431648
Energy: 1.9611269808376162
Energy: 1.6474094035431648
Energy: 1.9710559483182
Energy: 1.583645117873495
Energy: 1.8225242565617528
Energy: 1.5836451178748094
Energy: 1.8444368837306053
Energy: 1.5853728150380215
Energy: 1.585064215038723
Energy: 1.5853728150367368
Energy: 1.9696120743757177
Energy: 1.662763292696006
Energy: 1.5812390087902388
Energy: 1.6627632926946918
Energy: 1.978037170603408
Energy: 1.6990574410534705
Energy: 1.5831993443015564
Energy: 1.6990574410534705
Energy: 1.9704040013670132
Energy: 1.5839790022114846
Energy: 1.5857726321760552
Energy: 1.5839790022114846
Energy: 1.9719976539362574
Energy: 1.5842852987881257
Energy: 1.8095918583408994
Energy: 1.5842852987868115
Energy: 2.032420029051388
Energy: 1.6977330058745255
Energy: 1.8823531651534802
Energy: 1.697733005873211
Energy: 1.9443179637244483
Energy: 1.6774510391744282
Energy: 2.0156648171280396
Energy: 1.677451039173114
Energy: 1.8117101022487998
Energy: 1.6465543586350033
Energy: 2.0180541346988354
Energy: 1.6465543586350033
Energy: 1.7405271796173072
Energy: 1.6615868741423483
Energy: 1.8710462188016512
Energy: 1.6615868741410342
Energy: 1.707219464553053
Energy: 1.6376840883609762
Energy: 1.713936374516403
Energy: 1.6376840883609762
Energy: 1.712236147937448
Energy: 1.6988416814513116
Energy: 1.7065783664953276
Energy: 1.6988416814513116
Energy: 1.7118202856388474
Energy: 1.6624796074497497
Energy: 1.7445218218486387
Energy: 1.6624796074497497
Energy: 1.9611575735639095
Energy: 1.8109270926207657
Energy: 1.7612193797416709
Energy: 1.8109270926207657
Energy: 1.9604069434850582
Energy: 1.8118693962694072
Energy: 1.945649628182763
Energy: 1.8118693962694072
Energy: 1.8235344062825753
Energy: 1.6619330736837004
Energy: 1.9721979213347725
Energy: 1.6619330736837004
Energy: 1.8230414775106725
Energy: 1.722539580227378
Energy: 1.8434700912716273
Energy: 1.722539580227378
Energy: 1.5830354517317728
Energy: 1.5832795346786261
Energy: 1.845192199502806
Energy: 1.5832795346786261
Energy: 1.5946214191840888
Energy: 1.5981318908748035
Energy: 2.00583893482417
Energy: 1.5981318908748035
Energy: 1.5835685553935115
Energy: 1.583429564217615
Energy: 1.9705916381135684
Energy: 1.583429564217615
Energy: 1.5842236661841342
Energy: 1.72334110050673
Energy: 1.972008573600985
Energy: 1.72334110050673
Energy: 1.882221378551168
Energy: 1.6632736088892832
Energy: 1.9784124304456479
Energy: 1.663273608887969
Energy: 2.015275599776314
Energy: 1.647121816405629
Energy: 1.9445032854994324
Energy: 1.6471218164043149

minimum gb energy = 1.5812390087902388 eV
minimum distance =  2.2103829028579 Angstroms
sigma value = 29


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

Energy: 1.9120432307253927
Energy: 1.7281603751811363
Energy: 2.200554281768855
Energy: 1.476830163642507
Energy: 1.648020545964223
Energy: 1.5484011474014467
Energy: 1.647770781225194
Energy: 1.5484011474014467
Energy: 1.6485049970517744
Energy: 1.5457947008454043
Energy: 1.6846559211460768
Energy: 1.5457947008454043
Energy: 1.6801130247117724
Energy: 1.5391149040503374
Energy: 1.430146407290065
Energy: 1.5391149040503374
Energy: 1.6776408770906666
Energy: 1.5394102088408157
Energy: 1.695754671838579
Energy: 1.5394102088408157
Energy: 1.6824713218098648
Energy: 1.5394610524528276
Energy: 1.6967273873689834
Energy: 1.5394610524528276
Energy: 1.7295786447010606
Energy: 1.7287772687508731
Energy: 1.663914046291119
Energy: 1.7287772687513308
Energy: 1.7278091223428302
Energy: 1.5475168044712846
Energy: 1.6980087434590025
Energy: 1.5475168044712846
Energy: 1.897651659431691
Energy: 1.5422154710564995
Energy: 1.6945925477745964
Energy: 1.5422154710564995

minimum gb energy = 1.430146407290065 eV
minimum distance =  2.27598220207997 Angstroms
sigma value = 5


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

Energy: 2.2313785401598185
Energy: 2.0054439327802642
Energy: 2.394514232402843
Energy: 1.8949909587689582
Energy: 1.5475227413633652
Energy: 1.6072350766231989
Energy: 1.8532705664118378
Energy: 1.6072350766182328
Energy: 1.5454425822823756
Energy: 1.5477300768070645
Energy: 1.6507086726044058
Energy: 1.5477300768070645
Energy: 1.544248082280222
Energy: 1.5485748197581806
Energy: 1.8826569691828834
Energy: 1.5485748197581806
Energy: 1.5441157569393233
Energy: 1.6109370112602446
Energy: 1.6510091487306302
Energy: 1.6109370112590031
Energy: 1.5639762323875173
Energy: 1.5688056226528244
Energy: 1.7701382762508957
Energy: 1.5688056226528244
Energy: 1.5638121373882286
Energy: 1.569243964226118
Energy: 1.7958590456997015
Energy: 1.5692439642273597
Energy: 1.5653967938439772
Energy: 1.5678486008793078
Energy: 1.7935668468361183
Energy: 1.5678486008805494
Energy: 1.5674515414190806
Energy: 1.567950543573021
Energy: 1.770608193970233
Energy: 1.5679505435717795
Energy: 1.6490058425177467
Energy: 1.7723543989524335
Energy: 1.9114978981849027
Energy: 1.772354398953675
Energy: 1.566964795169732
Energy: 1.568117324116295
Energy: 1.8400295086095664
Energy: 1.5681173241175363
Energy: 1.9238318669823615
Energy: 1.5682003507344617
Energy: 1.708995987950284
Energy: 1.5682003507332203
Energy: 1.770574285147188
Energy: 1.698075093546029
Energy: 1.7365172588925943
Energy: 1.6980750935447873
Energy: 1.6269696371436995
Energy: 1.5696537409157187
Energy: 1.566939854240064
Energy: 1.5696537409157187
Energy: 1.7957894650425432
Energy: 1.5686062581873308
Energy: 1.565787656726619
Energy: 1.5686062581860896
Energy: 1.7948688406826803
Energy: 1.5681980010699137
Energy: 1.5616645957382007
Energy: 1.5681980010699137
Energy: 1.6501328036277798
Energy: 1.5688769920126953
Energy: 1.565193562638497
Energy: 1.5688769920139367
Energy: 1.6793210777642078
Energy: 1.54750702261929
Energy: 1.5428588048592153
Energy: 1.5475070226205314
Energy: 1.6506765087375184
Energy: 1.543378643202016
Energy: 1.544794438446332
Energy: 1.543378643202016
Energy: 1.6515269214321273
Energy: 1.54855257648433
Energy: 1.5458747494974916
Energy: 1.5485525764830885
Energy: 2.0033602106282777
Energy: 1.591422675115231
Energy: 1.637557907873212
Energy: 1.591422675115231
Energy: 2.0727984759991114
Energy: 1.58978744102353
Energy: 1.7837020026643569
Energy: 1.5897874410222885
Energy: 1.65151928624775
Energy: 1.5438650421512807
Energy: 1.5458897034041146
Energy: 1.5438650421512807
Energy: 1.7111041279994812
Energy: 1.5651245805916303
Energy: 1.6817590584444337
Energy: 1.5651245805916303
Energy: 1.709385285021562
Energy: 1.54836072897892
Energy: 1.6008599213715011
Energy: 1.54836072897892
Energy: 1.6518091665796213
Energy: 1.5915145957025272
Energy: 1.651322305891022
Energy: 1.5915145957037689
Energy: 1.6415848400878412
Energy: 1.606950331710326
Energy: 1.642869018315197
Energy: 1.6069503317090843
Energy: 1.6434671580418836
Energy: 1.5895641236743203
Energy: 1.6511006435429882
Energy: 1.5895641236743203
Energy: 1.5638985100537866
Energy: 1.6080228849213933
Energy: 1.6554330214814295
Energy: 1.6080228849201519
Energy: 1.6016662574176348
Energy: 1.5643086174542247
Energy: 1.80812851664774
Energy: 1.564308617452983
Energy: 1.6820154268558472
Energy: 1.5642967595084114
Energy: 1.808365304932345
Energy: 1.5642967595084114
Energy: 1.5475603589839273
Energy: 1.5658421067228436
Energy: 1.7792917834828568
Energy: 1.5658421067228436
Energy: 1.574675045474282
Energy: 1.9277223630296563
Energy: 2.0243420194385786
Energy: 1.927722363030898

minimum gb energy = 1.5428588048592153 eV
minimum distance =  2.20512497541032 Angstroms
sigma value = 1


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

Energy: 2.2644129359371363
Energy: 1.8169896431076904
Energy: 2.192860659652437
Energy: 1.51052315274489
Energy: 1.5608077312746824
Energy: 1.5260696526979454
Energy: 1.5314852167228856
Energy: 1.5260696526979454
Energy: 1.5346720284487085
Energy: 1.5246925001022453
Energy: 1.6049917461665084
Energy: 1.5246925001022453
Energy: 1.5294467226979775
Energy: 1.52927802914911
Energy: 1.5476695682272639
Energy: 1.52927802914911
Energy: 1.5314525487318025
Energy: 1.5687983137645356
Energy: 1.6061870331894568
Energy: 1.5687983137628194
Energy: 1.5294201761467694
Energy: 1.528473613264825
Energy: 1.6056346344298011
Energy: 1.5284736132631083
Energy: 1.529679718049904
Energy: 1.528654591120728
Energy: 1.6066453194321362
Energy: 1.528654591120728
Energy: 1.5347393610105746
Energy: 1.5255299753622855
Energy: 1.6050514054131375
Energy: 1.5255299753622855
Energy: 1.5359592829133601
Energy: 1.5256526401314872
Energy: 1.531500166821224
Energy: 1.5256526401314872
Energy: 1.5951534288429792
Energy: 1.8151816392803046
Energy: 1.8143919800437662
Energy: 1.8151816392803046
Energy: 1.5347149832921678
Energy: 1.5259064050013464
Energy: 1.5341515195900126
Energy: 1.5259064050013464
Energy: 1.5338802066336503
Energy: 1.5261673801363573
Energy: 1.5467370886325165
Energy: 1.5261673801363573
Energy: 1.5284289026134157
Energy: 1.5285354606576975
Energy: 1.5461047892058313
Energy: 1.5285354606576975
Energy: 1.5318038131680372
Energy: 1.5752166846637208
Energy: 1.5355937563788253
Energy: 1.5752166846637208
Energy: 1.5472243231328722
Energy: 1.5281353199071237
Energy: 1.534336711514389
Energy: 1.5281353199071237
Energy: 1.544968942189912
Energy: 1.5233999047877993
Energy: 1.532428719402253
Energy: 1.523399904789516
Energy: 1.6026881921064748
Energy: 1.5230544144061073
Energy: 1.5337929085531845
Energy: 1.5230544144061073
Energy: 1.605370930957753
Energy: 1.5252401734029906
Energy: 1.529804018761974
Energy: 1.525240173401274
Energy: 1.6064755926580851
Energy: 1.539623175911584
Energy: 1.5333711836110882
Energy: 1.5396231759098677
Energy: 1.531641317571789
Energy: 1.5271112092232138
Energy: 1.5349132196403803
Energy: 1.5271112092232138
Energy: 1.79054993304421
Energy: 1.526592056747391
Energy: 1.5956175041795406
Energy: 1.526592056747391
Energy: 1.8171141319529842
Energy: 1.5281711053704665
Energy: 1.5948143704955542
Energy: 1.5281711053721831
Energy: 1.5349408168565444
Energy: 1.5235552610568606
Energy: 1.534096003599126
Energy: 1.5235552610585774
Energy: 1.5462996839846703
Energy: 1.527965744488971
Energy: 1.532734657314063
Energy: 1.5279657444906878

minimum gb energy = 1.51052315274489 eV
minimum distance =  2.20847647774779 Angstroms
sigma value = 17


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

Energy: 2.272220836600311
Energy: 2.002744497713613
Energy: 2.311918146412362
Energy: 1.8956712122604047
Energy: 1.5249634720359548
Energy: 1.548400395009166
Energy: 1.659876403513066
Energy: 1.548400395008105
Energy: 1.5249612383426752
Energy: 1.5283674992703227
Energy: 1.5579593604228044
Energy: 1.5283674992703227
Energy: 1.52623212767318
Energy: 1.5229669511355863
Energy: 1.5570518864738896
Energy: 1.5229669511366473
Energy: 1.5243470782322746
Energy: 1.5788961971425415
Energy: 1.5584939499098487
Energy: 1.5788961971425415
Energy: 1.5880616211981435
Energy: 1.5528313193349716
Energy: 1.5943674425316325
Energy: 1.5528313193349716
Energy: 1.5882963609912175
Energy: 1.5528632610052597
Energy: 1.593430127274298
Energy: 1.5528632610052597
Energy: 1.5883099379243422
Energy: 1.5552901135423918
Energy: 1.5895269800438678
Energy: 1.5552901135423918
Energy: 1.5584631681668484
Energy: 1.5279178603650447
Energy: 1.525113651620476
Energy: 1.527917860363984
Energy: 1.665749248484975
Energy: 1.5527624712713335
Energy: 1.5241705687397098
Energy: 1.5527624712713335
Energy: 1.5601245740189789
Energy: 1.5235891370036174
Energy: 1.5248410083387451
Energy: 1.5235891370025565
Energy: 1.784221369379822
Energy: 1.5476170928129798
Energy: 1.5439366730992468
Energy: 1.5476170928076751
Energy: 1.9490082475491006
Energy: 1.5511904756316939
Energy: 1.5408975947384738
Energy: 1.551190475630633
Energy: 1.544107466168351
Energy: 1.5248902257818666
Energy: 1.5245612916575857
Energy: 1.5248902257829275
Energy: 1.5558894737191353
Energy: 1.5289647805932816
Energy: 1.654825103125892
Energy: 1.5289647805932816
Energy: 1.5574938376353997
Energy: 1.529547355474931
Energy: 1.6125221379703436
Energy: 1.529547355475992
Energy: 1.5445239033391185
Energy: 1.549973984089179
Energy: 1.5991999289749923
Energy: 1.549973984089179
Energy: 1.5460912180501374
Energy: 1.5496658873104558
Energy: 1.6813873379673947
Energy: 1.5496658873115168
Energy: 1.5447465946069707
Energy: 1.5470644855578304
Energy: 1.6836891306318615
Energy: 1.5470644855578304
Energy: 1.523856854840951
Energy: 1.5922284382991223
Energy: 1.687376028712988
Energy: 1.5922284382991223
Energy: 1.5236471624021928
Energy: 1.5363269093704472
Energy: 1.6646053245827879
Energy: 1.536326909369386
Energy: 1.523525336598233
Energy: 1.5364332477378169
Energy: 1.6641824307917736
Energy: 1.5364332477378169
Energy: 1.5246567963197917
Energy: 1.5325348366310643
Energy: 1.5506674874465423
Energy: 1.5325348366310643
Energy: 1.5580379214976494
Energy: 1.6086584327082711
Energy: 1.7900312886395182
Energy: 1.6086584327050881
Energy: 1.544627499462216
Energy: 1.5360792239930319
Energy: 1.6485435368049022
Energy: 1.536079223991971
Energy: 1.5236316700702137
Energy: 1.5359677104191025
Energy: 1.524763051511219
Energy: 1.5359677104180416
Energy: 1.8665095781779482
Energy: 1.8199546940984315
Energy: 1.5576386181985404
Energy: 1.8199546941016145
Energy: 1.550271769234972
Energy: 1.5357336606377352
Energy: 1.5307851951850104
Energy: 1.5357336606387963
Energy: 1.6905531513248453
Energy: 1.5353915502913138
Energy: 1.524550640145368
Energy: 1.5353915502902529
Energy: 1.739562020884413
Energy: 1.5315460192366799
Energy: 1.5257147329838225
Energy: 1.5315460192356185
Energy: 1.663914067346926
Energy: 1.5321755352043014
Energy: 1.5263356713887961
Energy: 1.5321755352053625
Energy: 1.6826762050037947
Energy: 1.5520303499440877
Energy: 1.544084714764364
Energy: 1.5520303499440877
Energy: 1.6829421900859514
Energy: 1.5496330320092486
Energy: 1.5427419776648588
Energy: 1.5496330320092486
Energy: 1.6962832869841533
Energy: 1.546282973335391
Energy: 1.5439555499916555
Energy: 1.546282973335391
Energy: 1.54134095820045
Energy: 1.5282615259792163
Energy: 1.5454042537910684
Energy: 1.5282615259781551
Energy: 1.6135789294081073
Energy: 1.6549805271862426
Energy: 1.559511459631616
Energy: 1.6549805271862426
Energy: 1.5250881211003744
Energy: 1.5236597500443618
Energy: 1.5463802299515033
Energy: 1.5236597500443618
Energy: 1.5313811296445992
Energy: 1.5474976208693987
Energy: 1.6660443088532928
Energy: 1.5474976208693987

minimum gb energy = 1.5229669511355863 eV
minimum distance =  2.20066283722258 Angstroms
sigma value = 89


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

Energy: 2.453792896994096
Energy: 1.765361966811537
Energy: 2.358733210842318
Energy: 1.4917151982347254
Energy: 1.4747167027319492
Energy: 1.4878081571790316
Energy: 1.4762243539242332
Energy: 1.4878081571784634
Energy: 1.4744557189265444
Energy: 1.486644969499538
Energy: 1.6202583623166824
Energy: 1.486644969499538
Energy: 1.4704095471825431
Energy: 1.4877863138037515
Energy: 1.6212422746127888
Energy: 1.4877863138040037
Energy: 1.4733985422518197
Energy: 1.5094721003056257
Energy: 1.5878115257827001
Energy: 1.50947210030591
Energy: 1.5414237550365648
Energy: 1.490083950038577
Energy: 1.546369165256129
Energy: 1.490083950039145
Energy: 1.54327938121785
Energy: 1.4886979687216952
Energy: 1.544391477400102
Energy: 1.4886979687216952
Energy: 1.5923006505169879
Energy: 1.4909025517340027
Energy: 1.543768104364402
Energy: 1.4909025517340027
Energy: 1.5884650412837003
Energy: 1.487129974451158
Energy: 1.4696197652041263
Energy: 1.487129974451158
Energy: 1.5889448385670144
Energy: 1.4862436427252756
Energy: 1.4744273820352414
Energy: 1.4862436427252756
Energy: 1.5884697174113755
Energy: 1.4727006096279727
Energy: 1.475889188847952
Energy: 1.4727006096274047
Energy: 1.4754262805877143
Energy: 1.4864026171307427
Energy: 1.5783822273699342
Energy: 1.4864026171304903
Energy: 1.4736788453655265
Energy: 1.4875927674836296
Energy: 1.5783736108035697
Energy: 1.4875927674894658
Energy: 1.474309562545065
Energy: 1.5760808121585266
Energy: 1.475836981713929
Energy: 1.5760808121588108
Energy: 1.4479003068412746
Energy: 1.4871887953989422
Energy: 1.4741932395887394
Energy: 1.487188795399794

minimum gb energy = 1.4479003068412746 eV
minimum distance =  2.2029038889928 Angstroms
sigma value = 13


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

Energy: 1.6967023176794933
Energy: 1.7174954452245403
Energy: 2.2324580978827564
Energy: 1.4543183096111232
Energy: 1.4266271063137719
Energy: 1.4428544035076487
Energy: 1.4275215062032796
Energy: 1.4428544035088124
Energy: 1.425860442552466
Energy: 1.4402018177097642
Energy: 1.664987274230841
Energy: 1.4402018177086007
Energy: 1.4237051419480204
Energy: 1.4393727268138505
Energy: 1.6628374775333108
Energy: 1.439372726812687
Energy: 1.428181922603406
Energy: 1.4419342425448733
Energy: 1.4325876895406136
Energy: 1.4419342425460369
Energy: 1.5647545128627436
Energy: 1.4314647020231537
Energy: 1.4326838053138264
Energy: 1.4314647020231537
Energy: 1.5629082030320667
Energy: 1.4316129947811096
Energy: 1.4309004345560152
Energy: 1.4316129947811096
Energy: 1.4860593133485276
Energy: 1.4631491130410397
Energy: 1.4354156184067368
Energy: 1.4631491130398762
Energy: 1.5618969673292096
Energy: 1.4330409126537682
Energy: 1.4299124536759071
Energy: 1.4330409126537682
Energy: 1.5634800981732102
Energy: 1.4330936022595748
Energy: 1.4290391010264654
Energy: 1.4330936022584113
Energy: 1.5415501937681018
Energy: 1.4333050602976702
Energy: 1.431504596876946
Energy: 1.4333050602988338
Energy: 1.4238893301132396
Energy: 1.4393619881752882
Energy: 1.5584497307145144
Energy: 1.4393619881752882
Energy: 1.4274327000539395
Energy: 1.4393116689960985
Energy: 1.5583697984326743
Energy: 1.439311668997262
Energy: 1.4256175384047816
Energy: 1.454052839303444
Energy: 1.4274069981918063
Energy: 1.4540528393046075
Energy: 1.555488888332938
Energy: 1.4395551577125385
Energy: 1.4275915927422735
Energy: 1.4395551577125385
Energy: 1.5555816295514684
Energy: 1.4391985678994879
Energy: 1.425767288349439
Energy: 1.4391985679006514
Energy: 1.4255173161583667
Energy: 1.4493409073120949
Energy: 1.4265353021417748
Energy: 1.4493409073132584
Energy: 1.4320819120267991
Energy: 1.4468701476453365
Energy: 1.6608262999493424
Energy: 1.446870147644173
Energy: 1.4286440446827187
Energy: 1.4401898071311516
Energy: 1.397636664265246
Energy: 1.4401898071311516
Energy: 1.5584517420166102
Energy: 1.4425608806057757
Energy: 1.4260687233515683
Energy: 1.4425608806069392
Energy: 1.698638480029608
Energy: 1.4421139954877182
Energy: 1.4263241336136274
Energy: 1.4421139954865547
Energy: 1.4314963271047814
Energy: 1.4447421802153835
Energy: 1.4283693284213617
Energy: 1.4447421802153835
Energy: 1.4312715613540046
Energy: 1.4324219080995373
Energy: 1.5616043592444206
Energy: 1.4324219080995373
Energy: 1.4320893924952698
Energy: 1.4324581812169421
Energy: 1.456913457279493
Energy: 1.4324581812169421
Energy: 1.4307746776761616
Energy: 1.4299232168073304
Energy: 1.486003595365448
Energy: 1.4299232168073304
Energy: 1.4288305213722443
Energy: 1.435445497596537
Energy: 1.4891489616233813
Energy: 1.4354454975953734
Energy: 1.4293751710088178
Energy: 1.4343609334045158
Energy: 1.5639781967455872
Energy: 1.4343609334033522
Energy: 1.4311932413173432
Energy: 1.4322344889262144
Energy: 1.5617116454437943
Energy: 1.4322344889262144
Energy: 1.4319206273870995
Energy: 1.440969927035386
Energy: 1.425135831987408
Energy: 1.4409699270365495
Energy: 1.559934286636207
Energy: 1.4400974911987643
Energy: 1.4308014445917523
Energy: 1.4400974911998752
Energy: 1.558443854218389
Energy: 1.4486454967175766
Energy: 1.4254124143352978
Energy: 1.448645496716413
Energy: 1.4320578253488674
Energy: 1.439000649441858
Energy: 1.5560404844353426
Energy: 1.439000649441858
Energy: 1.428192590242163
Energy: 1.4397871376225002
Energy: 1.5556067121194854
Energy: 1.4397871376213367
Energy: 1.42639194163175
Energy: 1.442396969319607
Energy: 1.425969079962149
Energy: 1.4423969693184433
Energy: 1.398440932561388
Energy: 1.4396338531507624
Energy: 1.4280371636339801
Energy: 1.439633853149599

minimum gb energy = 1.397636664265246 eV
minimum distance =  2.21679986544405 Angstroms
sigma value = 37


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

Energy: 1.7136011856265507
Energy: 1.6157100406646596
Energy: 1.577510768044487
Energy: 1.395982291333848
Energy: 1.368994640732203
Energy: 1.3670931129330008
Energy: 1.3707200546311704
Energy: 1.367093112937619
Energy: 1.3689831570461943
Energy: 1.3807927365911397
Energy: 1.6570528164718916
Energy: 1.3807927365917538
Energy: 1.3659770396643258
Energy: 1.3775532400165638
Energy: 1.657314896353028
Energy: 1.3775532400163588
Energy: 1.3684676238001765
Energy: 1.4025700734610267
Energy: 1.351773966324147
Energy: 1.402570073460822
Energy: 1.562328265741532
Energy: 1.3539427000057929
Energy: 1.3513920979654774
Energy: 1.3539427000057929
Energy: 1.4574371424433807
Energy: 1.3534136885914445
Energy: 1.3498326610907232
Energy: 1.3534136885914445
Energy: 1.4527528410678021
Energy: 1.4188656978233127
Energy: 1.3508526373487957
Energy: 1.4188656978233127
Energy: 1.4092837095580295
Energy: 1.3508037881160653
Energy: 1.4101091806442896
Energy: 1.3508037881158832
Energy: 1.4098621868857764
Energy: 1.3509862789795755
Energy: 1.4089820294149744
Energy: 1.350986278979371
Energy: 1.4132791084734577
Energy: 1.3921270472839005
Energy: 1.4533631756316086
Energy: 1.3921270472841054
Energy: 1.350440678495746
Energy: 1.3535324926017815
Energy: 1.5625943744048976
Energy: 1.3535324926017815
Energy: 1.350926575017421
Energy: 1.3536407452781933
Energy: 1.5624309720417542
Energy: 1.3536407452781933
Energy: 1.3513458320509188
Energy: 1.467447515705049
Energy: 1.3681108095991659
Energy: 1.467447515704867
Energy: 1.5553313922967669
Energy: 1.376964534066978
Energy: 1.3670597596277145
Energy: 1.376964534066978
Energy: 1.3504670159108116
Energy: 1.3780239952797964
Energy: 1.3696209490931026
Energy: 1.3780239952796143
Energy: 1.371077580409064
Energy: 1.3543252773176488
Energy: 1.3705721275219704
Energy: 1.354325277316648
Energy: 1.3688696850264277
Energy: 1.3827321186118804
Energy: 1.5287398671618313
Energy: 1.3827321185700685
Energy: 1.3693523172472712
Energy: 1.3806232614763965
Energy: 1.5287009919589147
Energy: 1.3806232614766012
Energy: 1.3702642224478512
Energy: 1.3760567798029713
Energy: 1.3694640063307084
Energy: 1.3760567798027667

minimum gb energy = 1.3498326610907232 eV
minimum distance =  2.21811335772809 Angstroms
sigma value = 25


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

Energy: 1.6869576706990714
Energy: 1.4537684683160879
Energy: 1.4045544269456833
Energy: 1.2863309506167522
Energy: 1.2624756648021385
Energy: 1.2393727961403362
Energy: 1.262292115036794
Energy: 1.2393727961403362
Energy: 1.2617373971118047
Energy: 1.2690117745532736
Energy: 1.2596870635918815
Energy: 1.2690117745532736
Energy: 1.2604205535282027
Energy: 1.2660240544783368
Energy: 1.454103009492333
Energy: 1.2660240544798995
Energy: 1.2377098294172308
Energy: 1.2426743963543538
Energy: 1.2382034716813175
Energy: 1.2426743963527906
Energy: 1.4556725799728807
Energy: 1.236554641044419
Energy: 1.2374638260186832
Energy: 1.236554641044419
Energy: 1.455802017227273
Energy: 1.2363466831211853
Energy: 1.2392561001527593
Energy: 1.2363466831211853
Energy: 1.256325523429603
Energy: 1.357837482580162
Energy: 1.2376515628421745
Energy: 1.357837482580162
Energy: 1.2564922698305114
Energy: 1.2207911177325552
Energy: 1.4005667015291006
Energy: 1.2207911177325552
Energy: 1.2563267955165742
Energy: 1.219857928024536
Energy: 1.4005793544294312
Energy: 1.219857928024536
Energy: 1.3362070004349373
Energy: 1.334334146197026
Energy: 1.3506630676125368
Energy: 1.334334146197026
Energy: 1.308715564800422
Energy: 1.2115523438086118
Energy: 1.310121673368095
Energy: 1.2115523438086118
Energy: 1.3081632686670068
Energy: 1.213619393912113
Energy: 1.309134228236815
Energy: 1.213619393912113
Energy: 1.3416547642112597
Energy: 1.2575035091951365
Energy: 1.255986471812941
Energy: 1.2575035091951365
Energy: 1.4006643811392017
Energy: 1.2202679060869686
Energy: 1.2561778564786226
Energy: 1.2202679060869686
Energy: 1.401005798176603
Energy: 1.2199028641209646
Energy: 1.2557800352477904
Energy: 1.2199028641194014
Energy: 1.2373065408802655
Energy: 1.2383644791594803
Energy: 1.2561833582163469
Energy: 1.2383644791594803
Energy: 1.2379790575672438
Energy: 1.236174108570109
Energy: 1.3983585008446267
Energy: 1.2361741085716724
Energy: 1.2373697555050096
Energy: 1.2372179762981208
Energy: 1.3755925327439764
Energy: 1.2372179762981208
Energy: 1.239219062474422
Energy: 1.238741990102228
Energy: 1.2608044756391423
Energy: 1.238741990102228
Energy: 1.389418648579887
Energy: 1.267923352515211
Energy: 1.2623591413911714
Energy: 1.2679233525167741
Energy: 1.2387172136721143
Energy: 1.272460519750867
Energy: 1.2614011671998493
Energy: 1.272460519750867
Energy: 1.2628979829323015
Energy: 1.2455346027929883
Energy: 1.235495138493524
Energy: 1.2455346027929883
Energy: 1.2623158491758126
Energy: 1.266933924274665
Energy: 1.53981313685597
Energy: 1.266933924274665
Energy: 1.2614475345753817
Energy: 1.2509806955801057
Energy: 1.2615328952039104
Energy: 1.2509806955801057
Energy: 1.2564250383559692
Energy: 1.266793431030248
Energy: 1.2612757305252722
Energy: 1.266793431030248

minimum gb energy = 1.2115523438086118 eV
minimum distance =  2.24204244857382 Angstroms
sigma value = 41


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

Energy: 1.635790291107428
Energy: 1.325780310553761
Energy: 1.5721024400895967
Energy: 1.189007685405677
Energy: 1.1678427152556732
Energy: 1.1447510058863546
Energy: 1.1681775269243573
Energy: 1.1447510058876362
Energy: 1.1677982354583185
Energy: 1.1728323215105707
Energy: 1.142319253389264
Energy: 1.1728323215080074
Energy: 1.1677115293708253
Energy: 1.169998153718496
Energy: 1.142325411318429
Energy: 1.169998153718496
Energy: 1.145237321656131
Energy: 1.1582865103041837
Energy: 1.144882691335321
Energy: 1.1582865103041837
Energy: 1.1486482234975992
Energy: 1.1425994837275428
Energy: 1.1453224177370538
Energy: 1.1425994837275428
Energy: 1.1452563807983454
Energy: 1.1419672605189009
Energy: 1.1447061819968072
Energy: 1.1419672605189009
Energy: 1.1527832969435488
Energy: 1.152762046024375
Energy: 1.1443484690352175
Energy: 1.152762046024375
Energy: 1.154308284027419
Energy: 1.1220719650859243
Energy: 1.32941508676624
Energy: 1.1220719650859243
Energy: 1.1520734564405044
Energy: 1.122295661760928
Energy: 1.3295440871576905
Energy: 1.122295661760928
Energy: 1.1520970340596748
Energy: 1.207905237820404
Energy: 1.179580717872969
Energy: 1.207905237820404
Energy: 1.2928704003809741
Energy: 1.1063905688683648
Energy: 1.1792831297950235
Energy: 1.1063905688670834
Energy: 1.293868031972405
Energy: 1.1047768406013672
Energy: 1.180232953338573
Energy: 1.1047768406000857
Energy: 1.2508725942789418
Energy: 1.1687429698102036
Energy: 1.2297497682359322
Energy: 1.1687429698102036
Energy: 1.22637689421963
Energy: 1.0993326918191728
Energy: 1.2257510313294857
Energy: 1.0993326918204545
Energy: 1.2265048179448261
Energy: 1.1013080209799753
Energy: 1.226262390246775
Energy: 1.101308020981257
Energy: 1.1828816705811276
Energy: 1.105574242479848
Energy: 1.2570408920643457
Energy: 1.105574242479848
Energy: 1.1796490243900175
Energy: 1.105423071123885
Energy: 1.2929967692596311
Energy: 1.105423071123885
Energy: 1.1795329257121303
Energy: 1.1050331227470427
Energy: 1.2929669105278923
Energy: 1.1050331227457613
Energy: 1.1809802718670275
Energy: 1.1225006621601668
Energy: 1.1548945821541199
Energy: 1.1225006621601668
Energy: 1.2568403844614577
Energy: 1.1227322127284038
Energy: 1.1520586990759636
Energy: 1.1227322127271224
Energy: 1.2554407087423693
Energy: 1.1231201871763838
Energy: 1.1521726776352768
Energy: 1.1231201871751022
Energy: 1.1478629306016706
Energy: 1.1426205731759722
Energy: 1.1537384705941252
Energy: 1.1426205731746906
Energy: 1.146103700422563
Energy: 1.1419587660292443
Energy: 1.2544165868939923
Energy: 1.1419587660292443
Energy: 1.144413420608108
Energy: 1.1439962071482492
Energy: 1.1455823904901041
Energy: 1.1439962071482492
Energy: 1.1642022565603651
Energy: 1.1495998277600743
Energy: 1.1705527287886657
Energy: 1.1495998277587927
Energy: 1.1642071557302436
Energy: 1.1700838796468664
Energy: 1.1677592580488525
Energy: 1.1700838796455848
Energy: 1.1447495108833625
Energy: 1.2634418881800153
Energy: 1.1674873878486003
Energy: 1.2634418881800153
Energy: 1.1727388456963415
Energy: 1.1704607418645494
Energy: 1.16273791886353
Energy: 1.170460741865831
Energy: 1.1678856782394955
Energy: 1.1707584732640421
Energy: 1.1628654723767553
Energy: 1.1707584732640421
Energy: 1.1673480379210701
Energy: 1.146516075696109
Energy: 1.1674584038734417
Energy: 1.146516075696109
Energy: 1.183587540473659
Energy: 1.1702277945618598
Energy: 1.1733341320994775
Energy: 1.1702277945618598

minimum gb energy = 1.0993326918191728 eV
minimum distance =  2.25243010020582 Angstroms
sigma value = 15


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

Energy: 1.244431638733898
Energy: 1.22097160685613
Energy: 1.4254275729980717
Energy: 1.1063347766668772
Energy: 1.0876410651361592
Energy: 1.0656657983159454
Energy: 1.0668771619038582
Energy: 1.0656657983148596
Energy: 1.088068991540642
Energy: 1.092027647730042
Energy: 1.0646919632392895
Energy: 1.092027647732213
Energy: 1.0890486051732369
Energy: 1.089764432983538
Energy: 1.0675237630102978
Energy: 1.089764432983538
Energy: 1.0676211249117677
Energy: 1.0731602603019146
Energy: 1.0672289322419939
Energy: 1.0731602603019146
Energy: 1.0688415526664337
Energy: 1.06441471221934
Energy: 1.0675568178147472
Energy: 1.06441471221934
Energy: 1.063430840056033
Energy: 1.0642812365192893
Energy: 1.0679952015492153
Energy: 1.0642812365192893
Energy: 1.0703850218937634
Energy: 1.0879403326519188
Energy: 1.0667678050700649
Energy: 1.0879403326530044
Energy: 1.0732951758433569
Energy: 1.0448267702730747
Energy: 1.0656502697294605
Energy: 1.0448267702730747
Energy: 1.0706108954616764
Energy: 1.0451060593847112
Energy: 1.0733267822855515
Energy: 1.0451060593847112
Energy: 1.0698849962688746
Energy: 1.1686308732819581
Energy: 1.0866959133660967
Energy: 1.168630872426842
Energy: 1.2379367834075403
Energy: 1.024650258763087
Energy: 1.0865959607897935
Energy: 1.024650258763087
Energy: 1.18491126464993
Energy: 1.0247108428962795
Energy: 1.0868605453796103
Energy: 1.0247108428973652
Energy: 1.1395534866058474
Energy: 1.0125929989009474
Energy: 1.198193042712609
Energy: 1.0125929989009474
Energy: 1.1191761310612098
Energy: 1.0142637913711483
Energy: 1.2096152973039576
Energy: 1.0142637913722339
Energy: 1.1156282245253413
Energy: 1.012409692514089
Energy: 1.19546291339261
Energy: 1.0124096925130033
Energy: 1.1580318246043653
Energy: 1.0125980396904735
Energy: 1.1864464225065956
Energy: 1.0125980396904735
Energy: 1.1562247727170167
Energy: 1.0086795233506993
Energy: 1.15642339562847
Energy: 1.008679523349614
Energy: 1.1714332604156479
Energy: 1.011218440072008
Energy: 1.1570809552626466
Energy: 1.0112184400730935
Energy: 1.1858482426757804
Energy: 1.0138739970852801
Energy: 1.1163321145824132
Energy: 1.0138739970852801
Energy: 1.2098667259919098
Energy: 1.0144894802144426
Energy: 1.1186342201823063
Energy: 1.014489480213357
Energy: 1.2106362374664537
Energy: 1.011995572210774
Energy: 1.1152865075045844
Energy: 1.011995572210774
Energy: 1.087239160966064
Energy: 1.02488474772562
Energy: 1.1844706476261524
Energy: 1.02488474772562
Energy: 1.08676352632037
Energy: 1.0242689055693452
Energy: 1.0728642696134225
Energy: 1.024268905570431
Energy: 1.0871215644430845
Energy: 1.0262601169976184
Energy: 1.0701102400901021
Energy: 1.026260116998704
Energy: 1.0709588583819956
Energy: 1.0444975004315722
Energy: 1.0709316718809734
Energy: 1.0444975004315722
Energy: 1.1654082632857956
Energy: 1.0448004909252242
Energy: 1.0739339746197927
Energy: 1.0448004909252242
Energy: 1.0664593023034896
Energy: 1.0717481527383743
Energy: 1.0701827423931856
Energy: 1.071748152736203
Energy: 1.0682418587109315
Energy: 1.064295390872699
Energy: 1.0671066055890834
Energy: 1.0642953908716135
Energy: 1.0673513169727389
Energy: 1.0651214479058944
Energy: 1.0673393165415754
Energy: 1.0651214479048088
Energy: 1.0671670208527912
Energy: 1.0742402138353762
Energy: 1.067504201920805
Energy: 1.0742402138342906
Energy: 1.0654298335325871
Energy: 1.0897021211693878
Energy: 1.0888575173835802
Energy: 1.089702121168302
Energy: 1.0673993457086661
Energy: 1.0912673272814324
Energy: 1.0883165998047484
Energy: 1.0912673272803466
Energy: 1.0672870638206386
Energy: 1.0661723108485266
Energy: 1.0877303864717636
Energy: 1.0661723108485266
Energy: 1.0898719318362964
Energy: 1.0903234364382748
Energy: 1.0867447660324603
Energy: 1.0903234364393606
Energy: 1.087746521762836
Energy: 1.093372245357681
Energy: 1.0668795916677396
Energy: 1.093372245357681
Energy: 1.065098880456535
Energy: 1.0921648687119732
Energy: 1.088023895894812
Energy: 1.0921648687119732

minimum gb energy = 1.008679523349614 eV
minimum distance =  2.25818900972603 Angstroms
sigma value = 85


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

Energy: 1.1500325938216054
Energy: 1.0828170221979898
Energy: 1.255774775590161
Energy: 0.973729912457035
Energy: 0.974331730992866
Energy: 0.9532915677315704
Energy: 0.9596210842904153
Energy: 0.9532915677315704
Energy: 0.9729500584226669
Energy: 0.9746925220797678
Energy: 0.9528340762811108
Energy: 0.9746925220807096
Energy: 0.9729376531033433
Energy: 0.9516896269903187
Energy: 0.9412588344057761
Energy: 0.9516896269903187
Energy: 0.9609302585956212
Energy: 0.9732692873329721
Energy: 0.9609537727182742
Energy: 0.9732692873339137
Energy: 0.9433985210921825
Energy: 0.9517925752516126
Energy: 0.9596454374303184
Energy: 0.9517925752525542
Energy: 0.9429917981923776
Energy: 0.9511236419633333
Energy: 0.9600119225842523
Energy: 0.9511236419633333
Energy: 0.970730014900675
Energy: 0.99083501756796
Energy: 0.9712782340337023
Energy: 0.99083501756796
Energy: 0.9704578302284
Energy: 0.9417398201004731
Energy: 0.9537924902088869
Energy: 0.9417398201014148
Energy: 0.970778433561615
Energy: 0.9419464426232674
Energy: 0.9536553789176003
Energy: 0.9419464426242089
Energy: 0.9705707191956392
Energy: 0.9426876112676453
Energy: 0.9910361399462934
Energy: 0.9426876112657622
Energy: 0.97248393883565
Energy: 0.930404686679522
Energy: 0.9908342274878449
Energy: 0.930404686679522
Energy: 0.9934258529400771
Energy: 0.9307022074600313
Energy: 0.9920201142756594
Energy: 0.9307022074600313
Energy: 1.0368542504616018
Energy: 0.9243133582950389
Energy: 0.9911111787334477
Energy: 0.9243133582950389
Energy: 1.0204040298166215
Energy: 0.922681681422005
Energy: 1.1521130124800973
Energy: 0.922681681422005
Energy: 1.0206934288047098
Energy: 0.9231335974820907
Energy: 1.0849563517545173
Energy: 0.9231335974820907
Energy: 1.1329557189423891
Energy: 0.9209879487387179
Energy: 1.0526584006504813
Energy: 0.9209879487387179
Energy: 1.1324628055517791
Energy: 0.9196966951332897
Energy: 1.0518371504753692
Energy: 0.9196966951332897
Energy: 1.1013208947305504
Energy: 0.9209193010104368
Energy: 1.0549553049706106
Energy: 0.9209193010104368
Energy: 1.0910966652281693
Energy: 0.9185304656574669
Energy: 1.0899256602226457
Energy: 0.9185304656574669
Energy: 1.0899344682340462
Energy: 0.9191386973868265
Energy: 1.0899829564262644
Energy: 0.9191386973868265
Energy: 1.0905122193286045
Energy: 0.9186172509956981
Energy: 1.1015579406243377
Energy: 0.9186172509956981
Energy: 1.051762209981286
Energy: 0.9204013045238767
Energy: 1.1329842839941613
Energy: 0.9204013045238767
Energy: 1.0536746184258157
Energy: 0.9193907204411245
Energy: 1.1327957215612312
Energy: 0.9193907204411245
Energy: 1.0666034309895132
Energy: 1.1336719758474336
Energy: 1.0182240130108564
Energy: 1.1336719758474336
Energy: 1.044653292357623
Energy: 0.9228569877478459
Energy: 1.0187538093433217
Energy: 0.9228569877478459
Energy: 1.044944588688529
Energy: 0.9229719731880529
Energy: 1.018603142996022
Energy: 0.9229719731871112
Energy: 0.990603867772125
Energy: 0.990728850872468
Energy: 1.0182942832397113
Energy: 0.9907288508715263
Energy: 0.9916743554003643
Energy: 0.929896488639145
Energy: 0.9703172111277593
Energy: 0.929896488639145
Energy: 0.9907355937468332
Energy: 0.930756533939555
Energy: 0.9702801821453972
Energy: 0.930756533939555
Energy: 0.9906931999337941
Energy: 0.9703788002767904
Energy: 0.9704105924235764
Energy: 0.9703788002767904
Energy: 0.9588645956843169
Energy: 0.941555577196832
Energy: 0.972307071652629
Energy: 0.941555577196832
Energy: 0.9604637672834102
Energy: 0.9425896217591645
Energy: 0.9701735431923274
Energy: 0.9425896217591645
Energy: 0.9594015157945271
Energy: 0.9712355574366706
Energy: 0.9714608473656008
Energy: 0.9712355574376124
Energy: 0.9600894420885544
Energy: 0.9509154963681008
Energy: 0.9533576692209803
Energy: 0.9509154963681008
Energy: 0.9597200763646585
Energy: 0.95303746683982
Energy: 0.9710758312365104
Energy: 0.9530374668388786
Energy: 0.9600409313591224
Energy: 0.9523476798764066
Energy: 0.9606068752923451
Energy: 0.9523476798764066
Energy: 0.9344094045794035
Energy: 0.9719492713526937
Energy: 0.9762927106321428
Energy: 0.9719492713526937
Energy: 0.9601502514258233
Energy: 0.9528544353545901
Energy: 0.9726925467224062
Energy: 0.9528544353545901
Energy: 0.9594753688210126
Energy: 0.9520550378504856
Energy: 0.9623944268462816
Energy: 0.9520550378504856
Energy: 0.9727794580463062
Energy: 0.9725026335666219
Energy: 0.9365639324292936
Energy: 0.9725026335666219
Energy: 0.9729646971504676
Energy: 0.9528033455081096
Energy: 0.9738549968568287
Energy: 0.9528033455081096
Energy: 0.9244627105823868
Energy: 0.9733194211517178
Energy: 0.9725757139268578
Energy: 0.9733194211517178

minimum gb energy = 0.9185304656574669 eV
minimum distance =  2.25206836970678 Angstroms
sigma value = 113


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

Energy: 0.0155826584873219
Energy: 0.1041354547503053
Energy: 2.6043085685350236
Energy: 0.015876072932391863
Energy: 0.12591416829273375
Energy: 0.1045308709850889
Energy: 0.1220327210954542
Energy: 0.10453087098368138
Energy: 0.12397837599514734
Energy: 0.10431105217730129
Energy: 0.0164310701129316
Energy: 0.10431105217802514
Energy: 0.12242191863736836
Energy: 0.10484751946721092
Energy: 0.017666915374611826
Energy: 0.10484751946648707
Energy: 0.12245573061201745
Energy: 0.5312571723843341
Energy: 0.12300661204308638
Energy: 0.5312571723843341
Energy: 0.016139694684612592
Energy: 0.10429746380728099
Energy: 0.12200640004571982
Energy: 0.10429746380800485

minimum gb energy = 0.0155826584873219 eV
minimum distance =  2.42417003148898 Angstroms
sigma value = 1