Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.607352703809738
cohesive_energy=3.5352136626369166
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.74121352229852e-19, 2.3905276467597e-19, 2.88250802576208e-19, 3.2824113136084795e-19, 3.6186441020197196e-19, 3.9071160049714195e-19, 4.15752019109928e-19, 4.376746019929499e-19, 4.5694878689997e-19, 4.739382679269059e-19, 4.889298346912439e-19, 5.021349745086719e-19, 5.13744346398636e-19, 5.23924576731072e-19, 5.327750004572879e-19, 5.4040456558839595e-19, 5.469029940159e-19, 5.523503945714999e-19, 5.568140586738239e-19, 5.603564712115979e-19, 5.630401170735479e-19, 5.64909857205426e-19, 5.660025416698139e-19, 5.66359827059196e-19, 5.6597690684367e-19, 5.64738424305588e-19, 5.624857639581839e-19, 5.59036277665182e-19, 5.54173671580992e-19, 5.47636790914272e-19, 5.3909558727841795e-19, 5.28162333928002e-19, 5.14367593109262e-19, 4.9711535511434995e-19, 4.75697457871038e-19, 4.49207069404482e-19, 4.16492224714836e-19, 3.76109362654866e-19, 3.262031626824e-19, 2.64354338080098e-19, 1.87392181289274e-19, 9.107605119505679e-20, -3.03376952177802e-20, -1.84767815962782e-19, -3.8336081410035e-19, -6.422132776192919e-19, -9.852024448961099e-19, -1.4490502043820839e-18, -2.09213827044354e-18, -3.0122202460507194e-18, -4.38304257410112e-18, -6.5381784297935404e-18]
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: 0.0136916603742719
Energy: 0.01381705736344336
Energy: 0.013962277148321878
Energy: 0.01406395282092767
Energy: 0.7831325834933099
Energy: 0.014005633098561558
Energy: 0.01381705736344336
Energy: 0.14911098825457583
Energy: 0.14897682575832094
Energy: 0.14902347215642697
Energy: 0.14905140848348297
Energy: 0.14941085170545673
Energy: 0.0139622771508064
Energy: 0.14897682575863588
Energy: 0.14936091047112077
Energy: 0.013858652585900298
Energy: 0.14978622317873694
Energy: 0.14890131315117588
Energy: 0.01406395282092767
Energy: 0.149023472156147
Energy: 0.013858652586495181
Energy: 0.01406693560774947
Energy: 0.14880132715080777
Energy: 0.014047504355513048
Energy: 0.7831325834939399
Energy: 0.1490514084828531
Energy: 0.14978622318276116
Energy: 0.14880132715049282
Energy: 0.14900163520663703
Energy: 0.1488880072557547
Energy: 0.014005633098561558
Energy: 0.14941085170885104
Energy: 0.14890131315117588
Energy: 0.014047504354918161
Energy: 0.14888800725543977
Energy: 0.013809326084542058

minimum gb energy = 0.0136916603742719 eV
minimum distance =  2.54927530163523 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.1692892362552767
Energy: 1.090492478452727
Energy: 1.0950735846985884
Energy: 1.1976318922319158
Energy: 1.0877419565084914
Energy: 1.103731643496616
Energy: 1.9266814413824858
Energy: 1.1121364971474863
Energy: 1.1125222616292825
Energy: 1.1061619918747945
Energy: 1.1129358406142424
Energy: 1.1111031777107772
Energy: 1.743806942325764
Energy: 1.1172343293208942
Energy: 1.112449491078942
Energy: 1.1579189595013175
Energy: 1.0947869232562804
Energy: 1.1123367587168078
Energy: 2.051317892236689
Energy: 1.1226232855430862
Energy: 1.1617760151488172
Energy: 1.1242807016757201
Energy: 1.0942529384127446
Energy: 1.1318235777080394
Energy: 1.8680447654179229
Energy: 1.115472401923138
Energy: 1.1135503398695379
Energy: 1.110831180143744
Energy: 1.118827034086833
Energy: 1.1123755803183237
Energy: 1.842884324357917
Energy: 1.1137074606962791
Energy: 1.1577904116915767
Energy: 1.1569603110637001
Energy: 1.1144946976530683
Energy: 1.1580106296611599
Energy: 1.8358626801763043
Energy: 1.1541226019425148
Energy: 1.154557886084307
Energy: 1.1578691343286347
Energy: 1.1612093762997142
Energy: 1.1574398070845842
Energy: 1.7106796675950962
Energy: 1.1550681497049673
Energy: 1.1564792051274368
Energy: 1.113582648201073
Energy: 1.1552358601985986
Energy: 1.1555310921045052
Energy: 1.4967818426382518
Energy: 1.1577469184750726
Energy: 1.1593648322837566
Energy: 1.1151818284216835
Energy: 1.156339490631578
Energy: 1.1596107281802364
Energy: 1.4946657593451738
Energy: 1.1111211994098633
Energy: 1.113775456647447
Energy: 1.1200277258323508
Energy: 1.1110290968571623
Energy: 1.1142156998827424
Energy: 1.3821272870546328
Energy: 1.156234845325124
Energy: 1.1563168013335592
Energy: 1.093475064263417
Energy: 1.1601538046035342
Energy: 1.1319694272480074
Energy: 1.254084568684779
Energy: 1.1111946727787978
Energy: 1.111324758594248
Energy: 1.1184305317353498
Energy: 1.1554345340802308
Energy: 1.1118658203370635
Energy: 1.2536823142825255
Energy: 1.1095338497757965
Energy: 1.1109212030840965
Energy: 1.113626922437085
Energy: 1.109724839663096
Energy: 1.1110230765052589
Energy: 1.3473737386225983
Energy: 1.1217780131654231
Energy: 1.12110562581352
Energy: 1.1189843786796227
Energy: 1.1202037412466808
Energy: 1.1217138615823712
Energy: 1.3247618523372147
Energy: 1.1136358170514011
Energy: 1.1127438648515395
Energy: 1.116793543765314
Energy: 1.1088705491078625
Energy: 1.1135483257633143
Energy: 1.3254104911295272
Energy: 1.159081095422126
Energy: 1.1593360114378701
Energy: 1.115649866271975
Energy: 1.158801060932012
Energy: 1.1605375933583026
Energy: 1.7135129654156642
Energy: 1.1520543802577652
Energy: 1.1516061639005533
Energy: 1.1197003508506926
Energy: 1.1545113227577242
Energy: 1.1577119062484147
Energy: 1.6781232375874746
Energy: 1.1605399761075648
Energy: 1.1611058512267765
Energy: 1.1602998201974941
Energy: 1.1604835859016682
Energy: 1.1606491252401436
Energy: 1.6768058084208406
Energy: 1.1595620886730393
Energy: 1.1603303155242244
Energy: 1.1604090055003113
Energy: 1.1604223230961812
Energy: 1.1598035985061008
Energy: 1.7435453049512024
Energy: 1.1603113692418032
Energy: 1.160779790503904
Energy: 1.161077901574701
Energy: 1.1599867594649105
Energy: 1.1598899021231206
Energy: 1.9165120768319037
Energy: 1.1626195845524436
Energy: 1.1575199703519845
Energy: 1.1547562608463904
Energy: 1.1340710399382194
Energy: 1.1572852938056477
Energy: 1.8547495868107913
Energy: 1.164326082500909
Energy: 1.1604145828887222
Energy: 1.155732835758139
Energy: 1.1161112625944785
Energy: 1.1597405694594582
Energy: 1.9266648860816442
Energy: 1.1125682590095451
Energy: 1.11160478056845
Energy: 1.063729429047898
Energy: 1.1153814163894138
Energy: 1.1108665373546347

minimum gb energy = 1.063729429047898 eV
minimum distance =  2.36851303372315 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.6848153346680417
Energy: 1.321785637461871
Energy: 1.2467518900660386
Energy: 1.2752407382938222
Energy: 1.2055205195328476
Energy: 1.343257291259137
Energy: 1.8603502203882019
Energy: 1.2036939515105722
Energy: 1.2098040181969694
Energy: 1.216483621878534
Energy: 1.2350568117197576
Energy: 1.2169922208517814
Energy: 1.2735989447717686
Energy: 1.208018998914581
Energy: 1.2051691546867267
Energy: 1.2955679075743258
Energy: 1.1869578597330745
Energy: 1.2177317245057284
Energy: 2.0427838850964495
Energy: 1.3852009216617651
Energy: 1.151116992159075
Energy: 1.29456904722903
Energy: 1.2087191037953662
Energy: 1.2948762324483118
Energy: 1.8511094487208788
Energy: 1.2069219217468332
Energy: 1.2066927823381517
Energy: 1.2138669697899953
Energy: 1.1994730986274997
Energy: 1.2140115425368807
Energy: 2.0118252181038
Energy: 1.2103908903188123
Energy: 1.2216988272987486
Energy: 1.229838707428961
Energy: 1.1971246127322808
Energy: 1.223504971261829
Energy: 2.0128706213166923
Energy: 1.2006566288881557
Energy: 1.1992331077858231
Energy: 1.1999157511975036
Energy: 1.1928970102506493
Energy: 1.199601712635177
Energy: 1.8283603608340775
Energy: 1.289729014284709
Energy: 1.2899796749844996
Energy: 1.2245895733002616
Energy: 1.2901113774911026
Energy: 1.2903694914668462
Energy: 1.6592276728721171
Energy: 1.2908450906741267
Energy: 1.1997185522798413
Energy: 1.3532758888927874
Energy: 1.2917344391435615
Energy: 1.1981347888114071
Energy: 1.6740997248112064
Energy: 1.345135491336499
Energy: 1.174783566734448
Energy: 1.210723209188774
Energy: 1.17560569490517
Energy: 1.3416873128237297
Energy: 1.5678686303286242
Energy: 1.2876047631753293
Energy: 1.2806336018842475
Energy: 1.368262262176757
Energy: 1.2764817176270358
Energy: 1.2816728187101545
Energy: 1.4196704546710133
Energy: 1.2810081954245893
Energy: 1.1743314147701323
Energy: 1.378681089928498
Energy: 1.2870421269595067
Energy: 1.1736695663686572
Energy: 1.419496680155762
Energy: 1.3477244668888233
Energy: 1.346310927822431
Energy: 1.3593015165446851
Energy: 1.3496578369520522
Energy: 1.3484330941832998
Energy: 1.5420901553710147
Energy: 1.2880139110225859
Energy: 1.2806674250108896
Energy: 1.4051587399075196
Energy: 1.2906661870807477
Energy: 1.3169590802985762
Energy: 1.5773573006693797
Energy: 1.349749687125495
Energy: 1.3497846103624105
Energy: 1.341872980364225
Energy: 1.3514880916303498
Energy: 1.3466917202378699
Energy: 1.577865551684738
Energy: 1.3567336060835682
Energy: 1.3471073628074928
Energy: 1.388543683235624
Energy: 1.3574168171638947
Energy: 1.351901084485988
Energy: 1.8645824495180698
Energy: 1.3570519844371727
Energy: 1.356062260528626
Energy: 1.3615808271361642
Energy: 1.3568839736170528
Energy: 1.353970985581116
Energy: 1.8145583190068946
Energy: 1.3444758353499306
Energy: 1.3524576788851894
Energy: 1.2911041944121346
Energy: 1.343916073099105
Energy: 1.2902559875605757
Energy: 1.8138420201959142
Energy: 1.333852955811179
Energy: 1.3511044762907187
Energy: 1.2916448335602866
Energy: 1.3501717415705505
Energy: 1.3450614392178122
Energy: 1.8214632573346299
Energy: 1.33661876516026
Energy: 1.3356419318124804
Energy: 1.3197729837110845
Energy: 1.3330449681074155
Energy: 1.3233139490455315
Energy: 2.1309635743233257
Energy: 1.35206833071814
Energy: 1.2186154272546121
Energy: 1.22060450676587
Energy: 1.360689813946726
Energy: 1.21416276738605
Energy: 1.6712966727570164
Energy: 1.3341046033970696
Energy: 1.3387130939804985
Energy: 1.2199033933902215
Energy: 1.368073572885106
Energy: 1.336887045360464
Energy: 1.8228262444040102
Energy: 1.335275490980409
Energy: 1.350896538008649
Energy: 1.344572840983918
Energy: 1.3553444386556215
Energy: 1.3459126794211835
Energy: 2.04206604701307
Energy: 1.4135470489380921
Energy: 1.3448688514955573
Energy: 1.2914978496042397
Energy: 1.3750179995254048
Energy: 1.2675224359562525
Energy: 1.8263090574698457
Energy: 1.3527239435309457
Energy: 1.3504852916544838
Energy: 1.3461812553160892
Energy: 1.3611548097634978
Energy: 1.346896545059843
Energy: 1.3511040291488656
Energy: 1.3620690199182535
Energy: 1.3595828417272475
Energy: 1.3419118223181248
Energy: 1.3903700609929825
Energy: 1.3621273069599025
Energy: 2.010967292960539
Energy: 1.3554361154856154
Energy: 1.3562321310877195
Energy: 1.353509930563788
Energy: 1.3717781675980565
Energy: 1.3536542493827743
Energy: 1.7804298570723314
Energy: 1.2909359186185347
Energy: 1.290490694920919
Energy: 1.3441304576173005
Energy: 1.2913301155955754
Energy: 1.3367835121825382
Energy: 1.6312716007818227
Energy: 1.2906225092534593
Energy: 1.2903108557040006
Energy: 1.3512211107152063
Energy: 1.2907877357977682
Energy: 1.3574208227064848
Energy: 1.6216573262067038
Energy: 1.1766650674544665
Energy: 1.3444539702804672
Energy: 1.3454197145651439
Energy: 1.3445604564153282
Energy: 1.1752516721826256
Energy: 1.7010356558881063
Energy: 1.280833988835642
Energy: 1.277802283591111
Energy: 1.3953230391539873
Energy: 1.2819807046776677
Energy: 1.2785805804752421
Energy: 1.474002759305519
Energy: 1.281406125848284
Energy: 1.281384502939657
Energy: 1.186446834999521
Energy: 1.2870734164677575
Energy: 1.342171455398781
Energy: 1.4739833451592572
Energy: 1.1846136353159873
Energy: 1.1849969666181002
Energy: 1.3461816147957248
Energy: 1.1852382234375736
Energy: 1.3489282489427628
Energy: 1.4731533537433368
Energy: 1.2945398201624096
Energy: 1.2907101116055217
Energy: 1.3714358955681794
Energy: 1.2904906340958804
Energy: 1.2880816350066573
Energy: 1.581287619933513
Energy: 1.1849302548800065
Energy: 1.184070275578291
Energy: 1.231909086486693
Energy: 1.3406172123349083
Energy: 1.184351960466361
Energy: 1.582150750575224
Energy: 1.2119338901773327
Energy: 1.2110215147879138
Energy: 1.21702387190811
Energy: 1.2120363300114247
Energy: 1.211460697098191
Energy: 1.5819440349477798
Energy: 1.248172919366645
Energy: 1.211195296811822
Energy: 1.2351435828721078
Energy: 1.227965129912971
Energy: 1.2626653364557145
Energy: 1.8144710223047975
Energy: 1.2147398367660045
Energy: 1.2143137886286044
Energy: 1.2916065373817933
Energy: 1.2250053536870984
Energy: 1.2116176584828515
Energy: 1.81509014309526
Energy: 1.191431772350119
Energy: 1.2214652280685074
Energy: 1.2908802091188003
Energy: 1.2345665284695224
Energy: 1.2897577639912339
Energy: 1.8510482036660851
Energy: 1.2087023761874023
Energy: 1.215135766478438
Energy: 1.2155998072656102
Energy: 1.2057921034981676
Energy: 1.2148040553378887
Energy: 2.093310273708086
Energy: 1.2082865442218151
Energy: 1.2053864032774926
Energy: 1.2048392475628529
Energy: 1.2090445995720036
Energy: 1.274007165032171

minimum gb energy = 1.151116992159075 eV
minimum distance =  2.21184157587202 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.2278138381149213
Energy: 1.2725734078104058
Energy: 1.2716645781743054
Energy: 1.1535639147245522
Energy: 1.2653434951270022
Energy: 1.1529399217321286
Energy: 1.9115356897401308
Energy: 1.2414339418903795
Energy: 1.2381439480797183
Energy: 1.1743417527827842
Energy: 1.228826220837214
Energy: 1.173780242842996
Energy: 1.9382655093770156
Energy: 1.2325454861752254
Energy: 1.231306925074665
Energy: 1.1729054813315787
Energy: 1.2318627010710763
Energy: 1.2330799795414742
Energy: 1.9376619049174564
Energy: 1.1830199740328011
Energy: 1.174296268181722
Energy: 1.1724080655499616
Energy: 1.1828720751209605
Energy: 1.1666635516176613
Energy: 1.1763852922385598
Energy: 1.172477321798425
Energy: 1.1722881974649866
Energy: 1.1759939105008088
Energy: 1.1733171384054726
Energy: 1.1726562343551763
Energy: 1.6622701005503153
Energy: 1.1722610328748972
Energy: 1.1724652091607557
Energy: 1.173564168736576
Energy: 1.1729563051635377
Energy: 1.1727754272222204
Energy: 1.6622578234902907
Energy: 1.1742107941153697
Energy: 1.1731918301785231
Energy: 1.1735039112182453
Energy: 1.1757019912220343
Energy: 1.172831487849794
Energy: 1.351811048449453
Energy: 1.2985473360493494
Energy: 1.2186442738887038
Energy: 1.3227928221691518
Energy: 1.2952737085293031
Energy: 1.2947792739015178
Energy: 1.3252593494053502
Energy: 1.2621266324854168
Energy: 1.2621579098352413
Energy: 1.2389885101467406
Energy: 1.2182786331408202
Energy: 1.2317754326065875
Energy: 1.3250885410034134
Energy: 1.1737513766641259
Energy: 1.1723053481953694
Energy: 1.2317722540817795
Energy: 1.1752350805417493
Energy: 1.2371293689152367
Energy: 1.325145446101425
Energy: 1.2034412595004873
Energy: 1.2034502303326313
Energy: 1.169017508595568
Energy: 1.1725001960515262
Energy: 1.1995514551317987
Energy: 1.4233631859047342
Energy: 1.173513271766687
Energy: 1.1735904913917854
Energy: 1.1786769100122636
Energy: 1.1669691948391416
Energy: 1.173030751563996
Energy: 1.4224921349765878
Energy: 1.2989055125583227
Energy: 1.2377726097512012
Energy: 1.2320631409206335
Energy: 1.2996934989821707
Energy: 1.2310530327936888
Energy: 1.4231278795296527
Energy: 1.171074090335159
Energy: 1.1747990059487856
Energy: 1.212623044278114
Energy: 1.1746982146092961
Energy: 1.1712847432137186
Energy: 1.7844493117019697
Energy: 1.2291434362023008
Energy: 1.2362071675095123
Energy: 1.1594180585104303
Energy: 1.2326939301019713
Energy: 1.2380508311519258
Energy: 1.7845498347417703
Energy: 1.2317025394757717
Energy: 1.237010282085562
Energy: 1.146390213293082
Energy: 1.2319261624139761
Energy: 1.1453144521580816
Energy: 1.1750262365706288
Energy: 1.2327891407775289
Energy: 1.2378290150370557
Energy: 1.175423656647568
Energy: 1.2321538074715868
Energy: 1.2367280707738173
Energy: 2.092031770313772
Energy: 1.2406539992081145
Energy: 1.1577967946225693
Energy: 1.2201576241889176
Energy: 1.2416207140540156
Energy: 1.156468770166752

minimum gb energy = 1.1453144521580816 eV
minimum distance =  2.3822242456271 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.8996381250791026
Energy: 1.3012336736913175
Energy: 1.3006459624250597
Energy: 1.3613321711834039
Energy: 1.2678833883338376
Energy: 1.3696970190375624
Energy: 1.6643389518173008
Energy: 1.268425566780992
Energy: 1.267943735617468
Energy: 1.304354650917294
Energy: 1.2682109571338482
Energy: 1.267928185270292
Energy: 1.9514558819935004
Energy: 1.2682077817772897
Energy: 1.2689543020086755
Energy: 1.32271247313966
Energy: 1.2684248965304217
Energy: 1.2695580981064327
Energy: 1.5571835108072836
Energy: 1.2702639480157718
Energy: 1.267807346185792
Energy: 1.305854900842474
Energy: 1.2684028397393763
Energy: 1.2675341289025734
Energy: 1.5646460628016794
Energy: 1.2676612184961988
Energy: 1.303903803882343
Energy: 1.2485181101188094
Energy: 1.2676021032474045
Energy: 1.3045661913544613
Energy: 1.5633950845708962
Energy: 1.237264509628607
Energy: 1.302949084231619
Energy: 1.3040311901260102
Energy: 1.236843051700364
Energy: 1.303816902307551
Energy: 1.5649808005651111
Energy: 1.2482987523130082
Energy: 1.3036282020508576
Energy: 1.3036352668349656
Energy: 1.2480036312724825
Energy: 1.304163672167112
Energy: 1.4151462385559392
Energy: 1.2373562215489498
Energy: 1.237052434089244
Energy: 1.268091700238118
Energy: 1.2399182856305715
Energy: 1.2381994875552218
Energy: 1.2680926969538295
Energy: 1.2376052564901332
Energy: 1.2377217401441056
Energy: 1.2679434162897711
Energy: 1.2371884984448547
Energy: 1.2372521999673676
Energy: 1.2675073199650502
Energy: 1.3044819835006418
Energy: 1.2678251045677416
Energy: 1.2678444107680422
Energy: 1.303949487099157
Energy: 1.2679585853374018
Energy: 1.2669245963012392
Energy: 1.3131222930572164
Energy: 1.3094123166535172
Energy: 1.2675972428372477
Energy: 1.3095402552941866
Energy: 1.2683723998064522
Energy: 1.4156542181810994
Energy: 1.3036109100995514
Energy: 1.3030234382581456
Energy: 1.267922559080604
Energy: 1.3230313681271106
Energy: 1.268122455570747
Energy: 1.23717770147807
Energy: 1.3033756381977704
Energy: 1.3035688963270495
Energy: 1.2405059650540398
Energy: 1.303982801149525
Energy: 1.3045991503128707
Energy: 1.4160287756835128
Energy: 1.303997782348687
Energy: 1.3039220528932034
Energy: 1.2483100260016788
Energy: 1.3066642916385582
Energy: 1.3044905370682287
Energy: 1.8674087276974123
Energy: 1.2682991737444123
Energy: 1.2687360802626866
Energy: 1.2378608389850425
Energy: 1.2681490176533758
Energy: 1.2372855481915084
Energy: 1.8675425730381259
Energy: 1.2479337752051733
Energy: 1.2384054608097734
Energy: 1.239501903234227
Energy: 1.268997694584284
Energy: 1.237199700392327
Energy: 1.5649051072464935
Energy: 1.2687758407884677
Energy: 1.268282694924201
Energy: 1.2483669835871811
Energy: 1.267734857809564
Energy: 1.2678912417889638
Energy: 1.5572195091119478
Energy: 1.2690239190545534
Energy: 1.2683504152743232
Energy: 1.3054445373159442
Energy: 1.2680052956134116
Energy: 1.2477779332782497
Energy: 1.5586311287091066
Energy: 1.2690783409731683
Energy: 1.2682422334086756
Energy: 1.305534224601282
Energy: 1.2684063426693784
Energy: 1.268367504648505
Energy: 1.5643138150151226
Energy: 1.2371543545443817
Energy: 1.303328498367265
Energy: 1.3043551978224295
Energy: 1.236810904542025
Energy: 1.3027085553144726
Energy: 1.5632479659382585
Energy: 1.2683110913658642
Energy: 1.303916319552288
Energy: 1.3038550497910106
Energy: 1.2679688184863043
Energy: 1.3038896219202618
Energy: 1.5638640755748732
Energy: 1.3047522509291276
Energy: 1.303063938394958
Energy: 1.2673758760296423
Energy: 1.248350791568896
Energy: 1.3032556184512156
Energy: 1.4158782553472358
Energy: 1.2367437032592827
Energy: 1.2373859074188382
Energy: 1.268341127851158
Energy: 1.2387009615794509
Energy: 1.237506788262369
Energy: 1.2678347926780835
Energy: 1.268961105632157
Energy: 1.2679241276371953
Energy: 1.2680882377840985
Energy: 1.2863622606267904
Energy: 1.2680658353132483
Energy: 1.2680824293006006
Energy: 1.3039045690066924
Energy: 1.2691262403105996
Energy: 1.2681228340209985
Energy: 1.322579413415728
Energy: 1.268847723122755
Energy: 1.2477374146470905
Energy: 1.3063714430611677
Energy: 1.3057627658102455
Energy: 1.267664805657495
Energy: 1.3062208378076254
Energy: 1.2681599666095729
Energy: 1.564122431232747
Energy: 1.3037708451952121
Energy: 1.3041069255052005
Energy: 1.268056097818884
Energy: 1.3040642875565702
Energy: 1.3047739774200298
Energy: 1.2366719425620074
Energy: 1.3035000906333742
Energy: 1.3054669120865026
Energy: 1.236713833259826
Energy: 1.3037550757669196
Energy: 1.3022381710974347
Energy: 1.4159292455119454
Energy: 1.3033997984361416
Energy: 1.3054615448686355
Energy: 1.2485316634288284
Energy: 1.303621140926387
Energy: 1.302915842225742
Energy: 1.865694969656842
Energy: 1.2474433332056103
Energy: 1.237943638542913
Energy: 1.2385584079491656
Energy: 1.2686240938973683
Energy: 1.2383665805002722

minimum gb energy = 1.2366719425620074 eV
minimum distance =  2.36891193845541 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.5638691282214885
Energy: 1.0180082083190247
Energy: 1.3123108286425544
Energy: 1.1254942741212326
Energy: 1.0663150866680586
Energy: 1.0173375741253994
Energy: 1.2912099793956346
Energy: 1.0661149993688377
Energy: 1.06627008382786
Energy: 1.066384131421045
Energy: 1.0670411949016783
Energy: 1.066769407602451
Energy: 1.3738287287202844
Energy: 1.1256266796339696
Energy: 1.0665126645459129
Energy: 1.0668082873631062
Energy: 1.0657301686274945
Energy: 1.0671464878094423
Energy: 1.289386171408612
Energy: 1.0663864560414502
Energy: 1.066497791936371
Energy: 1.066457153427021
Energy: 1.0668745011353888
Energy: 1.0662075837472365
Energy: 1.4728503656517589
Energy: 1.0183935661976125
Energy: 1.066622287279727
Energy: 1.0665170488105988
Energy: 1.018137102991357
Energy: 1.06837889211317
Energy: 1.2497016417426592
Energy: 1.137781017584463
Energy: 1.0912488313653967
Energy: 1.2478040261919894
Energy: 1.1373556169530405
Energy: 1.0177067764059466
Energy: 1.2501136293733146
Energy: 1.0991146554534386
Energy: 1.0679145931729503
Energy: 1.0669479248685092
Energy: 1.0955321479193678
Energy: 1.067336615691591
Energy: 1.310386172368856
Energy: 1.0895060306640698
Energy: 1.0908264130753582
Energy: 1.1279700709451495
Energy: 1.089073427389194
Energy: 1.06531660349739
Energy: 1.3740450796097758
Energy: 1.0657323883770715
Energy: 1.0993938002716628
Energy: 1.067037125665341
Energy: 1.0661463125099386
Energy: 1.1002165646592434
Energy: 1.168318651125088
Energy: 1.068002074920503
Energy: 1.0672419569034954
Energy: 1.0664511471618223
Energy: 1.104810446721325
Energy: 1.0677256032880134
Energy: 1.3769359888291566
Energy: 1.1592449360311734
Energy: 1.1588427775191041
Energy: 1.067841266366724
Energy: 1.1627543790985908
Energy: 1.0980693491551088
Energy: 1.2912099797206384
Energy: 1.066510768724
Energy: 1.0665398486574464
Energy: 1.0668573719008343
Energy: 1.0671066399362805
Energy: 1.0667766370444758

minimum gb energy = 1.0173375741253994 eV
minimum distance =  2.40485997250403 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.9505484883532433
Energy: 1.0153576212711102
Energy: 0.9774580240339888
Energy: 1.0072732712980834
Energy: 1.0472988364995888
Energy: 1.0094081743706145
Energy: 1.0310812290681186
Energy: 0.9759086289454909
Energy: 0.9795543597509956
Energy: 0.9798046998029406
Energy: 0.986519674523567
Energy: 0.9792233348168591
Energy: 1.1438508377485368
Energy: 0.984533637888189
Energy: 0.9858413570486317
Energy: 1.0046061667741983
Energy: 0.9840336123014364
Energy: 0.9872309038107187
Energy: 1.144809621185659
Energy: 0.9867614475922724
Energy: 0.9884599961675405
Energy: 0.9869542099235742
Energy: 0.9859785158975334
Energy: 0.9864492661090748
Energy: 1.0119335365720554
Energy: 1.0121999394262766
Energy: 0.9782874094096099
Energy: 0.9950964119880324
Energy: 0.984070401333604
Energy: 1.0021807065958361
Energy: 1.0738530005785474
Energy: 0.987405470625821
Energy: 0.9821592816277578
Energy: 0.9924001620305967
Energy: 0.9822720908313934
Energy: 0.9820566616095286
Energy: 1.07593861178347
Energy: 0.9880503416986739
Energy: 0.9918974518275172
Energy: 1.0003275208494773
Energy: 0.9866447243409255
Energy: 0.9861016574410125
Energy: 1.0963497974026761
Energy: 0.9786115776922756
Energy: 0.9867932290267729
Energy: 0.990017092152776
Energy: 0.9739329122583845
Energy: 0.9869371742168118
Energy: 1.2642541737852386
Energy: 0.9966242749006056
Energy: 0.9882850834477587
Energy: 0.9847049450103453
Energy: 0.9862810690028387
Energy: 0.9891003277713231
Energy: 1.0304987361749824
Energy: 0.9872399462879663
Energy: 0.9864492839050207
Energy: 0.9854028527134959
Energy: 0.9884456623071767
Energy: 0.9851870559390126
Energy: 1.0304364390877614
Energy: 0.9873064463741136
Energy: 0.9889714585294846
Energy: 0.9784107186813549
Energy: 0.9869856364870289
Energy: 1.0034851657782267
Energy: 1.2645050860820595
Energy: 1.003854973307147
Energy: 0.9993160304574472
Energy: 0.9870001554007286
Energy: 1.0133927618766114
Energy: 1.004557659246028
Energy: 1.5147143454026832
Energy: 1.0073532077385998
Energy: 0.9911699141850189
Energy: 1.0019563730168057
Energy: 1.0100402190075979
Energy: 0.9917475665381666
Energy: 1.2641216267607636
Energy: 0.9989307153584903
Energy: 0.9999908868753469
Energy: 0.9869295948690662
Energy: 1.0036391404226193
Energy: 1.0050179659224767
Energy: 1.062664252390611
Energy: 0.9562910354065651
Energy: 0.9549459413969991
Energy: 0.9852538275874164
Energy: 0.9573116032244009
Energy: 0.9904036467521988
Energy: 1.0626519330660624
Energy: 0.974227906848648
Energy: 0.9934279046493854
Energy: 0.9856782260969668
Energy: 0.9790785915354281
Energy: 1.0013846024424489
Energy: 1.061253996981333
Energy: 1.001988442471931
Energy: 0.9904014029893433
Energy: 0.9851344436266178
Energy: 0.9835085485560784
Energy: 0.9893699480574706
Energy: 1.1555319393663015
Energy: 1.0012460679649238
Energy: 0.991054807485811
Energy: 0.9783230828098642
Energy: 0.9918590616594523
Energy: 0.9907572439204434
Energy: 1.1445232778031835
Energy: 0.9745199838993972
Energy: 0.9760867592098845
Energy: 1.0016837397678056
Energy: 0.9765884357436595
Energy: 0.9772914981695999
Energy: 1.1425198399858176
Energy: 0.9715114159347428
Energy: 0.9703704602991857
Energy: 0.9746874803189366
Energy: 0.9738805065210827
Energy: 0.9581609065947246
Energy: 1.1446597614431842
Energy: 0.9956067369342267
Energy: 0.9929822754886104
Energy: 0.9990019288156047
Energy: 1.0011713450446007
Energy: 0.9747374586491144
Energy: 1.194040068068082
Energy: 0.9992711272413841
Energy: 0.9836071534001322
Energy: 0.9843287315415973
Energy: 1.004746667582375
Energy: 0.9755603408838176
Energy: 1.443654996343719
Energy: 0.9834298080466498
Energy: 0.9869989914288666
Energy: 0.984182077799805
Energy: 0.9836050199078307
Energy: 0.9832510438050032
Energy: 1.0000039487235306
Energy: 0.9862445541122326
Energy: 1.0007471226887636
Energy: 1.0052507997780464
Energy: 0.98476831329859
Energy: 0.9928569964994975
Energy: 1.368993762459526
Energy: 0.9800151722463506
Energy: 0.9902941042231822
Energy: 0.9780830477888204
Energy: 0.9862018551493233
Energy: 0.9866541668815043
Energy: 1.0000225143804413
Energy: 0.9878761228150672
Energy: 1.0058653416424508
Energy: 0.9940909319538099
Energy: 0.987501803478536
Energy: 1.000911702874441
Energy: 1.2443797049304433
Energy: 0.9900131380355698
Energy: 0.9851868113239111
Energy: 1.2505655342260307
Energy: 1.0207010097983298
Energy: 0.995863196091334
Energy: 1.0746691758352085
Energy: 0.9864469913163235
Energy: 0.9870722900148254
Energy: 0.9878137087940602
Energy: 0.9857360577434747
Energy: 1.0025488659667248
Energy: 1.0744891423368899
Energy: 1.0049667528696333
Energy: 1.0040165582996283
Energy: 1.0086497188397843
Energy: 0.9863385129416569
Energy: 0.9897574869496848
Energy: 1.069292493658327
Energy: 0.976501563075294
Energy: 0.986200554008883
Energy: 0.9871415326464437
Energy: 0.9739905035471772
Energy: 0.9864170201504264
Energy: 1.0303619080268005
Energy: 0.9875759694854978
Energy: 0.9893553426155689
Energy: 0.9786256836536473
Energy: 0.9848774164868044
Energy: 0.9868669554393436
Energy: 1.8027636975256993
Energy: 0.9905466091635983
Energy: 0.9876538817101582
Energy: 0.9804482515737265
Energy: 1.0513817847598466
Energy: 0.984790876632593
Energy: 1.2640863889752785
Energy: 0.9993037027734906
Energy: 0.9862423030999512
Energy: 0.9848514089092466
Energy: 1.0024922692426683
Energy: 0.9864867316913922
Energy: 1.1174167427652688
Energy: 1.0006728963880451
Energy: 0.9995372152989486
Energy: 1.0024580071167695
Energy: 0.9950997147647979
Energy: 0.9859518083783222
Energy: 1.267046709202458
Energy: 1.0001915689358218
Energy: 1.0003485304359907
Energy: 0.985397652379234
Energy: 1.000250215926227
Energy: 1.0014552849930891
Energy: 1.095948167665579
Energy: 0.9566609360027394
Energy: 0.9801127057063921
Energy: 0.987815635491312
Energy: 0.9577116975213216
Energy: 0.9936037549819964
Energy: 1.062249843312714
Energy: 0.9938831744805471
Energy: 0.9789416076126031
Energy: 0.9845333253331888
Energy: 0.9812320669914338
Energy: 0.9878392259289817
Energy: 1.061187985691926
Energy: 0.9800548155473274
Energy: 0.986270780156286
Energy: 0.9851368051461703
Energy: 0.9802925064277287
Energy: 0.9791936968647615
Energy: 1.0614250306616602
Energy: 1.0015691550612105
Energy: 1.002636593554654
Energy: 0.9853605041454019
Energy: 1.0194646439279824
Energy: 1.0124993693381472
Energy: 1.1450464557934936
Energy: 0.9800304414266429
Energy: 0.9864083445202437
Energy: 0.9854014566343494
Energy: 0.9806555247808385
Energy: 0.980548654611992
Energy: 1.1395442293860802
Energy: 0.9601382600175923
Energy: 0.9590051036838794
Energy: 0.9777753734316549
Energy: 0.9740727719236832
Energy: 0.97450942020725
Energy: 1.144843737670849
Energy: 0.9717808632965644
Energy: 0.9717106298493813
Energy: 1.0051383556437243
Energy: 0.9734422531371623
Energy: 0.9743970125878461
Energy: 1.4431204731732568
Energy: 0.9859727749242144
Energy: 0.9865862007650688
Energy: 0.9845322316011716
Energy: 0.9754631732981648
Energy: 0.9834407375659092

minimum gb energy = 0.9505484883532433 eV
minimum distance =  2.36825059484387 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.8977114528721828
Energy: 0.8536641655092562
Energy: 0.538990271507643
Energy: 0.5400501625913571
Energy: 0.9354354975378053
Energy: 0.8067374332308804
Energy: 0.9000998856382314
Energy: 0.8930326455659234
Energy: 0.8974210574897374
Energy: 0.902460978449311
Energy: 0.8957862857995269
Energy: 0.8965854961469805
Energy: 1.1335275305498633
Energy: 0.9741832356071748
Energy: 0.8951924901905854
Energy: 0.9078116831771782
Energy: 0.9803750915907307
Energy: 0.9687461299482981
Energy: 1.1337748807738897
Energy: 0.9743933162320568
Energy: 0.9751463728294256
Energy: 0.9828472633748444
Energy: 0.9809453140917802
Energy: 0.9694624490072934
Energy: 1.1270227633123562
Energy: 0.5393594217440146
Energy: 0.5403624001379062
Energy: 0.8998906390872287
Energy: 0.5394346240707355
Energy: 0.9805541793632567
Energy: 1.2037074186859553
Energy: 0.5373068555779732
Energy: 0.5397915844427031
Energy: 0.9874882864602444
Energy: 0.5381131851387142
Energy: 0.537444258677883
Energy: 1.1953541994018468
Energy: 0.9817125692452399
Energy: 0.9694492084114891
Energy: 0.9797289411684444
Energy: 0.9758433803086136
Energy: 0.9778234815245685
Energy: 1.2052029049784945
Energy: 1.0751187041696793
Energy: 0.9698889743513519
Energy: 1.096872305138569
Energy: 0.9729770266289398
Energy: 0.9761458832648164
Energy: 1.243206921013896
Energy: 0.9725859625538843
Energy: 1.0737906413142897
Energy: 1.0835230214164968
Energy: 1.0780556302670463
Energy: 1.075550835537836
Energy: 0.580670822085207
Energy: 1.0766259354324317
Energy: 0.536998695867819
Energy: 0.5389930374695593
Energy: 1.0859574639658645
Energy: 0.5383876106023204
Energy: 0.5808116924494552
Energy: 1.0742739286426537
Energy: 1.0935906879508632
Energy: 0.5389945628228794
Energy: 1.0957057884918922
Energy: 0.5385393698156946
Energy: 1.244673929719072
Energy: 0.970854470161038
Energy: 1.071267392137976
Energy: 1.0892843125355196
Energy: 1.102077977297302
Energy: 1.0775894916559186
Energy: 1.7069884125658445
Energy: 0.9749738851420299
Energy: 0.9722716592072506
Energy: 1.0816769113412845
Energy: 0.9725757588653743
Energy: 0.9679442270302183
Energy: 1.2429862291274554
Energy: 0.9846302851528702
Energy: 0.9760631889912126
Energy: 0.9796279060371363
Energy: 0.9780786029925383
Energy: 0.9823081471800351
Energy: 1.251025843375212
Energy: 0.5366037318976701
Energy: 0.5363713258805951
Energy: 1.0016403386041963
Energy: 0.5381860460044969
Energy: 0.5374333955490999
Energy: 1.0804040148633745
Energy: 0.9737653545160675
Energy: 0.9835473549867318
Energy: 0.9011953629731263
Energy: 0.5425415025666148
Energy: 0.9733294382649368
Energy: 1.0841610484392659
Energy: 0.9704528577267222
Energy: 0.9730793750166783
Energy: 0.9795786910765643
Energy: 0.9754899717327187
Energy: 0.9679595961056554
Energy: 1.131717297285093
Energy: 0.9749335492150191
Energy: 0.8978424911620702
Energy: 0.9038590664339861
Energy: 0.8976414632690004
Energy: 0.9707628579828509
Energy: 0.900048194924969
Energy: 0.8967362895170968
Energy: 0.8962689020348658
Energy: 0.5397299833331609
Energy: 0.8972760611921456
Energy: 0.8985413586868295

minimum gb energy = 0.5363713258805951 eV
minimum distance =  2.36111344648581 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.6631463132649396
Energy: 0.7636041019919377
Energy: 0.9849871184014393
Energy: 0.7737888253205281
Energy: 0.9556538187139418
Energy: 0.9833362049571853
Energy: 0.8300700636870461
Energy: 0.7660109854573008
Energy: 0.7696543791267233
Energy: 0.7611349254824321
Energy: 0.7625867853057966
Energy: 0.7694616084401682
Energy: 0.8247426455907142
Energy: 0.7618991258039616
Energy: 0.7624620687531348
Energy: 0.7611022282076878
Energy: 0.7614927942581333
Energy: 0.7653058690526907
Energy: 0.823771168557036
Energy: 0.764075271008196
Energy: 0.764126643432202
Energy: 0.7608112572962155
Energy: 0.7612572675672312
Energy: 0.7643822147990731
Energy: 0.8096500501627086
Energy: 0.8763977936970856
Energy: 0.8779792127206328
Energy: 0.7626758433242079
Energy: 0.874651732904178
Energy: 0.7663543754589236
Energy: 0.860448459871215
Energy: 0.7701305344232512
Energy: 0.7696204155394321
Energy: 0.7594378886657822
Energy: 0.7637127480001293
Energy: 0.8772710169015735
Energy: 0.8684577040823581
Energy: 0.7647156664197549
Energy: 0.7651177814396581
Energy: 0.7618572085595848
Energy: 0.7618280696754669
Energy: 0.765321100535214
Energy: 0.8317687852358889
Energy: 0.9353026808951745
Energy: 0.9369593221552015
Energy: 0.7597109316084887
Energy: 0.9337707785683781
Energy: 0.7755593016132732
Energy: 0.8630813468446705
Energy: 0.7621959518964301
Energy: 0.7628572734212804
Energy: 0.7626565056425644
Energy: 0.7621559288349888
Energy: 0.765301814402005
Energy: 1.1737446331697556
Energy: 0.7688025619363058
Energy: 0.7690418852489551
Energy: 0.7650990545961055
Energy: 0.7657575807065284
Energy: 0.7682842293219393
Energy: 0.9006175237624208
Energy: 0.8742740468672597
Energy: 0.8778745553151881
Energy: 0.8743524257199631
Energy: 0.8740557304909817
Energy: 0.8784151958499887
Energy: 1.037417570983917
Energy: 0.7603211891643109
Energy: 0.7631833320396718
Energy: 0.9335143551013398
Energy: 0.7634186038931006
Energy: 0.7612078754083536
Energy: 1.2221394009852724
Energy: 0.761031212548915
Energy: 0.7593843198708623
Energy: 0.9345758548972232
Energy: 0.7659875787803507
Energy: 0.7612215869475872
Energy: 1.0395705858583102
Energy: 0.9884581698984919
Energy: 0.987026860415087
Energy: 0.8781670837405997
Energy: 0.8778760572574943
Energy: 0.9866709717365846
Energy: 1.040631283961702
Energy: 0.763858598555748
Energy: 0.7657791628939626
Energy: 0.8764639882122225
Energy: 0.7631335799047108
Energy: 0.8788199006919994
Energy: 1.2637599547804257
Energy: 0.878089201984265
Energy: 0.985376807546434
Energy: 0.8768831262868828
Energy: 0.8774888343419247
Energy: 0.9862849662632825
Energy: 1.4158613173079289
Energy: 0.780017229630144
Energy: 0.7640627030255692
Energy: 1.1173160529810813
Energy: 0.7826271736750298
Energy: 0.7642746297431556
Energy: 1.642436396868389
Energy: 0.875894804611779
Energy: 0.8767240479975426
Energy: 0.7617926192007903
Energy: 0.8752805520020813
Energy: 0.8774944560906524
Energy: 1.263803127081804
Energy: 0.7653022192215216
Energy: 0.7640728798289326
Energy: 0.7621161782889444
Energy: 0.7607430877219514
Energy: 0.7634138568204291
Energy: 1.1362635363677502
Energy: 0.9577104834114267
Energy: 0.9519948201103084
Energy: 0.9397978732271799
Energy: 0.931650306010011
Energy: 0.9442257481963199
Energy: 1.2634065699152917
Energy: 0.8744783417973168
Energy: 0.8769537754407855
Energy: 0.8764290544938514
Energy: 0.9822232835028393
Energy: 0.8756532409635068
Energy: 0.8138464332287082
Energy: 0.7665621737353814
Energy: 0.7670837438712851
Energy: 0.8750403357868373
Energy: 0.7653195017673666
Energy: 0.9862592491090861
Energy: 0.8168713051603715
Energy: 0.8755072853910206
Energy: 0.8792874070892785
Energy: 0.7613905367094456
Energy: 0.7667999749355069
Energy: 0.8781014332791612
Energy: 0.9961936027835344
Energy: 0.760240507744548
Energy: 0.7609696154373264
Energy: 0.9350907201346956
Energy: 0.7610905886406737
Energy: 0.7674514566786049
Energy: 0.9841974481166423
Energy: 0.7630286755881786
Energy: 0.7619008371207739
Energy: 0.9355765557652336
Energy: 0.7612079970848088
Energy: 0.7605919752576016
Energy: 0.890515709265381
Energy: 0.76301649040169
Energy: 0.7662262955594948
Energy: 0.9813790062189952
Energy: 0.7605676070866901
Energy: 0.76706056662183

minimum gb energy = 0.7593843198708623 eV
minimum distance =  2.41553868186548 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.8350454711950401
Energy: 0.8114945991497883
Energy: 0.8121336603316806
Energy: 1.2624873664109202
Energy: 0.8117094298138704
Energy: 0.8405468252383373
Energy: 0.9020422928113074
Energy: 0.8112540493707022
Energy: 0.8098785425827967
Energy: 0.8152073426550945
Energy: 0.8139453397967953
Energy: 0.8097464030201829
Energy: 0.8671275433357982
Energy: 0.8119900032122692
Energy: 0.8114333719432921
Energy: 0.813440129096761
Energy: 0.8123409981829802
Energy: 0.8114764994362643
Energy: 0.8671320916299555
Energy: 0.8128947906528412
Energy: 0.8113899804984238
Energy: 0.8138375021708959
Energy: 0.8132987748783755
Energy: 0.811596772013409
Energy: 0.8695964584225303
Energy: 0.8214444332152984
Energy: 0.8196134260462496
Energy: 0.8121172631545602
Energy: 0.8211029840084229
Energy: 0.810875869204181
Energy: 0.9478938725242007
Energy: 0.8128800480498244
Energy: 0.8126989369694219
Energy: 0.8136720474774273
Energy: 0.8136221651558991
Energy: 0.8134491065896342
Energy: 0.9482374702564902
Energy: 0.8144382798016302
Energy: 0.8124364668634505
Energy: 0.8122636338416349
Energy: 0.8155387058314578
Energy: 0.8118444479236011
Energy: 0.8995871303337201
Energy: 0.8139593791745878
Energy: 0.8150539013807483
Energy: 0.8172617584298218
Energy: 0.813561115249782
Energy: 0.8083308020639534
Energy: 0.9503534533928154
Energy: 0.8104430097867268
Energy: 0.8113324105110505
Energy: 0.8109461524417417
Energy: 0.8146867633161969
Energy: 0.8123624456993285
Energy: 1.3910282697258314
Energy: 0.8118211231765787
Energy: 0.8113383401215108
Energy: 0.8194031682214664
Energy: 0.8166701793678737
Energy: 0.8104594401099551
Energy: 0.9471787556359714
Energy: 0.8148026580894614
Energy: 0.813332191572967
Energy: 0.8185047928974111
Energy: 0.8160485179429058
Energy: 0.8137629329466256
Energy: 0.9493482464937967
Energy: 0.8082485282422478
Energy: 0.8081933598261299
Energy: 0.816003120554813
Energy: 0.8108357796701571
Energy: 0.8136937653642333
Energy: 0.8733084415494896
Energy: 0.8093908784190468
Energy: 0.809442296878464
Energy: 0.8158894060922197
Energy: 0.8103755492577878
Energy: 0.8099508850545202
Energy: 0.8768921915293582
Energy: 0.8099313097727574
Energy: 0.8089620003200206
Energy: 0.8163908417801593
Energy: 0.8111902087248442
Energy: 0.8083660903003269
Energy: 0.8742832387269399
Energy: 0.8102842424545638
Energy: 0.809551947721302
Energy: 0.8133512547858788
Energy: 0.8374729351457184
Energy: 0.8102423413349408
Energy: 0.87237382773432
Energy: 0.8119446648648736
Energy: 0.8106530504981216
Energy: 0.8162163930131977
Energy: 0.8106564482162679
Energy: 0.8105338225888603
Energy: 1.816797776031422
Energy: 0.815817046697873
Energy: 0.8113074575028322
Energy: 1.3591055358371602
Energy: 0.8141931468065939
Energy: 0.8170990817445011
Energy: 0.9008904263760362
Energy: 0.8147607580639528
Energy: 0.8121434816305788
Energy: 0.8136689525580681
Energy: 0.8164042523404146
Energy: 0.8126738057104465
Energy: 0.8682530400460086
Energy: 0.8110226050141061
Energy: 0.8104957913328464
Energy: 0.8161554790507309
Energy: 0.8120682901771892
Energy: 0.8118965818406941
Energy: 0.8667800152444203
Energy: 0.8124554485039732
Energy: 0.810561916590579
Energy: 0.8134868521580543
Energy: 0.8118967247984883
Energy: 0.8103956669739151
Energy: 0.8712088694362402
Energy: 0.8112237545638519
Energy: 0.8140391426047385
Energy: 0.8161348564724866
Energy: 0.813789680029401
Energy: 0.8119322355922378
Energy: 1.4878205058067713
Energy: 1.0619940510000996
Energy: 1.0614669733958908
Energy: 0.8134408448110858
Energy: 0.842222952477676
Energy: 1.0521510925190511
Energy: 0.9503038377523897
Energy: 0.8131326688721537
Energy: 0.8108456040119763
Energy: 0.8175255410506029
Energy: 0.8149361715430066
Energy: 0.8089429352751626
Energy: 0.899218219983257
Energy: 0.848161129142465
Energy: 0.8483230429933529
Energy: 0.8164634107629627
Energy: 0.8126226417252403
Energy: 0.8113555660549873
Energy: 0.9486356126047693
Energy: 0.8146144030190104
Energy: 0.8108592272784858
Energy: 0.8089401135198915
Energy: 0.8089634868741623
Energy: 0.8104636747444208
Energy: 0.9500291383853833
Energy: 0.8151735384308374
Energy: 0.8139739487049517
Energy: 0.8182653938273755
Energy: 0.8159127012353176
Energy: 0.8143280214982778
Energy: 0.9471355726992368
Energy: 0.8136089237380821
Energy: 0.8115133456546053
Energy: 0.8192586066969211
Energy: 0.8134621856268208
Energy: 0.8099973238316864
Energy: 0.9473860116677605
Energy: 0.8160680769604679
Energy: 0.8241508701985305
Energy: 0.815463027206645
Energy: 0.818970719554859
Energy: 0.8057966352990025
Energy: 0.8750330023022659
Energy: 0.8119843108175817
Energy: 0.8606102484825996
Energy: 0.8050175390419617
Energy: 0.87647675132663
Energy: 0.8568260397196638
Energy: 0.8736621374244475
Energy: 0.8066419862534371
Energy: 0.8242187803633648
Energy: 0.8147950393059079
Energy: 0.823525243387517
Energy: 0.825802133474511
Energy: 0.8784571150846174
Energy: 0.8094892849385218
Energy: 0.8101577130033896
Energy: 0.81357334323498
Energy: 1.0771222836212937
Energy: 0.8122654286624548
Energy: 0.8731707966080177
Energy: 0.813121680769325
Energy: 0.8114292490198802
Energy: 0.811007990308932
Energy: 0.8096480906459442
Energy: 0.8097253084577313
Energy: 0.996011197473089
Energy: 0.8133765855114808
Energy: 0.8167689453050546
Energy: 0.8161418136886129
Energy: 0.8141343585126096
Energy: 0.8118280252434074

minimum gb energy = 0.8050175390419617 eV
minimum distance =  2.4023197575431 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.0804379190785038
Energy: 0.962718742666193
Energy: 0.8773231794852202
Energy: 0.940132878992199
Energy: 0.8768998755275911
Energy: 0.877184281877466
Energy: 0.9899460394038438
Energy: 0.878793353615301
Energy: 0.8751928073961567
Energy: 0.8812548181678697
Energy: 0.8782718554609036
Energy: 0.8750772366417625
Energy: 0.9388473724226125
Energy: 0.8818051850253065
Energy: 0.8800196181597368
Energy: 0.8825396920502595
Energy: 0.8845700482101431
Energy: 0.879051608436462
Energy: 0.9402094927441743
Energy: 0.8765158368221949
Energy: 0.878821788096646
Energy: 0.8796875122947381
Energy: 0.8827394600969247
Energy: 0.8784484346636251
Energy: 0.9354931738493957
Energy: 0.8875417562500709
Energy: 0.8828562187309688
Energy: 0.8759933724282474
Energy: 0.8865436850559847
Energy: 0.883722180440782
Energy: 0.9334102127904491
Energy: 0.8857624896979713
Energy: 0.8835278219043339
Energy: 0.8736538700623311
Energy: 0.8877345301510069
Energy: 0.8836552073402995
Energy: 0.9908037539406559
Energy: 0.8908767586494962
Energy: 0.8757517389527385
Energy: 0.8821647061661022
Energy: 0.8912146335497365
Energy: 0.876237587774842
Energy: 0.9802072788913923
Energy: 0.889375804533456
Energy: 0.9339559557992049
Energy: 0.8761358641608343
Energy: 0.8904447405848818
Energy: 0.8737016676277974
Energy: 0.9905865824634932
Energy: 0.8908033451726403
Energy: 0.8984656930037687
Energy: 0.8858083759508658
Energy: 0.8855099445816523
Energy: 0.8995996303233367
Energy: 0.9944664296846291
Energy: 0.8954436982361428
Energy: 0.8951708192916611
Energy: 0.8818083270493705
Energy: 0.8874092488694398
Energy: 0.895948982063296
Energy: 0.9919630180366193
Energy: 0.8921227754290152
Energy: 0.8740693396086473
Energy: 0.8813203964322922
Energy: 0.892813342673554
Energy: 0.8750443235861306
Energy: 0.9913894098134414
Energy: 0.8757966979343579
Energy: 0.8919895256861136
Energy: 0.8788455641415139
Energy: 0.8759211479179784
Energy: 0.8925660337654967
Energy: 0.933812708742431
Energy: 0.8756551363342888
Energy: 0.8929969481647482
Energy: 0.8787198313471553
Energy: 0.8738653879343712
Energy: 0.8783647705664034
Energy: 0.9415188799501227
Energy: 0.8787903432992836
Energy: 0.8770534383164759
Energy: 0.8787385595852194
Energy: 0.8801128206475055
Energy: 0.8780691240937429
Energy: 0.8929955366821093
Energy: 0.8779565730417546
Energy: 0.876362744667587
Energy: 0.8854473288811683
Energy: 0.8772595909160698
Energy: 0.8751108760768563
Energy: 0.9506225417172584
Energy: 0.8835406593773782
Energy: 0.8792440195498176
Energy: 0.8800056151522349
Energy: 0.881818921962182
Energy: 0.8770972254925701
Energy: 0.9963132570186913
Energy: 0.8774635562028648
Energy: 0.8983063244764211
Energy: 0.8887211909059839
Energy: 0.8745705487598815
Energy: 0.8904571601820143
Energy: 0.9944623779777599
Energy: 0.8862841820583267
Energy: 0.8921705549995687
Energy: 0.886524683198996
Energy: 0.8780980855254044
Energy: 0.8936548541874941
Energy: 1.0114090637066255
Energy: 0.8776208551180583
Energy: 0.8832344255548422
Energy: 0.879234757146296
Energy: 0.8805622868136104
Energy: 0.8937629435747105
Energy: 0.9024136242265209
Energy: 0.8766552750142281
Energy: 0.8752850428477007
Energy: 0.8855433642839594
Energy: 0.8803967528313532
Energy: 0.8943994560518155
Energy: 0.9013502749904082
Energy: 0.8916063798531216
Energy: 0.8914792282477717
Energy: 0.8846750741194757
Energy: 0.8907525674393748
Energy: 0.8912186916869124
Energy: 0.9043166642038725
Energy: 0.8849651154588833
Energy: 0.8896428765440183
Energy: 0.8865019064718834
Energy: 0.8773418459427359
Energy: 0.8899969217963603
Energy: 0.9388505519606632
Energy: 0.8781555092094997
Energy: 0.8768612715429723
Energy: 0.8933991670523437
Energy: 0.881260861562484
Energy: 0.8911886214960477
Energy: 0.9874703174515052
Energy: 0.8767726635746057
Energy: 0.8741293466068647
Energy: 0.8755808647484461
Energy: 0.8777641653221491
Energy: 0.8735274454593432
Energy: 0.9873738974815549
Energy: 0.8808648355103813
Energy: 0.889337478709566
Energy: 0.8929485826947496
Energy: 0.8798594050917681
Energy: 0.8794529040350948
Energy: 0.9406651653457392
Energy: 0.8801855692469849
Energy: 0.8752783011762216
Energy: 0.8800781000761392
Energy: 0.8831085862594535
Energy: 0.8760920687639165
Energy: 0.9384703362535763
Energy: 0.8779700730099156
Energy: 0.8791113134879792
Energy: 0.8810601785014777
Energy: 0.8802164767990971
Energy: 0.8772738628972342
Energy: 0.9372259916694862
Energy: 0.8816460685203474
Energy: 0.8882933112692767
Energy: 0.8762909703113404
Energy: 0.8901384856846029
Energy: 0.8887109008894222
Energy: 0.9327600812130619
Energy: 0.8869068352042894
Energy: 0.8857461493096854
Energy: 0.8727357605978913
Energy: 0.8895414561620473
Energy: 0.8924625192929354
Energy: 0.9905534255703854
Energy: 0.8913703331271232
Energy: 0.8907599574154916
Energy: 0.8846146903240188
Energy: 0.8911135909838823
Energy: 0.8762920782861472
Energy: 0.9755917440589502
Energy: 0.8891338287255863
Energy: 0.9330370071414809
Energy: 0.8927803716868842
Energy: 0.8867165919717684
Energy: 0.8745775328752544
Energy: 0.9910545463768963
Energy: 0.8908876684338161
Energy: 0.8910628263993382
Energy: 0.8905020552614694
Energy: 0.8909370017434516
Energy: 0.8905014601628857
Energy: 0.9932566001486474
Energy: 0.8941205082249822
Energy: 0.8940882744382387
Energy: 0.879931844876675
Energy: 0.8939152361802889
Energy: 0.8935571962422706
Energy: 0.9929872899188975
Energy: 0.8937295861811155
Energy: 0.8934249094683262
Energy: 0.8794298867235887
Energy: 0.8890962088582929
Energy: 0.8773827122741804
Energy: 0.9911575821632067
Energy: 0.8920739291131192
Energy: 0.8982360893840896
Energy: 0.880819768072709
Energy: 0.8786153526163673
Energy: 0.8915528840853794
Energy: 0.9331285596709387
Energy: 0.873666730543688
Energy: 0.8769988211392523
Energy: 0.8747203312053098
Energy: 0.8737357424292881
Energy: 0.875345278980005
Energy: 0.9549594858956945
Energy: 0.8769968204534009
Energy: 0.8792263549327458
Energy: 0.8813916682279073
Energy: 0.8786061590047047
Energy: 0.8790478103185855
Energy: 0.9569226868098271
Energy: 0.8756578953651168
Energy: 0.879440693216628
Energy: 0.9486520050112756
Energy: 0.8751571082032675
Energy: 0.8767609610889843
Energy: 0.9551614388613042
Energy: 0.8818286275594088
Energy: 0.8751454416157795
Energy: 0.8795036588098099
Energy: 0.8822910365157942
Energy: 0.8739060390389906
Energy: 0.9950421522654093
Energy: 0.8783021825928545
Energy: 0.8783745290756251
Energy: 0.8876041697146825
Energy: 0.8757028504451034
Energy: 0.8867477388104551
Energy: 0.9953350124559033
Energy: 0.8839505434497047
Energy: 0.8919729304237379
Energy: 0.8843909272784183
Energy: 0.8760055160272734
Energy: 0.8921641873267763
Energy: 0.9402937709205272
Energy: 0.88324404345747
Energy: 0.8835393882350118
Energy: 0.8841562798457052
Energy: 0.8788420114471092
Energy: 0.8747751514665866
Energy: 0.9035909065205079
Energy: 0.8784791310204055
Energy: 0.8770588907498513
Energy: 0.8857144844302428
Energy: 0.880036483447588
Energy: 0.8786357511940879
Energy: 0.9049830771873109
Energy: 0.8917498012376707
Energy: 0.8937072561880774
Energy: 0.8838569209550374
Energy: 0.8914643453076878
Energy: 0.898540310299614
Energy: 0.9041422331916684
Energy: 0.8875920180852974
Energy: 0.8874277483974736
Energy: 0.891876670812466
Energy: 1.1848753474776332
Energy: 0.8888838917683216
Energy: 0.9395771795295296
Energy: 0.8782693369424083
Energy: 0.8770899550738279
Energy: 0.892388135385523
Energy: 0.8860843708788515
Energy: 0.8764129466037222
Energy: 0.9744509160309025
Energy: 0.8777038469422777
Energy: 0.8756126121767311
Energy: 0.8748084113785309
Energy: 0.8779072211401961
Energy: 0.8769235738669013

minimum gb energy = 0.8727357605978913 eV
minimum distance =  2.41142315495105 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.4606602653290488
Energy: 1.0376460642480558
Energy: 1.0397527939667057
Energy: 1.0371027254576608
Energy: 0.9365009360463522
Energy: 1.040176141823444
Energy: 1.0554090193259298
Energy: 0.9637846181678573
Energy: 0.9633165212540216
Energy: 0.9623913407367394
Energy: 0.9635610326330354
Energy: 0.9654186933421934
Energy: 0.9921076061611528
Energy: 0.9316606784411117
Energy: 0.9273230221691342
Energy: 0.92913323537918
Energy: 0.9312238612877103
Energy: 0.9261479689457575
Energy: 0.9920192163521188
Energy: 0.9271261728556007
Energy: 0.9267431133798067
Energy: 0.9291533892542874
Energy: 0.9276858766302603
Energy: 0.927526642358901
Energy: 1.0324425201754508
Energy: 0.9687345936636171
Energy: 0.9675068229495712
Energy: 0.9669472749900307
Energy: 0.9645583103796044
Energy: 0.9669807193375272
Energy: 1.0335587960642696
Energy: 0.9492071828836148
Energy: 0.9675496130599233
Energy: 0.9683532548814633
Energy: 0.9513815499792112
Energy: 0.9664948058203676
Energy: 1.0556111326550994
Energy: 0.9641220153507463
Energy: 0.9633376565281597
Energy: 0.9367412113921085
Energy: 0.9636624370594298
Energy: 0.9630695496094969

minimum gb energy = 0.9261479689457575 eV
minimum distance =  2.41797758728834 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.441646733651385
Energy: 1.1198765568281166
Energy: 0.9915000623339332
Energy: 1.1119468162750932
Energy: 1.183884012978329
Energy: 1.0584737484054894
Energy: 1.1691670076769538
Energy: 1.1122656355964753
Energy: 1.0551322314756648
Energy: 1.0414059676137868
Energy: 1.0555411217275952
Energy: 1.0483857100113527
Energy: 1.2424129266874802
Energy: 1.0994626046873557
Energy: 1.0990000090805074
Energy: 1.103771572805201
Energy: 1.1424999416218071
Energy: 1.199142772855517
Energy: 1.1835628020229205
Energy: 1.0584945835591801
Energy: 1.0561916997195129
Energy: 1.038117525546167
Energy: 1.1059996272892159
Energy: 1.0480780174363944
Energy: 1.202609171213485
Energy: 1.0166375717179248
Energy: 1.1466613192440518
Energy: 1.0277742869423105
Energy: 1.0151868358534646
Energy: 1.006757727242199
Energy: 1.2353593490166785
Energy: 1.010023870509515
Energy: 1.0121915403913857
Energy: 1.0399611902713948
Energy: 1.0069557721702758
Energy: 1.0202279399183476
Energy: 1.2256539934297237
Energy: 1.0208853758724707
Energy: 1.0105611448150291
Energy: 1.009076965328661
Energy: 1.0097743985867416
Energy: 1.022584119495378
Energy: 1.4061534979574322
Energy: 1.1995566307615637
Energy: 1.1482034842851316
Energy: 1.1716233971605756
Energy: 1.2493943703314763
Energy: 1.1731410446819472
Energy: 1.204637052389652
Energy: 1.292209470225575
Energy: 1.1840190052913644
Energy: 1.0107236329186067
Energy: 1.139477894254215
Energy: 1.1817136872694238
Energy: 1.3359867800546334
Energy: 1.1824324985456447
Energy: 1.1821368430282349
Energy: 1.2070298381005375
Energy: 1.1850619897814767
Energy: 1.19724365599168
Energy: 1.2487084976251446
Energy: 1.0610598845394383
Energy: 1.1001994087949323
Energy: 1.189211353352011
Energy: 1.0583339627499528
Energy: 1.143202286452918
Energy: 1.252027640211609
Energy: 1.140091050131759
Energy: 1.142302810432825
Energy: 1.1459784191311866
Energy: 1.1418283031807548
Energy: 1.1379342220443118
Energy: 1.157956237255119
Energy: 1.144423533115696
Energy: 1.1461222616541793
Energy: 1.0645702336769212
Energy: 1.142791036277067
Energy: 1.147599011580234
Energy: 1.3152492019903776
Energy: 1.168677342969594
Energy: 1.2910086769183495
Energy: 1.1843371760421157
Energy: 1.1679863374597281
Energy: 1.1900975702729157
Energy: 1.262607439597378
Energy: 1.2108341852164721
Energy: 1.2140717582418152
Energy: 1.1177474065036426
Energy: 1.224444000923888
Energy: 1.223572605760523
Energy: 1.3433101725842853
Energy: 1.2122931654011384
Energy: 1.1987043798540056
Energy: 1.1983943134961197
Energy: 1.1933963957565346
Energy: 1.198967310855334
Energy: 1.3396341992309948
Energy: 1.1869647046483585
Energy: 1.20242349283928
Energy: 1.1841402260883733
Energy: 1.1904149275509044
Energy: 1.183577105733597
Energy: 1.3529251302730896
Energy: 1.129964964491439
Energy: 1.247604389879988
Energy: 1.198751090531727
Energy: 1.1864507380546776
Energy: 1.1990762234890486
Energy: 1.2723099786918068
Energy: 1.1933885957184152
Energy: 1.1907423038983387
Energy: 1.1737546985309908
Energy: 1.2127766727492433
Energy: 1.1635301780343548
Energy: 1.2314645092597198
Energy: 1.2353863091748336
Energy: 1.20072073319758
Energy: 1.1622446165993796
Energy: 1.2551556530348136
Energy: 1.1644112338258559
Energy: 1.216944775351191
Energy: 1.125520788863949
Energy: 1.125324462341997
Energy: 1.1252948186746887
Energy: 1.1316414870635707
Energy: 1.1218074904782616
Energy: 1.2135261916311728
Energy: 1.1220143370319153
Energy: 1.1234834297155178
Energy: 1.1220170988183262
Energy: 1.1266891981473217
Energy: 1.1239944833385078
Energy: 1.2161821460992892
Energy: 1.1218099650799478
Energy: 1.133067309786513
Energy: 1.125338029826096
Energy: 1.1252144888337972
Energy: 1.1294630564637447
Energy: 1.2825222529255653
Energy: 1.1643397006295555
Energy: 1.1605477400896043
Energy: 1.1924133381311555
Energy: 1.1662803661244203
Energy: 1.2431623850562195
Energy: 1.2348033439697605
Energy: 1.2082164129293225
Energy: 1.2068504947042358
Energy: 1.1867424345023994
Energy: 1.2065026949982098
Energy: 1.203944739265247
Energy: 1.2292640809831372
Energy: 1.254247690389241
Energy: 1.0277161295652015
Energy: 1.0332712943651279
Energy: 1.2248248153787722
Energy: 1.0344517410258098
Energy: 1.06291605506337
Energy: 1.2276412176925962
Energy: 1.1045522204899565
Energy: 1.036095287922765
Energy: 1.2009820907930564
Energy: 1.0342913727279412
Energy: 1.234460494277582
Energy: 1.1978219493959203
Energy: 1.1940880305024046
Energy: 1.1860889772446055
Energy: 1.2074445482628795
Energy: 1.1932779955689998
Energy: 1.2983484270771664
Energy: 1.1563427407202662
Energy: 1.158723440823003
Energy: 1.2414182136407572
Energy: 1.1589700430097598
Energy: 1.239883305815463
Energy: 1.3035905542154202
Energy: 1.1469806573256618
Energy: 1.1477408448945419
Energy: 1.2616540943817904
Energy: 1.1284845335612106
Energy: 1.154977273875266
Energy: 1.2388956277308512
Energy: 1.1747856998472503
Energy: 1.1749086631159116
Energy: 1.175386592936206
Energy: 1.1750425084497276
Energy: 1.177384524087896
Energy: 1.2091562161709215
Energy: 1.1449942409447813
Energy: 1.1449229060530859
Energy: 1.1520260442340247
Energy: 1.1531978387073556
Energy: 1.1610054168730068
Energy: 1.2825184695491811
Energy: 1.1894101886226542
Energy: 1.1890741833090166
Energy: 1.16609894070666
Energy: 1.22076810769469
Energy: 1.1267044127560768
Energy: 1.2429046820269405
Energy: 1.1365317581288856
Energy: 1.1411557211415668
Energy: 1.1315129917136577
Energy: 1.142651135199295
Energy: 1.1461347970642655
Energy: 1.2072512073531902
Energy: 1.1018878923847453
Energy: 1.1490724223382722
Energy: 1.1522001822380374
Energy: 1.1034559336042453
Energy: 1.1550980971818567
Energy: 1.2689643256487793
Energy: 1.1788744900097283
Energy: 1.1795087798728716
Energy: 1.135178736882254
Energy: 1.1835582066960577
Energy: 1.1355945998518562
Energy: 1.2505218932850575
Energy: 1.1382372907334983
Energy: 1.1421310272982144
Energy: 1.1441997265353587
Energy: 1.138460033786396
Energy: 1.1414498919588065
Energy: 1.156144332752549
Energy: 1.1520960355997074
Energy: 1.1514349223686118
Energy: 1.0574475549495441
Energy: 1.1590810113715961
Energy: 1.153043925621649
Energy: 1.2199031671326446
Energy: 1.139519961066356
Energy: 1.1394149924862742
Energy: 1.130140377354815
Energy: 1.1392742322608689
Energy: 1.1439957724248262
Energy: 1.1996351989400067
Energy: 1.204938239344749
Energy: 1.2185736228344137
Energy: 1.1166771759936136
Energy: 1.203984694412011
Energy: 1.2047534111834828
Energy: 1.342190328565115
Energy: 1.193948300223672
Energy: 1.2018745160226423
Energy: 1.2056154487639328
Energy: 1.191555634482465
Energy: 1.203264958473886
Energy: 1.3034543572280977
Energy: 1.0934559379658169
Energy: 1.082505362725198
Energy: 1.2456717159638542
Energy: 1.1751668051148352
Energy: 1.2077164679688663
Energy: 1.424478555983251
Energy: 1.1319890871084355
Energy: 1.1810507246765103
Energy: 1.2368086087990753
Energy: 1.1533342687861827
Energy: 1.127369934059645
Energy: 1.3502528443250672
Energy: 1.2009882974494341
Energy: 1.1940407076468464
Energy: 1.0666543118462732
Energy: 1.189617474834122
Energy: 1.1991329004920865
Energy: 1.3540465863366329
Energy: 1.0498923831436793
Energy: 1.1828136127260882
Energy: 1.1843797606304431
Energy: 1.2362062830195004
Energy: 1.1839626492343527
Energy: 1.2113701317568717
Energy: 0.9817522409437219
Energy: 0.9819536178277222
Energy: 0.9834975109614945
Energy: 0.9838852202768363
Energy: 0.9807643040573023
Energy: 1.207829794581479
Energy: 0.9834819425506951
Energy: 0.9905315866550766
Energy: 0.9832644546643616
Energy: 0.9921100403278189
Energy: 1.1226902751714365
Energy: 1.2101431132981884
Energy: 0.9853242040503671
Energy: 0.9859910872708452
Energy: 1.0036837519236883
Energy: 0.9841126128726192
Energy: 0.9872721590112329
Energy: 1.234326298340136
Energy: 1.1471399757483105
Energy: 1.043446993164781
Energy: 1.0743506136933705
Energy: 1.1347680507119395
Energy: 1.041503611887841
Energy: 1.242358228202709
Energy: 1.1407951845890005
Energy: 1.1410090604955803
Energy: 1.103627120104866
Energy: 1.1406477113239
Energy: 1.173540173109678
Energy: 1.1658567004954088
Energy: 1.0960427504852714
Energy: 1.05234753574759
Energy: 1.0282127867447786
Energy: 1.0589154247047625
Energy: 1.0545515365530642

minimum gb energy = 0.9807643040573023 eV
minimum distance =  2.39276171469811 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.8675980547023932
Energy: 1.068200639765081
Energy: 1.0676902422311187
Energy: 1.0723615364154488
Energy: 1.0653080842303133
Energy: 1.0589820730704824
Energy: 1.2149809923250028
Energy: 0.9153082152691171
Energy: 0.9458543681134136
Energy: 0.9951802994494803
Energy: 0.9164929745717532
Energy: 0.943992557171353
Energy: 1.0298409848358054
Energy: 0.914032456140688
Energy: 0.9212070347042175
Energy: 1.00207498306486
Energy: 0.9147899563166118
Energy: 0.9977070001471497
Energy: 1.0348591913727743
Energy: 0.9209984451081661
Energy: 0.9415620058373085
Energy: 0.9200088933339468
Energy: 0.9148047325400338
Energy: 1.0061497149316747
Energy: 1.0163004287456803
Energy: 0.9971125302021933
Energy: 0.9991881590300027
Energy: 1.000326259201989
Energy: 0.990509230081638
Energy: 0.9981854232879958
Energy: 1.0296468328743271
Energy: 0.9985409314880035
Energy: 0.9973508268460204
Energy: 0.997028488654964
Energy: 0.9901685066861023
Energy: 0.9972941857653856
Energy: 1.0090765551914327
Energy: 0.9933512327492776
Energy: 0.9897866574094503
Energy: 0.9972056212610695
Energy: 0.9931567646182783
Energy: 0.9911476322615107
Energy: 1.177519277616759
Energy: 1.0732966404854354
Energy: 1.070019593095266
Energy: 1.0085832489647426
Energy: 1.077438780390419
Energy: 1.0158844094962085
Energy: 1.0094747615115331
Energy: 1.1185450723213588
Energy: 1.1175445582359658
Energy: 0.9960762617415507
Energy: 1.11978998964925
Energy: 0.9895123388770558
Energy: 1.0307977027620217
Energy: 1.066033823513195
Energy: 1.0638913017531648
Energy: 1.0064837681729715
Energy: 1.0668945659041404
Energy: 1.0578786179757103
Energy: 1.013147174725968
Energy: 1.0354515225840144
Energy: 1.060530093904005
Energy: 0.9990313957350772
Energy: 1.031780555046118
Energy: 1.0057380177601072
Energy: 0.9784113732403912
Energy: 0.9940971034224807
Energy: 0.9949540682129588
Energy: 0.9154569209823035
Energy: 0.9942688307768599
Energy: 0.9980001583447952
Energy: 0.9792439978062298
Energy: 0.9974403647050609
Energy: 0.999350995997713
Energy: 0.9153701698999126
Energy: 1.0029345312908364
Energy: 0.920948826203799
Energy: 1.0496516814868535
Energy: 0.9154824049467495
Energy: 0.9432930447545702
Energy: 0.9148891435955041
Energy: 0.9169549313049716
Energy: 0.9408866655303247
Energy: 1.085790856012595
Energy: 0.9967390167469746
Energy: 1.0000679890613438
Energy: 0.9972805778966295
Energy: 0.9990677334045459
Energy: 1.0003122427540676
Energy: 1.0818653748360634
Energy: 0.989885460590797
Energy: 0.991821909100409
Energy: 0.9846681830307705
Energy: 0.9979902412508495
Energy: 0.9915702657642932
Energy: 1.1295820478393768
Energy: 1.0217757913768917
Energy: 1.003968344064086
Energy: 1.072709912426059
Energy: 1.0154297472258969
Energy: 1.0075529046900802
Energy: 1.2536992951481594
Energy: 0.9880952775175799
Energy: 1.1202394261223567
Energy: 1.1229825917989662
Energy: 0.9912730373443632
Energy: 1.120059724563073
Energy: 1.2143134498509747
Energy: 0.9928989043260553
Energy: 1.065016510689752
Energy: 1.0676146391834362
Energy: 1.0001511022708263
Energy: 1.0554079790426507
Energy: 1.2139259694231996
Energy: 1.0009458868734966
Energy: 1.0634902542594182
Energy: 1.0680261765461525
Energy: 0.9975504174276928
Energy: 1.056171611793106
Energy: 1.011483353603221
Energy: 0.9173248258603492
Energy: 0.9159121327993099
Energy: 0.9893207678200756
Energy: 0.9171662474151385
Energy: 0.9938067872236199
Energy: 1.0298817426452447
Energy: 0.9146707489272237
Energy: 0.9220316099100337
Energy: 1.0040480094101516
Energy: 0.9146643856625556
Energy: 0.9212230858696673
Energy: 1.0333801865139778
Energy: 0.9374548180140783
Energy: 0.9391493155767129
Energy: 0.9177172506956957
Energy: 0.9143723059961321
Energy: 0.9398550069144138
Energy: 1.0290616858682426
Energy: 0.999917962732687
Energy: 0.9998492024509363
Energy: 0.9952237999076391
Energy: 1.0002511084061414
Energy: 1.0002728245492607
Energy: 1.009893585263024
Energy: 0.990260802412651
Energy: 0.9928122390320062
Energy: 0.9991758530250041
Energy: 0.986147088723459
Energy: 0.9941983292367473
Energy: 1.1032065709250058
Energy: 1.1428277390933321
Energy: 1.1262036017336297
Energy: 1.0120164552182265
Energy: 1.1416323783283324
Energy: 1.1257265135888832
Energy: 1.1007920092363175
Energy: 1.1256166656865305
Energy: 1.1244612661260982
Energy: 1.0008124255403206
Energy: 1.1261304015099025
Energy: 1.123776432572389
Energy: 1.0100072593774774
Energy: 1.030998241816823
Energy: 0.9875114717491578
Energy: 0.9969295405704136
Energy: 1.0297038576798119
Energy: 0.994751444809654
Energy: 1.0263030285722203
Energy: 1.0626628300354177
Energy: 1.0736501141066195
Energy: 0.9977163773322749
Energy: 1.06333692174338
Energy: 1.0721032819010383
Energy: 1.04909430497217
Energy: 0.9897267430028993
Energy: 0.9175679384942418
Energy: 0.9181312222849405
Energy: 0.9901243648102409
Energy: 0.9439295548298975
Energy: 0.9804024612557829
Energy: 0.9980797926562017
Energy: 1.009037653855087
Energy: 0.9143282348820201
Energy: 1.003256667282778
Energy: 0.9216014189358618
Energy: 1.0497581654454022
Energy: 0.9163748189521627
Energy: 0.9414190297886452
Energy: 0.9171737413889277
Energy: 0.9163251328128224
Energy: 0.9391754153351621
Energy: 1.08642364301069
Energy: 1.0058740170447174
Energy: 1.000318060060378
Energy: 0.998665098932757
Energy: 1.0042656749641268
Energy: 1.001036972841244
Energy: 1.0855271306924148
Energy: 0.9953499582733611
Energy: 0.9965908514441465
Energy: 0.9931686694502094
Energy: 1.003364870147002
Energy: 0.9984796394810351
Energy: 1.0808292159762383
Energy: 0.9899744632547416
Energy: 0.9893902869625361
Energy: 0.9946604243804531
Energy: 1.010651194339797
Energy: 0.9996139124167125
Energy: 1.1377201978840592
Energy: 1.0152010531718845
Energy: 1.0146011013232388
Energy: 1.0760826917187067
Energy: 1.0127083843805968
Energy: 1.1296975738202693
Energy: 1.2568652566890053
Energy: 0.9900249475667089
Energy: 0.9918577186673118
Energy: 1.1299433963751682
Energy: 0.9979273531506344
Energy: 0.9870089779186398
Energy: 1.3565751560324424
Energy: 0.9969308024237382
Energy: 1.067572526542123
Energy: 1.0737282746349441
Energy: 0.9978771564459145
Energy: 1.0640673506705474

minimum gb energy = 0.914032456140688 eV
minimum distance =  2.39765334537916 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.4494813968297258
Energy: 1.02419787542209
Energy: 0.9828072576526085
Energy: 1.1325162904322172
Energy: 1.044207620694542
Energy: 1.1700778178562423
Energy: 1.03576846984474
Energy: 0.9506221927305866
Energy: 0.9801448337924012
Energy: 1.0453682154290307
Energy: 0.9498549615766686
Energy: 0.98115152634447
Energy: 1.0484384670765257
Energy: 1.009921811683196
Energy: 1.0105054067720285
Energy: 1.0555551892612676
Energy: 1.010606873404403
Energy: 1.048969420534376
Energy: 1.077021544710394
Energy: 1.011186808060417
Energy: 0.9919079852357208
Energy: 1.0567006835792128
Energy: 1.010949006195953
Energy: 1.0437793227127194
Energy: 0.9999848706569948
Energy: 0.9294059769682987
Energy: 0.9295017896770785
Energy: 0.9308612414060138
Energy: 0.929473109829176
Energy: 0.9293548903672209
Energy: 0.9954324090836224
Energy: 0.9292466231683951
Energy: 0.9294073301100537
Energy: 0.9297113503903824
Energy: 0.9296810244475188
Energy: 0.9294364694256119
Energy: 0.9944712003541963
Energy: 0.9302943615371295
Energy: 0.9303633110820348
Energy: 0.9320110385739808
Energy: 0.9315267227264005
Energy: 0.9307513818184926
Energy: 1.107196374277541
Energy: 1.0513105963021665
Energy: 1.0532669670191497
Energy: 1.0105232024345498
Energy: 1.057368880367877
Energy: 1.1001092162240538
Energy: 0.9956127931363937
Energy: 1.0600597600107289
Energy: 1.0486243894542093
Energy: 0.9577486440610822
Energy: 1.0514981618424133
Energy: 1.0518651318242282
Energy: 1.2278947849691177
Energy: 1.073748476197964
Energy: 1.0755046733067253
Energy: 1.0301828738895855
Energy: 1.0645636543850532
Energy: 1.0715773685503338
Energy: 1.0012454714562526
Energy: 1.0409360410263124
Energy: 1.0413631757111181
Energy: 0.9523237137828721
Energy: 1.083597065217235
Energy: 0.9502927249409838
Energy: 1.1466675841673697
Energy: 1.048434314606197
Energy: 1.0482796349123125
Energy: 0.9587556630262274
Energy: 1.0555038272415904
Energy: 1.046173287576616
Energy: 1.1453467836512037
Energy: 1.0542045247278262
Energy: 1.0811453575225998
Energy: 1.0438052820213655
Energy: 1.0549338810717022
Energy: 1.081295230152399
Energy: 0.9983520039817654
Energy: 0.9520756047577146
Energy: 0.9508245832335915
Energy: 0.9508160809585877
Energy: 0.9504921395801939
Energy: 0.9509627850806244
Energy: 0.995865808711587
Energy: 0.952306273112225
Energy: 0.9512477212388845
Energy: 0.9515032792295879
Energy: 0.9311546929191129
Energy: 0.9510116898804125
Energy: 0.9922232131941436
Energy: 0.931206556458789
Energy: 0.9369849881398595
Energy: 0.9575705344314318
Energy: 0.9310102329067007
Energy: 0.951680474347917
Energy: 1.0205190337526255
Energy: 0.991127775088194
Energy: 0.9908124409688991
Energy: 1.0022463511734674
Energy: 0.9574201643289566
Energy: 0.9889610888620967
Energy: 1.0233357806783618
Energy: 0.9964319735944901
Energy: 0.9911201372240614
Energy: 0.9930027248098492
Energy: 0.9968024556122416
Energy: 0.998538906671181
Energy: 1.2181946584984658
Energy: 0.9956706522641939
Energy: 0.9924886912656175
Energy: 1.0851834228225627
Energy: 1.0035351028013861
Energy: 1.0596483117834103
Energy: 1.2039313691159597
Energy: 1.0006587162452862
Energy: 1.0008208319076821
Energy: 1.0843162222016245
Energy: 0.9952122934057651
Energy: 1.051263110016277
Energy: 1.025091364351735
Energy: 0.9946532884137512
Energy: 0.9982554902071433
Energy: 0.9922117141397272
Energy: 0.9697833887243205
Energy: 0.9993349251086581
Energy: 1.0931133443959775
Energy: 1.1139086974057257
Energy: 1.1521775367851534
Energy: 0.9985789422198569
Energy: 1.0305706841291358
Energy: 1.194321673748811
Energy: 1.1625387044966324
Energy: 0.9951325926072994
Energy: 0.9961778333144035
Energy: 0.9836629803735537
Energy: 0.9933705777121608
Energy: 0.9963218727454911
Energy: 1.0684403238473559
Energy: 1.0024336459906853
Energy: 1.0022983960786238
Energy: 0.9704756774266354
Energy: 1.001002261574481
Energy: 1.0028900245663588
Energy: 1.164085788565995
Energy: 1.0020469581221654
Energy: 1.0000191643453793
Energy: 0.9775967432545065
Energy: 0.992119346305768
Energy: 1.0001120020200753
Energy: 1.041401021845927
Energy: 0.9518528501350734
Energy: 0.9519507339374431
Energy: 0.9501495467317346
Energy: 0.9535841365928098
Energy: 0.9516268088707858
Energy: 1.0400078420115657
Energy: 0.9510757662379309
Energy: 0.9509827876444777
Energy: 0.9488833021657055
Energy: 0.9508269425191117
Energy: 0.9505816223295197
Energy: 1.035165317002965
Energy: 0.9508822865451956
Energy: 0.9500039332652839
Energy: 0.9508856016728501
Energy: 0.9509776512242731
Energy: 0.949599326346395
Energy: 1.0744367448302259
Energy: 1.0621804795725318
Energy: 1.0513329670769984
Energy: 1.0937259946316014
Energy: 1.0125457314463073
Energy: 1.0000940140830428
Energy: 1.054790052643106
Energy: 0.9518434425750215
Energy: 0.9511683442424155
Energy: 1.041865429199239
Energy: 0.9506501149621068
Energy: 1.0621989319876322
Energy: 1.2254365243059908
Energy: 0.9966621112450346
Energy: 1.0355695869808974
Energy: 1.1212837936811328
Energy: 0.9957320685450534
Energy: 1.025216822526749

minimum gb energy = 0.9292466231683951 eV
minimum distance =  2.39645605677263 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.3027391995458166
Energy: 1.218626033900302
Energy: 1.1766282401447863
Energy: 0.9559146126035284
Energy: 1.1768157108085573
Energy: 1.1799028662796005
Energy: 0.9523929410318911
Energy: 0.9121922867489346
Energy: 0.9103477396057322
Energy: 0.9092062255611864
Energy: 0.9092754744673369
Energy: 0.909991136588254
Energy: 1.017421619207274
Energy: 0.9180620718279119
Energy: 0.9172370036716989
Energy: 1.0020534615380634
Energy: 0.9185177338421892
Energy: 0.9167203360612145
Energy: 1.074557682378461
Energy: 0.9171869659108742
Energy: 0.916192811300263
Energy: 0.9083750340375281
Energy: 0.9101334068465319
Energy: 0.9107392246694076
Energy: 0.9750245821707547
Energy: 0.9070296418103433
Energy: 0.9073003820437837
Energy: 0.9094831469714103
Energy: 0.907906410561879
Energy: 0.9073649921081036
Energy: 0.9546562210332846
Energy: 0.9069587591859811
Energy: 0.9068619121428151
Energy: 0.9070120246451544
Energy: 0.9072103082087895
Energy: 0.9071443254347626
Energy: 1.1114865423915434
Energy: 0.9096060439914603
Energy: 0.9106854810118682
Energy: 0.9094445830355792
Energy: 0.9094386243050301
Energy: 0.9315719061833296
Energy: 0.9776129982117373
Energy: 1.0063226052431298
Energy: 1.007604315695761
Energy: 0.9231915351952724
Energy: 1.0184125767655061
Energy: 1.0163986764536868
Energy: 1.1102018382267551
Energy: 0.990488081631519
Energy: 0.9924918212068854
Energy: 0.910716654008695
Energy: 0.9946245748913224
Energy: 0.9112938644941144
Energy: 1.3169350891161056
Energy: 1.0244655481062286
Energy: 1.0179801581462735
Energy: 1.1125022993469396
Energy: 1.0212511519635086
Energy: 1.047103148507308
Energy: 1.0170163892029243
Energy: 0.9386663930482221
Energy: 0.9087061415924791
Energy: 0.9923199843477108
Energy: 0.9330894006225753
Energy: 0.9940698271894397
Energy: 0.9501913786604976
Energy: 0.9908400568902119
Energy: 0.9948508522124909
Energy: 0.9118377937079483
Energy: 0.9992693092715561
Energy: 1.0380736212750066
Energy: 0.9482879791732518
Energy: 1.0155589550562478
Energy: 1.1020528470827937
Energy: 1.1073421284575486
Energy: 1.0138660787627303
Energy: 1.1071778387242703
Energy: 1.0174969492553931
Energy: 0.9137015814299092
Energy: 0.9104428948593349
Energy: 0.9949737490070554
Energy: 0.9119090103083012
Energy: 0.9100828569691154
Energy: 1.0403870730473666
Energy: 0.91504103702114
Energy: 0.9126959192555981
Energy: 1.0197986691820913
Energy: 0.9076943938604578
Energy: 0.9143092469369106
Energy: 1.0760365555768077
Energy: 0.9112156276132253
Energy: 0.909435692782884
Energy: 0.9113852458081448
Energy: 0.9098181205710716
Energy: 0.9101979747546298
Energy: 0.9794385889371137
Energy: 0.9070805467055704
Energy: 0.907085605050307
Energy: 0.9075209471242803
Energy: 0.9067903167852206
Energy: 0.9073547418987724
Energy: 0.9786931312456691
Energy: 0.9081120349399867
Energy: 0.9080751194140975
Energy: 0.908196668792308
Energy: 0.9074342064288399
Energy: 0.915223107191674
Energy: 1.1153267218118759
Energy: 1.0155679352147655
Energy: 0.9938605864725703
Energy: 0.9086044808034577
Energy: 1.0003003641085813
Energy: 0.9938436620178581
Energy: 1.1130972589168389
Energy: 1.009011300409899
Energy: 1.0083937578009732
Energy: 0.9096980906114289
Energy: 1.0151198846641771
Energy: 0.9958815406207182
Energy: 1.1058009020239727
Energy: 0.9942115261167975
Energy: 0.9123862849389391
Energy: 0.9084943562910572
Energy: 0.9930632187673503
Energy: 0.9103064745199657
Energy: 1.1432785946067061
Energy: 1.0200674881268095
Energy: 1.0020937375934134
Energy: 1.0793577637937932
Energy: 1.0224071907954122
Energy: 1.086345345311727
Energy: 1.0177383723727453
Energy: 0.9933308223370506
Energy: 0.9154323714601714
Energy: 0.993925215354782
Energy: 0.9936344339607355
Energy: 0.9105166045007654
Energy: 0.9481684468875841
Energy: 1.0167090307403672
Energy: 1.1027106450027735
Energy: 1.107179839272856
Energy: 1.0009450871104515
Energy: 1.1071529203265886

minimum gb energy = 0.9067903167852206 eV
minimum distance =  2.39250460024684 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.3679165859411344
Energy: 1.0940683245677134
Energy: 1.0828934614950967
Energy: 0.8777951594785897
Energy: 1.223719268894936
Energy: 0.8809484146354339
Energy: 1.0422623604304204
Energy: 0.8873351622627133
Energy: 0.8873598841948837
Energy: 1.0682942571289415
Energy: 0.867412458808999
Energy: 0.8882551230815986
Energy: 1.0933153059988296
Energy: 0.8551010801741917
Energy: 0.8532356956833961
Energy: 0.909573127560882
Energy: 0.857078109887445
Energy: 0.8518663093501925
Energy: 1.1090753503831252
Energy: 0.8560670071811387
Energy: 0.8540926879560581
Energy: 1.02863219619302
Energy: 0.8558225916817821
Energy: 0.8897268350905781
Energy: 1.0982515876866357
Energy: 0.8278216879467836
Energy: 0.828073256141135
Energy: 0.8314701438583564
Energy: 0.8281971808541677
Energy: 0.8288695344179552
Energy: 0.9637518881210044
Energy: 0.8364344870202344
Energy: 0.8366351834546143
Energy: 0.8179903014101635
Energy: 0.8366127479662167
Energy: 0.8150985351813175
Energy: 1.006978798072982
Energy: 0.811640005273091
Energy: 0.8090428449433422
Energy: 0.8111802857352691
Energy: 0.8763275576014149
Energy: 0.812542662416096
Energy: 0.9332056792627753
Energy: 0.8091548529677732
Energy: 0.8093692713873448
Energy: 0.8096116418421059
Energy: 0.8102854912004891
Energy: 0.8105116228713842
Energy: 0.8995013714879574
Energy: 0.8089684383102876
Energy: 0.8135850485817848
Energy: 0.8744623648564426
Energy: 0.8094287670852574
Energy: 0.8136720069834529
Energy: 0.9314058349445459
Energy: 0.8372494713846274
Energy: 0.8369507534788251
Energy: 0.8302965659649539
Energy: 0.8374308156324969
Energy: 0.836761876382617
Energy: 1.0029706157178904
Energy: 0.8302008734178886
Energy: 0.8292862625354992
Energy: 0.8285699162520006
Energy: 0.8303802321427545
Energy: 0.8282073088385066
Energy: 1.1004026376023581
Energy: 0.8873863905724152
Energy: 0.8867282494644431
Energy: 0.8417883322212656
Energy: 1.0290186483141348
Energy: 0.8897675563943933
Energy: 1.1024116141672813
Energy: 0.9104263009909614
Energy: 0.9102319662276069
Energy: 0.8432675920365906
Energy: 0.9650556226144311
Energy: 0.9101918910829103
Energy: 1.1391957038206273
Energy: 0.9090145393402027
Energy: 0.8652742661881232
Energy: 1.0628335572305359
Energy: 0.912889085945506
Energy: 0.8649048824617895
Energy: 1.097180211959015
Energy: 0.9785758933151653
Energy: 0.9445773812866881
Energy: 0.9097761390955208
Energy: 1.0099525835861831
Energy: 0.9557403509037006
Energy: 1.1772173320957484
Energy: 0.8895140931375761
Energy: 0.8904763277955611
Energy: 0.9083720374634515
Energy: 0.9175585174721999
Energy: 0.8871876535552942
Energy: 1.1623112509058544
Energy: 0.9097552078773451
Energy: 0.9907832115044176
Energy: 0.8719325632644686
Energy: 0.9098768950989601
Energy: 0.9644840858812201

minimum gb energy = 0.8089684383102876 eV
minimum distance =  2.38278395719343 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.9493873323477887
Energy: 0.9828286004087373
Energy: 0.8663644099322968
Energy: 0.8061052586921316
Energy: 1.0082396332541819
Energy: 0.801455766633203
Energy: 1.0040764448639543
Energy: 0.8001099475287099
Energy: 0.8027706116907413
Energy: 0.8442393679928061
Energy: 0.8436234691682479
Energy: 0.8064541937791263
Energy: 1.2870819197809267
Energy: 0.7519651298308896
Energy: 0.7895221262136424
Energy: 0.8343650154804082
Energy: 0.7525010217533129
Energy: 0.788274429427131
Energy: 1.1075910091602057
Energy: 0.7899937716057592
Energy: 0.7891613546078634
Energy: 0.8362610128516146
Energy: 0.7440665537673345
Energy: 0.7881151208924675
Energy: 0.9902061138611578
Energy: 0.763830469323227
Energy: 0.7645809432676225
Energy: 0.7819268820171829
Energy: 0.7636290640781367
Energy: 0.7652558481993377
Energy: 0.918018645356187
Energy: 0.7629545209527535
Energy: 0.7429845438456927
Energy: 0.7477731460026887
Energy: 0.7625232684857249
Energy: 0.7436182730233993
Energy: 0.9337495550231664
Energy: 0.7674567366130123
Energy: 0.7413582489826527
Energy: 0.7446578527504661
Energy: 0.7668017496461503
Energy: 0.741287291865332
Energy: 0.9257773225229885
Energy: 0.7304204396004466
Energy: 0.7353649145394814
Energy: 0.7416959282474386
Energy: 0.7322878777804739
Energy: 0.7388118004871063
Energy: 0.9522644288167184
Energy: 0.7371999989700149
Energy: 0.7369940798637998
Energy: 0.9527205665193648
Energy: 0.745589246742479
Energy: 0.7444280144248508
Energy: 0.9384938024606531
Energy: 0.7416016252934596
Energy: 0.7415482571743865
Energy: 0.759131980447228
Energy: 0.7413189254471678
Energy: 0.7416122546075762
Energy: 0.8436827209592561
Energy: 0.7373722475108664
Energy: 0.7394726348021681
Energy: 0.738182404377689
Energy: 0.7555148745348155
Energy: 0.7399413663251102
Energy: 0.9415896588991769
Energy: 0.7453976647765174
Energy: 0.7358937409532675
Energy: 0.7467325978550048
Energy: 0.8542805458747444
Energy: 0.7367481951922372
Energy: 0.8890641389984101
Energy: 0.7347208921356952
Energy: 0.7343614473642163
Energy: 0.7372977281976614
Energy: 0.7434839167216851
Energy: 0.7348335049922803
Energy: 0.9761666950273126
Energy: 0.7410824878249338
Energy: 0.740807931248898
Energy: 0.769354108312233
Energy: 0.7434802752288924
Energy: 0.7411491660119635
Energy: 0.9752663522039533
Energy: 0.7523490171242243
Energy: 0.7521592604252187
Energy: 0.7635890989221865
Energy: 0.7515399872300094
Energy: 0.7646748965401637
Energy: 0.973634126251611
Energy: 0.7644022881967074
Energy: 0.7651603077132714
Energy: 0.766013962370725
Energy: 0.8190449983377267
Energy: 0.7653253857135595
Energy: 0.9512604944752243
Energy: 0.8362076992851287
Energy: 0.8424615816762807
Energy: 0.7728805160453068
Energy: 0.8358150729321313
Energy: 0.7711787960224209
Energy: 0.9905153580833435
Energy: 0.8351240949006846
Energy: 0.8356877717086676
Energy: 0.7694549450927032
Energy: 0.8349676723940476
Energy: 0.7708560498164443
Energy: 1.1117529537680715
Energy: 0.8441834214096231
Energy: 0.806588971472261
Energy: 0.8367623176390511
Energy: 0.7694532727395758
Energy: 0.7996003304095866
Energy: 1.188974743261881
Energy: 0.8032914440934458
Energy: 0.8027294512040991
Energy: 0.8351032769305495
Energy: 0.8044369254467866
Energy: 0.8799667093564513
Energy: 1.1175364918614568
Energy: 0.8446914077296388
Energy: 0.8064642432835782
Energy: 0.848135688713774
Energy: 0.8452625845860118
Energy: 0.8058015971412656
Energy: 0.9500844424571575
Energy: 0.8746115917741755
Energy: 0.8866546836886191
Energy: 0.8006443859516513
Energy: 0.8801880374116434
Energy: 0.7985688598956517
Energy: 1.0828435353167938
Energy: 0.8376129201375337
Energy: 0.8024908012025349
Energy: 0.8004279679227576
Energy: 0.8364379030256035
Energy: 0.8173531239431981
Energy: 1.1153853801897236
Energy: 0.775814092018993
Energy: 0.801375884323121
Energy: 0.835082922260263
Energy: 0.7581312484941077
Energy: 0.8366291696556576
Energy: 1.0927648461469883
Energy: 0.752261048039564
Energy: 0.7894806926594539
Energy: 0.8357914119772606
Energy: 0.7532970191094437
Energy: 0.7886576102560385
Energy: 1.0965855071986883
Energy: 0.7712883687379173
Energy: 0.771285256094785
Energy: 0.8003513414872225
Energy: 0.771784517912427
Energy: 0.7650427716139027
Energy: 0.9188920402013553
Energy: 0.7642276945343056
Energy: 0.7644239851582489
Energy: 0.7470237159293505
Energy: 0.7646512264606701
Energy: 0.7709532747698531
Energy: 0.937659917890248
Energy: 0.7644537271719696
Energy: 0.7765003026159675
Energy: 0.7804963600147529
Energy: 0.7640929483038985
Energy: 0.7674345103912631
Energy: 0.9227732741411241
Energy: 0.737386477438459
Energy: 0.7371181358983971
Energy: 0.7372626356510522
Energy: 0.7374038205359387
Energy: 0.7366081992820167
Energy: 0.9434062789066098
Energy: 0.7305655806482663
Energy: 0.735639899356755
Energy: 0.8495264180847487
Energy: 0.7316791914267844
Energy: 0.7344534739268616
Energy: 0.9468451416154816
Energy: 0.7336942726604363
Energy: 0.7349124663081598
Energy: 0.9478744703686263
Energy: 0.7334083130326149
Energy: 0.7350046133046603
Energy: 0.8476787112809144
Energy: 0.734750879704452
Energy: 0.7351013292873468
Energy: 0.738727005544427
Energy: 0.7353679322913326
Energy: 0.7366367517923142
Energy: 0.9424352914846289
Energy: 0.8558769592910246
Energy: 0.8523026679853767
Energy: 0.7337169148146874
Energy: 0.8543362060855719
Energy: 0.8478073978169359
Energy: 0.8874682491484445
Energy: 0.7410975399579579
Energy: 0.7411029925824594
Energy: 0.7393141549141341
Energy: 0.7451545402511464
Energy: 0.7411811275959654
Energy: 0.9766974859880657
Energy: 0.7402966566909772
Energy: 0.7418661063475521
Energy: 0.8724367912856591
Energy: 0.7394645685587979
Energy: 0.7402278878736912
Energy: 0.9752208510170071
Energy: 0.7423787829231644
Energy: 0.7647208274935491
Energy: 0.7635725547082707
Energy: 0.7428535482570069
Energy: 0.7636249553296046
Energy: 0.8782201900451936
Energy: 0.7655526233773075
Energy: 0.7643662657892738
Energy: 0.7626715850042786
Energy: 0.7657147204154237
Energy: 0.763421500278919
Energy: 0.9439948378315067
Energy: 0.8359647665106615
Energy: 0.8025559818573554
Energy: 0.7642056000045295
Energy: 0.8358184866956089
Energy: 0.7729200857496088
Energy: 0.9334529837807671
Energy: 0.8360334745013175
Energy: 0.8037964002368893
Energy: 0.7742482254838168
Energy: 0.8346550492657634
Energy: 0.8029675232500608
Energy: 1.1068888289106003
Energy: 0.8468755360770986
Energy: 0.8356428368419195
Energy: 0.7714330953515166
Energy: 0.8470520077538158
Energy: 0.8059948278070681
Energy: 1.216261347677189
Energy: 0.7817686560553103
Energy: 0.8830457756753968
Energy: 0.8806477479848792
Energy: 0.7822500041071909
Energy: 0.876553377284203
Energy: 1.1983774374463707
Energy: 0.8299533957504716
Energy: 0.8088569196380601
Energy: 0.8344237665087426
Energy: 0.7871476916335028
Energy: 0.8362451004192369
Energy: 1.083076192510695
Energy: 0.8345105598082279
Energy: 0.8353481941279557
Energy: 0.8398983496935007
Energy: 0.8340207009357347
Energy: 0.8597388787597043

minimum gb energy = 0.7304204396004466 eV
minimum distance =  2.38578168688282 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.8697528133388497
Energy: 0.8860880533967785
Energy: 0.7953049333243862
Energy: 0.6983602593839949
Energy: 1.0059932676960452
Energy: 0.7959257895051686
Energy: 0.9686435692436305
Energy: 0.7166247730046676
Energy: 0.7163750045464696
Energy: 0.7734017961292591
Energy: 0.7783449784074261
Energy: 0.7446873024840719
Energy: 1.2204104139953964
Energy: 0.6922438273050778
Energy: 0.6919978261483706
Energy: 0.766090385561296
Energy: 0.6919570035804931
Energy: 0.7277838598795078
Energy: 1.0300700509953242
Energy: 0.6916881716636574
Energy: 0.7283653025434333
Energy: 0.7682650081820976
Energy: 0.6892824826320212
Energy: 0.7274740811289742
Energy: 0.9208437460985162
Energy: 0.7184069650702544
Energy: 0.7177791432664947
Energy: 0.7193279251738086
Energy: 0.7187530885579431
Energy: 0.7069515864332051
Energy: 0.8568759527308539
Energy: 0.704982268130114
Energy: 0.6873908687435469
Energy: 0.6777823105797015
Energy: 0.7046963223445893
Energy: 0.6887858644237865
Energy: 0.8794145059113896
Energy: 0.7184339072936712
Energy: 0.7098796127573711
Energy: 0.6814907708482787
Energy: 0.7161052776063426
Energy: 0.6809151277249645
Energy: 0.8799476949110373
Energy: 0.6704077121364471
Energy: 0.6710499893566607
Energy: 0.6874190780116598
Energy: 0.6694924665788957
Energy: 0.6764502630979686
Energy: 0.8828183895941853
Energy: 0.6813849240906715
Energy: 0.6782409306257631
Energy: 0.7853050268031931
Energy: 0.6748932905669017
Energy: 0.6891723824532215
Energy: 0.8851701686461014
Energy: 0.6693948914768958
Energy: 0.6694899326501605
Energy: 0.7715329138757853
Energy: 0.6695745856533929
Energy: 0.6693693896185064
Energy: 0.8665986222551821
Energy: 0.6636408208236005
Energy: 0.6631389921210172
Energy: 0.6643951913136869
Energy: 0.6651146066679269
Energy: 0.663435473679755
Energy: 0.8827127611652882
Energy: 0.8401291001876545
Energy: 0.673183329651171
Energy: 0.6705423109064022
Energy: 0.8668136917447636
Energy: 0.6736290399693035
Energy: 0.8680926526140434
Energy: 0.7809191654799086
Energy: 0.7794537043625502
Energy: 0.6648235318115586
Energy: 0.7802780893715874
Energy: 0.6775288648980511
Energy: 0.8625692642387699
Energy: 0.6698690012526487
Energy: 0.6700105792757751
Energy: 0.8637755076493979
Energy: 0.6692510185024982
Energy: 0.8446160238400828
Energy: 0.8619656383738514
Energy: 0.6659598893066775
Energy: 0.6641850212602899
Energy: 0.7342630051318055
Energy: 0.6657522116829167
Energy: 0.6632422507580946
Energy: 0.8969493265141543
Energy: 0.7353296509135795
Energy: 0.673681691846848
Energy: 0.6667560411686198
Energy: 0.6787775781112955
Energy: 0.6744818244545564
Energy: 0.8638079218482132
Energy: 0.675140504023116
Energy: 0.676211897745355
Energy: 0.6669660828734775
Energy: 0.6871813131330335
Energy: 0.6770674828089509
Energy: 0.845639496514507
Energy: 0.6764630371343452
Energy: 0.6768404944303591
Energy: 0.7099352929994858
Energy: 0.676552510075486
Energy: 0.6775849121521603
Energy: 0.9220334096403197
Energy: 0.6825191222603242
Energy: 0.6822318652685401
Energy: 0.7186589347593394
Energy: 0.6891972404652181
Energy: 0.7171478210633998
Energy: 0.9233078998436641
Energy: 0.7591577139229875
Energy: 0.6862469330290669
Energy: 0.7146564091539267
Energy: 0.678318588064329
Energy: 0.7167778769374061
Energy: 1.043855380660641
Energy: 0.7161493867196378
Energy: 0.71381084709511
Energy: 0.7151111043092195
Energy: 0.7155843814853257
Energy: 0.7147629522845872
Energy: 0.8629373648951374
Energy: 0.7679002631406592
Energy: 0.7098997017857204
Energy: 0.684083317560514
Energy: 0.7673112517224364
Energy: 0.7107823525464977
Energy: 0.9380236395199364
Energy: 0.7647392276218717
Energy: 0.7647180692382612
Energy: 0.7280681084783732
Energy: 0.7670372747651034
Energy: 0.7669936672036478
Energy: 1.1283122801459926
Energy: 0.7155424630901114
Energy: 0.7053874051885493
Energy: 0.7204422847747587
Energy: 0.7228035669569168
Energy: 0.7064057167432419
Energy: 1.1991421376628766
Energy: 0.7204426183228637
Energy: 0.7387446927872464
Energy: 0.7891859303707937
Energy: 0.7179041641197547
Energy: 0.8150300503584383
Energy: 1.228019634447786
Energy: 0.7759355365856019
Energy: 0.7097968230453248
Energy: 0.7757572556588244
Energy: 0.7752894746471226
Energy: 0.7453932333648352
Energy: 0.8675550018703937
Energy: 0.7889211047696203
Energy: 0.7617871954509274
Energy: 0.6980922036002735
Energy: 0.7887580588873822
Energy: 0.7617286062667437

minimum gb energy = 0.6631389921210172 eV
minimum distance =  2.3953596856105 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.7247992410580961
Energy: 0.7440616036161483
Energy: 0.6953150478476698
Energy: 0.597885445382468
Energy: 0.776011912793552
Energy: 0.665984257909256
Energy: 0.9633756819343625
Energy: 0.5739840680174204
Energy: 0.5745946169155806
Energy: 0.6168928011345836
Energy: 0.573455300032593
Energy: 0.5756733576108841
Energy: 1.0164323065979708
Energy: 0.5745522617288312
Energy: 0.5843883330867968
Energy: 0.6132839140474963
Energy: 0.5739892268364105
Energy: 0.5838962561599604
Energy: 0.888940711414018
Energy: 0.5842130098057329
Energy: 0.5842722829360669
Energy: 0.5736431013490537
Energy: 0.7058460316504435
Energy: 0.5978049046446141
Energy: 0.7973625907808803
Energy: 0.573986041988307
Energy: 0.5740431851089691
Energy: 0.5792702539434287
Energy: 0.5736656767235465
Energy: 0.5755579033956066
Energy: 0.7071374873322706
Energy: 0.5755950336620524
Energy: 0.5692842586042663
Energy: 0.6319757725306987
Energy: 0.5744874823024503
Energy: 0.5637701463365883
Energy: 0.8867226566947215
Energy: 0.5755053860438283
Energy: 0.5747259213022419
Energy: 0.558417320087821
Energy: 0.5739588021568945
Energy: 0.5568553890156709
Energy: 0.8853659103208177
Energy: 0.5517723060594971
Energy: 0.5523148997905795
Energy: 0.6553648850018524
Energy: 0.5518739118783119
Energy: 0.5990743846479555
Energy: 0.7534799369553687
Energy: 0.5579041862317192
Energy: 0.5575332452526334
Energy: 0.6276930837051284
Energy: 0.5624321024173902
Energy: 0.6270060712896797
Energy: 0.7353537512817256
Energy: 0.5495954006089514
Energy: 0.549185392144733
Energy: 0.5566396727042376
Energy: 0.5495909802375422
Energy: 0.5479850670476472
Energy: 0.7022728325347529
Energy: 0.5859362306858976
Energy: 0.5428226954193103
Energy: 0.5462925246039018
Energy: 0.5883406912974376
Energy: 0.5424419605985035
Energy: 0.7533393178717169
Energy: 0.6799803328529975
Energy: 0.544319091195856
Energy: 0.547057259436239
Energy: 0.6785592634149159
Energy: 0.5464255668193458
Energy: 0.7542147527816617
Energy: 0.6148020919029756
Energy: 0.6194121361160364
Energy: 0.5489518619006755
Energy: 0.6099558955696699
Energy: 0.6162450790827261
Energy: 0.7113265057947485
Energy: 0.603612552997668
Energy: 0.662660056493025
Energy: 0.6655006687454315
Energy: 0.6103172287450074
Energy: 0.6680648513012438
Energy: 0.7108332868325842
Energy: 0.543430304232092
Energy: 0.5434476361652146
Energy: 0.6635431596597675
Energy: 0.5434077651742174
Energy: 0.5402591068667654
Energy: 0.7056013783006191
Energy: 0.6453156648319635
Energy: 0.5372499335388151
Energy: 0.5384921607000814
Energy: 0.6755975719200963
Energy: 0.5368526645199743
Energy: 0.7151201791565642
Energy: 0.6655322749018913
Energy: 0.580858792504171
Energy: 0.5428177338688853
Energy: 0.6609054347514679
Energy: 0.5411130071557244
Energy: 0.7047194048952302
Energy: 0.6078787452451365
Energy: 0.5435127007656362
Energy: 0.5796304156286185
Energy: 0.6032786199064365
Energy: 0.5427682622668253
Energy: 0.7032936857292885
Energy: 0.6053529779472099
Energy: 0.6555210436125757
Energy: 0.6583787602211518
Energy: 0.6044386040253934
Energy: 0.6589930281922115
Energy: 0.7037745919561228
Energy: 0.6052027902538539
Energy: 0.5509661707192753
Energy: 0.5514306757844313
Energy: 0.6056302288661276
Energy: 0.5509013337050885
Energy: 0.7301670121172492
Energy: 0.5778884561584978
Energy: 0.5504265902422012
Energy: 0.5470170863878551
Energy: 0.6699739634715023
Energy: 0.5465549314604008
Energy: 0.7058779186336603
Energy: 0.6177393936526164
Energy: 0.5374348050207172
Energy: 0.5397759901756426
Energy: 0.6750225297624198
Energy: 0.5375855612406467
Energy: 0.72642937626428
Energy: 0.5441526470825904
Energy: 0.5443777650224352
Energy: 0.6125196512163396
Energy: 0.5388469909888056
Energy: 0.5443940074973063
Energy: 0.7267918136970034
Energy: 0.6152343656053185
Energy: 0.6783470968435553
Energy: 0.6119190481200885
Energy: 0.5520212461353434
Energy: 0.6797111700666637
Energy: 0.7923211725870941
Energy: 0.6181695263736596
Energy: 0.6275400857411955
Energy: 0.5472223161802948
Energy: 0.6180232111608581
Energy: 0.6282569084893944
Energy: 0.7936580874558492
Energy: 0.6298331319319959
Energy: 0.5581539831467263
Energy: 0.5439652846394304
Energy: 0.6265619194725566
Energy: 0.5432384604304459
Energy: 0.705071364653531
Energy: 0.5541307676918549
Energy: 0.5545779628607094
Energy: 0.5529681620386393
Energy: 0.5566868977661881
Energy: 0.5524464610183638
Energy: 0.7755549618400304
Energy: 0.5544933380049043
Energy: 0.5550405962868233
Energy: 0.5760720214483419
Energy: 0.5541467079922837
Energy: 0.5553922140511104
Energy: 0.7925903047171731
Energy: 0.5693882186165937
Energy: 0.5734579064553494
Energy: 0.5726573714969226
Energy: 0.5702357878109424
Energy: 0.5733627543930269
Energy: 0.9646219744139732
Energy: 0.5640243293534272
Energy: 0.5684661495059884
Energy: 0.6269996345950419
Energy: 0.5625777801297611
Energy: 0.6105454302545661
Energy: 0.9604238859503661
Energy: 0.577994650718096
Energy: 0.5808557741919245
Energy: 0.578076398027145
Energy: 0.5755912070887887
Energy: 0.5733943627821182
Energy: 0.7150664890636712
Energy: 0.61290268609821
Energy: 0.5919180422786474
Energy: 0.61068053049366
Energy: 0.6127125923571793
Energy: 0.6279467265183696
Energy: 0.8129854590567976
Energy: 0.6170383098169498
Energy: 0.6173431619247112
Energy: 0.5961220825237612
Energy: 0.6102930767142849
Energy: 0.6144674498037627
Energy: 0.9653811677778504
Energy: 0.6084632614698084
Energy: 0.608601475433965
Energy: 0.6030091572271201
Energy: 0.7273415020724465
Energy: 0.6340828232194593
Energy: 1.015597828270398
Energy: 0.5930438447544588
Energy: 0.6091559160346884
Energy: 0.650094877197623
Energy: 0.6588750718752171
Energy: 0.6092519929072931
Energy: 0.963375681260139
Energy: 0.6178448555493107
Energy: 0.6174129268425895
Energy: 0.6172057341000712
Energy: 0.617620781518895
Energy: 0.5752351230603181

minimum gb energy = 0.5368526645199743 eV
minimum distance =  2.41296606230756 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.014920168599807332
Energy: 0.8601788976958576
Energy: 0.015903459074306812
Energy: 0.017853145298582947
Energy: 0.018874665313603944
Energy: 0.01580666561842729
Energy: 0.0583088764189952
Energy: 0.015863680298578976
Energy: 0.015945250684551285
Energy: 0.05675825523638562
Energy: 0.017720414492513725
Energy: 0.015955873735402182
Energy: 0.05625083632564212
Energy: 0.015725917792870112
Energy: 0.016347844219224836
Energy: 0.056807402154749845
Energy: 0.015999871710477558
Energy: 0.05732151295306543
Energy: 0.017984624337515062
Energy: 0.01565550873086945
Energy: 0.015925637175998816
Energy: 0.018065288797229715
Energy: 0.015710494430643755
Energy: 0.05782024324677015
Energy: 0.057241922345554676
Energy: 0.056512199142837706
Energy: 0.056363240754699236
Energy: 0.05845407715972809
Energy: 0.05643295275375514
Energy: 0.0570526769700803
Energy: 0.01637288250638478
Energy: 0.016015765230308614
Energy: 0.015633822347467335
Energy: 0.0182738437578089
Energy: 0.016035481813649603
Energy: 0.016001922132481715
Energy: 0.05692288507083112
Energy: 0.015953281526912517
Energy: 0.01604317069272237
Energy: 0.05701622601384329
Energy: 0.019010610757097795
Energy: 0.01608653913228956
Energy: 0.05643669932088911
Energy: 0.015729813759608156
Energy: 0.015922373546429867
Energy: 0.05636985099579557
Energy: 0.015577618000433443
Energy: 0.05867562944868191
Energy: 0.017790700818661857
Energy: 0.015875199690828415
Energy: 0.05996804379639069
Energy: 0.019073968809340158
Energy: 0.01582592135720665
Energy: 0.05951516132221529
Energy: 0.016167929279638893
Energy: 0.05649103087838886
Energy: 0.05633678909554265
Energy: 0.01548225463018641
Energy: 0.05626633199125876
Energy: 0.05649174554357394

minimum gb energy = 0.014920168599807332 eV
minimum distance =  2.52761676612289 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.6913558852035733
Energy: 0.7193519113373158
Energy: 0.6834244803770316
Energy: 0.6369352332505079
Energy: 0.6895822331023924
Energy: 0.6439383391584345
Energy: 0.7331497552090049
Energy: 0.6973534528753702
Energy: 0.6955851901542925
Energy: 0.6997313276255308
Energy: 0.70708916190484
Energy: 0.6941986123577273
Energy: 0.7379403416232548
Energy: 0.6541870187958243
Energy: 0.6546906388145416
Energy: 0.7057190792191698
Energy: 0.655081268086564
Energy: 0.6801253460008098
Energy: 0.8098735565652828
Energy: 0.6547915737623227
Energy: 0.6554440090320499
Energy: 0.7897648793371578
Energy: 0.6586083076205717
Energy: 0.6810631034140013
Energy: 0.6751524483479974
Energy: 0.6988481532667115
Energy: 0.6956580397580516
Energy: 0.6755012705241252
Energy: 0.7051176666997047
Energy: 0.6946547600047412
Energy: 0.6620830107614283
Energy: 0.6994616030448144
Energy: 0.6752095939143645
Energy: 0.6173722687154715
Energy: 0.699279267445165
Energy: 0.6433996906208462
Energy: 0.7199371495451906
Energy: 0.7066735196578703
Energy: 0.7030734192614703
Energy: 0.7032435775736742
Energy: 0.7071164548256451
Energy: 0.6973327114962907
Energy: 0.7176230809867961
Energy: 0.6610667065177851
Energy: 0.6617219731599707
Energy: 0.7045983024721563
Energy: 0.6312461089801519
Energy: 0.6626190444724631
Energy: 0.70926709115273
Energy: 0.6634045453929627
Energy: 0.6854685231818891
Energy: 0.7036019606922993
Energy: 0.6836663709796392
Energy: 0.6992620933762236
Energy: 0.6992831715846203
Energy: 0.6801427407236846
Energy: 0.6737075984254289
Energy: 0.6991164274202829
Energy: 0.6869658153886766
Energy: 0.6799759910009284
Energy: 0.6742757387686443
Energy: 0.6747558704043128
Energy: 0.6754308136649174
Energy: 0.6129534057124406
Energy: 0.6887658045171592
Energy: 0.6466069429423836
Energy: 0.6464713804626315
Energy: 0.6860059504745822
Energy: 0.6873705166529571
Energy: 0.646333313613727
Energy: 0.6853104498056181
Energy: 0.6441387148247694
Energy: 0.6441921087981161
Energy: 0.6358248657821494
Energy: 0.6585938424158285
Energy: 0.6441060347346336
Energy: 0.6001920934736258
Energy: 0.6594278934436321
Energy: 0.677751963412688
Energy: 0.6608628195613864
Energy: 0.6596373081665811
Energy: 0.6502790600212138
Energy: 0.6402207488933913
Energy: 0.664435645993167
Energy: 0.6764477604235613
Energy: 0.6180252086590934
Energy: 0.6176659173860005
Energy: 0.6762860424245336
Energy: 0.6280739843183405
Energy: 0.6184552626440415
Energy: 0.6750788630654446
Energy: 0.6453265637087514
Energy: 0.6519285887482863
Energy: 0.646787327310547
Energy: 0.6738211495782589
Energy: 0.6527004762767697
Energy: 0.6063293888281152
Energy: 0.6528826378115888
Energy: 0.6508792120676279
Energy: 0.6061592936910575
Energy: 0.6458956492421974
Energy: 0.6063216265194482
Energy: 0.6062183526439627
Energy: 0.642713258982246
Energy: 0.6430122857046027
Energy: 0.6063364029809172
Energy: 0.6088660003509455
Energy: 0.6433368690673928
Energy: 0.6678624048999819
Energy: 0.6700662826093355
Energy: 0.6419144954504025
Energy: 0.6118128407589729
Energy: 0.6738186781765747
Energy: 0.6426618345348339
Energy: 0.6757087093063778
Energy: 0.6058329100729474
Energy: 0.6052859798713865
Energy: 0.6771216565150561
Energy: 0.615054626927168
Energy: 0.6058537991425295
Energy: 0.6748540774431733
Energy: 0.6447430779440051
Energy: 0.6523856532729563
Energy: 0.6734257483172463
Energy: 0.6481300721252349
Energy: 0.6501235098549975
Energy: 0.6199657635047948
Energy: 0.6446294506761795
Energy: 0.6522154973836399
Energy: 0.6193599000544822
Energy: 0.6468808348597155
Energy: 0.6190910206455892
Energy: 0.6202660857152763
Energy: 0.6623540563832234
Energy: 0.6621519091534154
Energy: 0.6204840359225344
Energy: 0.6611837374344836
Energy: 0.6611855768625063
Energy: 0.6757293534507336
Energy: 0.64643675271649
Energy: 0.6605581960367636
Energy: 0.6386486094216498
Energy: 0.6521780367339731
Energy: 0.6466969415205313
Energy: 0.6971800079456334
Energy: 0.6433435970016012
Energy: 0.6428581659792669
Energy: 0.697855159822372
Energy: 0.6448768760331552
Energy: 0.6515171131658443
Energy: 0.6947970631074284
Energy: 0.6598201007633864
Energy: 0.6605422517619766
Energy: 0.6956064115179834
Energy: 0.6331552531491744
Energy: 0.6764675742857258
Energy: 0.6851207928070814
Energy: 0.6601887678755186
Energy: 0.6608628901496924
Energy: 0.6804077219562544
Energy: 0.6921158748930643
Energy: 0.6802748633719278
Energy: 0.653659276355573
Energy: 0.6991423295930042
Energy: 0.6993247514294508
Energy: 0.6540488894610804
Energy: 0.6985391133864624
Energy: 0.6989086953553679
Energy: 0.6714758038884768
Energy: 0.6977295815705045
Energy: 0.681360633079796
Energy: 0.6130521105118153
Energy: 0.7035344619170493
Energy: 0.6469512379219313
Energy: 0.6966390243549004
Energy: 0.7001067654518077
Energy: 0.6965846464147002
Energy: 0.6951112420762502
Energy: 0.7024188188304912
Energy: 0.6981732868954149
Energy: 0.699615798067763
Energy: 0.6606379122404754
Energy: 0.6606436991557944
Energy: 0.7001239464097283
Energy: 0.6283754161302043
Energy: 0.6608773692880878
Energy: 0.7388200730444411
Energy: 0.6635277793611484
Energy: 0.6946202372429022
Energy: 0.6986689990054697
Energy: 0.6759028515221823
Energy: 0.6960502440302064
Energy: 0.6624782563290359
Energy: 0.7003061700709937
Energy: 0.6988824069753433
Energy: 0.6630873923519599
Energy: 0.700339698895495
Energy: 0.687531428301113

minimum gb energy = 0.6001920934736258 eV
minimum distance =  2.33153608248672 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.8698562366071106
Energy: 0.8618020035971301
Energy: 0.8605233791333672
Energy: 0.8196578055034286
Energy: 0.8496706218391095
Energy: 0.8606286940001671
Energy: 0.894206867263852
Energy: 0.8605020783579718
Energy: 0.8585022699063692
Energy: 0.856676998514624
Energy: 0.8568681828969714
Energy: 0.8393308503409815
Energy: 0.9320280595558066
Energy: 0.8216331860744878
Energy: 0.8283517349332362
Energy: 0.8508596597540669
Energy: 0.8227513429073329
Energy: 0.8284040065902526
Energy: 0.8726607101445097
Energy: 0.8298489031132367
Energy: 0.8291636569396278
Energy: 0.8545637853632514
Energy: 0.8275788736066323
Energy: 0.8302794516282288
Energy: 0.8725505618391204
Energy: 0.8569085018338237
Energy: 0.8587309143570474
Energy: 0.8510767287009423
Energy: 0.8561921570354316
Energy: 0.842066173846234
Energy: 0.8239703958643257
Energy: 0.8404704988936522
Energy: 0.8325446383585517
Energy: 0.830258970008808
Energy: 0.8395387016203759
Energy: 0.8321485873702801
Energy: 0.8805899811943584
Energy: 0.8573370339905606
Energy: 0.8599662153754905
Energy: 0.8581343260041153
Energy: 0.8577958332705594
Energy: 0.8474352088191403
Energy: 0.877329308978595
Energy: 0.8276720789011657
Energy: 0.8360979329131903
Energy: 0.8543812153381677
Energy: 0.8185828805771628
Energy: 0.8454547568054094
Energy: 0.8589839366671781
Energy: 0.8455892768475816
Energy: 0.8578244827268618
Energy: 0.8544092605840469
Energy: 0.8577230102740439
Energy: 0.8563926869694972
Energy: 0.8571572401039361
Energy: 0.8378952336437767
Energy: 0.8447703243335405
Energy: 0.857317987299522
Energy: 0.847912276251578
Energy: 0.8486467372774227
Energy: 0.8461272585920758
Energy: 0.8418332043803748
Energy: 0.8416508995056339
Energy: 0.8235728946867585
Energy: 0.8486020325484477
Energy: 0.8365539541662059
Energy: 0.8296870787211149
Energy: 0.8415234560172216
Energy: 0.8416344707402361
Energy: 0.8193593340089537
Energy: 0.8385170579051154
Energy: 0.8246961522052266
Energy: 0.8183638151986902
Energy: 0.8303675094529523
Energy: 0.8353492917769145
Energy: 0.8188292095102978
Energy: 0.824234093774853
Energy: 0.8256531343433525
Energy: 0.844847115186788
Energy: 0.8362276872596645
Energy: 0.8347075256612726
Energy: 0.823076679038504
Energy: 0.8497796466928591
Energy: 0.8343335954457213
Energy: 0.8490704704524739
Energy: 0.8279735008802291
Energy: 0.8329567551128042
Energy: 0.8495649513907719
Energy: 0.8249804456504685
Energy: 0.8384321706097013
Energy: 0.8491207922144237
Energy: 0.8435416392306001
Energy: 0.8415986678371851
Energy: 0.8409701756378071
Energy: 0.8557893598763673
Energy: 0.8404765812917592
Energy: 0.8428959297588648
Energy: 0.8318410464813144
Energy: 0.8324020095503412
Energy: 0.8417001047274832
Energy: 0.8159643575905732
Energy: 0.8406683256449311
Energy: 0.8429313819391621
Energy: 0.8563629043963651
Energy: 0.8573713522030293
Energy: 0.8432044898379261
Energy: 0.8575667611654413
Energy: 0.850065553530563
Energy: 0.8290966378388521
Energy: 0.8485097923553134
Energy: 0.8366277468969227
Energy: 0.8258424224654708
Energy: 0.8493789977538514
Energy: 0.8369875801748003
Energy: 0.852181240723901
Energy: 0.8535528889314208
Energy: 0.8576426172601712
Energy: 0.8528381862241279
Energy: 0.8634968789116032
Energy: 0.8590442104569813
Energy: 0.8515807895012113
Energy: 0.8440727614884903
Energy: 0.8424382597338789
Energy: 0.8516263691748908
Energy: 0.8290107725000765
Energy: 0.8566120404754509
Energy: 0.9329153951890244
Energy: 0.8253680110332525
Energy: 0.8422396305275794
Energy: 0.8502127576956924
Energy: 0.826401679804536
Energy: 0.8566320323268268
Energy: 0.8939198032974115
Energy: 0.8609546518889585
Energy: 0.8628397033256902
Energy: 0.8445349964324282
Energy: 0.856343820238604
Energy: 0.8511369307626051

minimum gb energy = 0.8159643575905732 eV
minimum distance =  2.34069754846524 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.031338443273921
Energy: 1.0234991597497722
Energy: 1.0102784041505934
Energy: 0.9691916523216575
Energy: 1.0239995458609674
Energy: 1.0059199350025148
Energy: 1.0637940261043957
Energy: 1.0102038270728895
Energy: 1.0026169646204954
Energy: 0.9914298860006202
Energy: 1.0106169779691154
Energy: 1.0012767358802623
Energy: 1.1072929674971912
Energy: 0.9809345337874986
Energy: 0.979673092995447
Energy: 1.0031323337796585
Energy: 0.9814629012050339
Energy: 0.9789225601194493
Energy: 1.043870811199652
Energy: 0.9809074429816096
Energy: 0.9786511938391134
Energy: 1.0035466270863453
Energy: 0.9793465051049536
Energy: 0.9788439835649181
Energy: 0.9870832094475674
Energy: 1.0100927470902061
Energy: 1.0033039447610468
Energy: 0.9842602543016924
Energy: 1.0072778443988126
Energy: 1.0010244608653922
Energy: 0.9717493245626818
Energy: 0.9982647004292011
Energy: 1.0011925246721631
Energy: 0.976125552512829
Energy: 0.9955086724121265
Energy: 0.9785635766752896
Energy: 1.0457647310682787
Energy: 1.0033628145345912
Energy: 1.0023101494873814
Energy: 0.993437535744871
Energy: 1.0028619005793775
Energy: 0.9972668641207589
Energy: 1.044914557523686
Energy: 0.9888987966517225
Energy: 0.9988001276367978
Energy: 0.9988189226990359
Energy: 0.9923219225460196
Energy: 0.997886307382549
Energy: 0.9968540660307126
Energy: 0.9970747902594432
Energy: 1.0023386345183436
Energy: 0.9971768018305336
Energy: 0.9998033589216285
Energy: 0.9992741195332332
Energy: 0.9973197266769069
Energy: 0.9911097845794015
Energy: 0.990877280221635
Energy: 0.9988954933822122
Energy: 0.9946351127544901
Energy: 0.9934009256075251
Energy: 0.9947950249634844
Energy: 0.9886938085993737
Energy: 0.9877574700082482
Energy: 0.9940162054523282
Energy: 0.9987759040706641
Energy: 0.9873009215095633
Energy: 1.0037041422398891
Energy: 0.9927804421560358
Energy: 0.9871937015338421
Energy: 0.9967968038199118
Energy: 0.9775811634145922
Energy: 0.988214271958824
Energy: 1.00151440393187
Energy: 0.9988329024328186
Energy: 0.9971562739602358
Energy: 0.9959723664569926
Energy: 0.9980054317495732
Energy: 0.9893727283874292
Energy: 0.983847736490614
Energy: 0.9974406873649474
Energy: 0.9976931956159155
Energy: 0.986454273353977
Energy: 0.9964939409091489
Energy: 0.9756749835829601
Energy: 0.9977645014545413
Energy: 1.0001892850465637
Energy: 0.9995707716402003
Energy: 0.9991362563061834
Energy: 0.9943761048969767
Energy: 1.0022717015296783
Energy: 1.0121818928765056
Energy: 0.9946001807600634
Energy: 0.9940911428352794
Energy: 1.0093452198567932
Energy: 0.981834627956815
Energy: 1.0109446166955318
Energy: 1.108362458568127
Energy: 0.9773342474070913
Energy: 0.9919431926345857
Energy: 0.9991717574431427
Energy: 0.9835669623475024
Energy: 0.9940545241446844
Energy: 1.116824674996283
Energy: 1.0180531695740436
Energy: 1.0117556432061472
Energy: 0.9997079083176701
Energy: 1.0143751157583443
Energy: 1.0282389648507135
Energy: 0.9488467398591702
Energy: 0.9989524784201046
Energy: 0.9789326722274095
Energy: 0.9642678568809904
Energy: 1.001186869655815
Energy: 0.9734696300162734
Energy: 1.0222153223031811
Energy: 1.0106321074817026
Energy: 1.0041976963724908
Energy: 0.9787514256920958
Energy: 1.0079965343296509
Energy: 1.0015600912638511
Energy: 1.1090308232080541
Energy: 0.9857958832683149
Energy: 0.9780820979202332
Energy: 1.0038338949454022
Energy: 0.9785168631724975
Energy: 0.9778643155074617
Energy: 1.0333639900216067
Energy: 0.9816099618444725
Energy: 0.9796489083705207
Energy: 1.0034001602387685
Energy: 0.9819288545803156
Energy: 0.9790896718067961
Energy: 1.0575307863354757
Energy: 1.0119795604270023
Energy: 1.002802626910827
Energy: 0.989019974312507
Energy: 1.0099733063513354
Energy: 1.0014459990293538
Energy: 0.9680578620905705
Energy: 0.9978480727528974
Energy: 0.9993910254425645
Energy: 0.9762630892564634
Energy: 0.997293393030305
Energy: 0.9779710539536993
Energy: 1.0459606754337814
Energy: 1.0066959372908535
Energy: 1.0051782177454762
Energy: 0.9945539004273375
Energy: 1.0060003881087096
Energy: 1.0188859369124097
Energy: 1.0446179083351312
Energy: 0.9892088740418141
Energy: 0.9973294422126041
Energy: 0.9988893422843239
Energy: 0.9920880301244521
Energy: 0.9985443151225514
Energy: 0.9949123247479346
Energy: 0.9971695646997147
Energy: 0.9988700310162153
Energy: 0.9996908360118633
Energy: 0.9938062671480807
Energy: 0.9984238965039962
Energy: 0.9977336860081942
Energy: 0.992153289453926
Energy: 0.9921470588140912
Energy: 0.9984463820358425
Energy: 0.9947612100215281
Energy: 0.9943956460603024
Energy: 0.9938906138833555
Energy: 1.0029456071733232
Energy: 0.9877126918708288
Energy: 0.9931145182496346
Energy: 0.9998558507623078
Energy: 0.9870844825661863
Energy: 1.0046919011921758
Energy: 0.9911739092660984
Energy: 0.9881898010395518
Energy: 1.0012296513028838
Energy: 0.977419809711971
Energy: 0.9875231474921132
Energy: 1.0025856405020588
Energy: 0.9992240166019655
Energy: 0.9901259084427412
Energy: 0.9958143723308553
Energy: 0.9984626942149399
Energy: 0.9907823265331804
Energy: 0.9845978990058452
Energy: 0.9970793717835691
Energy: 0.9977567925510623
Energy: 0.9865376855406779
Energy: 0.9979483520807494
Energy: 0.9836428000457448
Energy: 0.9983561534618346
Energy: 0.9989716819234215
Energy: 0.9984662467499186
Energy: 0.9912140752516285
Energy: 1.0006783396490344
Energy: 1.001505350803904
Energy: 1.0099736960418608
Energy: 0.9946098348760204
Energy: 1.0096936829566556
Energy: 1.0109700865702145
Energy: 0.9826663100472033
Energy: 1.0095412007389104
Energy: 1.107281775440013
Energy: 0.9776036926044454
Energy: 0.9907202080804539
Energy: 0.9988643447883513
Energy: 0.9741729264258178
Energy: 0.9957236716785827
Energy: 1.1164053098884885
Energy: 1.014803820935509
Energy: 1.0534966569246365
Energy: 0.9980080748419651
Energy: 1.0156824700665343
Energy: 1.010260604100377
Energy: 0.9485438808152424
Energy: 1.0003244632952828
Energy: 0.9795015199476458
Energy: 0.970439791976993
Energy: 1.000945845837285
Energy: 0.9717723265630259

minimum gb energy = 0.9485438808152424 eV
minimum distance =  2.37324700429156 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.2492655283433551
Energy: 1.2795517801642582
Energy: 1.2864217643217695
Energy: 1.2252790053170075
Energy: 1.2369249830811595
Energy: 1.2271530745207042
Energy: 1.280036400678067
Energy: 1.237218792731633
Energy: 1.2394187457012864
Energy: 1.2457698502823003
Energy: 1.2353198909077028
Energy: 1.2226911426516627
Energy: 1.3554141527844277
Energy: 1.206703520419342
Energy: 1.2048621651161062
Energy: 1.2409148705248976
Energy: 1.2089775744873996
Energy: 1.225979258863387
Energy: 1.2368838723443067
Energy: 1.2066349816513593
Energy: 1.2055157722603607
Energy: 1.2369043658194423
Energy: 1.2067718727508585
Energy: 1.244475521512165
Energy: 1.2424154407162977
Energy: 1.2325171249162854
Energy: 1.2392626947613872
Energy: 1.245027051788201
Energy: 1.2335601136767498
Energy: 1.2220730359741723
Energy: 1.2097332238018503
Energy: 1.2329165951096366
Energy: 1.220485468554624
Energy: 1.2049460879631035
Energy: 1.2325055838645533
Energy: 1.2205563940822768
Energy: 1.3077272709502332
Energy: 1.244478732378114
Energy: 1.2366116700000362
Energy: 1.223301043265947
Energy: 1.24430275978182
Energy: 1.2172157272272521
Energy: 1.3049836702111732
Energy: 1.2225729637449232
Energy: 1.2211553476523676
Energy: 1.2235121282456691
Energy: 1.2202942474847485
Energy: 1.2212039177915976
Energy: 1.210521859258712
Energy: 1.2218021048089673
Energy: 1.218168260834938
Energy: 1.2133236553561502
Energy: 1.224524606171657
Energy: 1.2176562002610576
Energy: 1.2284832431996482
Energy: 1.2221661963468122
Energy: 1.21915991312853
Energy: 1.2251240143035012
Energy: 1.2280576838230621
Energy: 1.2186219138184011
Energy: 1.2294505028455252
Energy: 1.2391839893788013
Energy: 1.250313824651824
Energy: 1.2315662656382513
Energy: 1.2316267837474555
Energy: 1.2451308759218949
Energy: 1.3984914526391878
Energy: 1.2158221370657476
Energy: 1.2151897334431392
Energy: 1.2344304090726663
Energy: 1.2148254140298684
Energy: 1.2131262101075935
Energy: 1.4020065798915065
Energy: 1.2485027902146686
Energy: 1.2447981689248109
Energy: 1.2375290213202434
Energy: 1.2452845604534686
Energy: 1.2212060833104221
Energy: 1.199192028912596
Energy: 1.2347347559795114
Energy: 1.2134959693036689
Energy: 1.1993069806444858
Energy: 1.2323904822408938
Energy: 1.211879221838912

minimum gb energy = 1.199192028912596 eV
minimum distance =  2.363477458474 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.4775729175885468
Energy: 1.63594090374936
Energy: 1.4980925900255229
Energy: 1.4185333598320808
Energy: 1.5023445511480724
Energy: 1.507566296708648
Energy: 1.6049004805989808
Energy: 1.410507625630878
Energy: 1.40389606123379
Energy: 1.4114046369906472
Energy: 1.4158658798331034
Energy: 1.4091730945402832
Energy: 1.6738722658686864
Energy: 1.3941099387139946
Energy: 1.3932215670995396
Energy: 1.41575752376648
Energy: 1.3951662084064342
Energy: 1.4143460308362643
Energy: 1.4407588386823529
Energy: 1.3939423384825589
Energy: 1.4132721254652476
Energy: 1.4155438668750482
Energy: 1.3946946656214478
Energy: 1.412057258261408
Energy: 1.436586248518508
Energy: 1.4074851879672807
Energy: 1.404433931565981
Energy: 1.4122703306163096
Energy: 1.4033886311660793
Energy: 1.4038025906708658
Energy: 1.4391813231550108
Energy: 1.3894061228677403
Energy: 1.3890698001832624
Energy: 1.405220644811021
Energy: 1.3908368308237786
Energy: 1.4046523955059498
Energy: 1.4509228207255631
Energy: 1.3901137806518287
Energy: 1.3891981863241776
Energy: 1.3907754672471337
Energy: 1.3850009108244157
Energy: 1.388776192142269
Energy: 1.5543704134097391
Energy: 1.4029147945938583
Energy: 1.4048808622868736
Energy: 1.4038987303060704
Energy: 1.4093050669049045
Energy: 1.4045084445309637
Energy: 1.4438805797811294
Energy: 1.4142964700329579
Energy: 1.414123348195454
Energy: 1.3888944819738802
Energy: 1.4152752088756877
Energy: 1.3994722259959456
Energy: 1.442541902347431
Energy: 1.4141334300229746
Energy: 1.4135543426064678
Energy: 1.3882467004702275
Energy: 1.4151227893469749
Energy: 1.3993186297090203
Energy: 1.5031571713856162
Energy: 1.4133244923292594
Energy: 1.4095940377391762
Energy: 1.407402367066395
Energy: 1.4200198131764326
Energy: 1.409878281329651
Energy: 1.4680826175204802
Energy: 1.3887995100842765
Energy: 1.388289548578362
Energy: 1.4348712988977534
Energy: 1.3832445377040337
Energy: 1.3894365381895215
Energy: 1.4482023464945928
Energy: 1.4004006955123773
Energy: 1.400214244820595
Energy: 1.420233815215502
Energy: 1.4115223209844239
Energy: 1.4101616892760196
Energy: 1.438130308668315
Energy: 1.4014711879857136
Energy: 1.40028915261059
Energy: 1.3956683564435983
Energy: 1.3994509069615007
Energy: 1.4002738312549214
Energy: 1.4483379930829887
Energy: 1.4016287755496817
Energy: 1.399622421432796
Energy: 1.401521829299869
Energy: 1.4009684229620922
Energy: 1.4003048005156233
Energy: 1.5332955526879728
Energy: 1.4012268752608177
Energy: 1.4007418778498424
Energy: 1.3999056514042652
Energy: 1.399342729923165
Energy: 1.4015089361430493
Energy: 1.448279775056264
Energy: 1.4003703912168086
Energy: 1.4012284839231792
Energy: 1.4352265526838726
Energy: 1.4001115227213672
Energy: 1.4015470088311746
Energy: 1.4342729102447735
Energy: 1.4541743377532648
Energy: 1.4266190874736853
Energy: 1.4014436159467223
Energy: 1.4284804939529445
Energy: 1.382004382238809
Energy: 1.4340919466078084
Energy: 1.4016972236492082
Energy: 1.4014662742983524
Energy: 1.4368143038098486
Energy: 1.4002244105084376
Energy: 1.400344304132796
Energy: 1.4554200121106453
Energy: 1.3944556142827986
Energy: 1.3933414132201072
Energy: 1.434533848987025
Energy: 1.395532223733091
Energy: 1.4215930440332243
Energy: 1.5837848627866198
Energy: 1.393722391490323
Energy: 1.4165359257992998
Energy: 1.4163452585811247
Energy: 1.3937737731272095
Energy: 1.4159251354306779
Energy: 1.4837618812463282
Energy: 1.4169576891045579
Energy: 1.4162959274888878
Energy: 1.412053200438014
Energy: 1.4235243422817194
Energy: 1.42036318359965
Energy: 1.4485761651307376
Energy: 1.4372293581469098
Energy: 1.4095702712138192
Energy: 1.3893096604005761
Energy: 1.4403830574350032
Energy: 1.3996644198652268
Energy: 1.6021273335736848
Energy: 1.4015520322512434
Energy: 1.4000734732984015
Energy: 1.4004215813196188
Energy: 1.4366740973061634
Energy: 1.4001270146522329
Energy: 1.5031676078345322
Energy: 1.401182043405094
Energy: 1.399606734067936
Energy: 1.4535442385276742
Energy: 1.3991646834499403
Energy: 1.3962777306145906
Energy: 1.4385985618531425
Energy: 1.4008941638254675
Energy: 1.4028917970788932
Energy: 1.4007860192266763
Energy: 1.4004847995237486
Energy: 1.4009463578165238
Energy: 1.4396730915157459
Energy: 1.4065182210514586
Energy: 1.4022413273654593
Energy: 1.4001891319989608
Energy: 1.3996652945631272
Energy: 1.4005096107908943
Energy: 1.4362642062989812
Energy: 1.399708615034693
Energy: 1.4018268381385954
Energy: 1.4004826203637173
Energy: 1.4011123619490167
Energy: 1.3995992096259657
Energy: 1.445827785108275
Energy: 1.393945675130318
Energy: 1.3929204471998693
Energy: 1.418005444331571
Energy: 1.39511820882979
Energy: 1.3923552953594085
Energy: 1.67703667089825
Energy: 1.441290310210404
Energy: 1.4002904779293979
Energy: 1.401051487183382
Energy: 1.40717965141986
Energy: 1.399116692295894
Energy: 1.448354254106916
Energy: 1.4216644364335664
Energy: 1.4032871851996094
Energy: 1.3870369945034386
Energy: 1.4200559017930285
Energy: 1.3972827264603382

minimum gb energy = 1.382004382238809 eV
minimum distance =  2.33531319010511 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.1336343744559962
Energy: 1.54965921200156
Energy: 1.5498233943582989
Energy: 1.553515648656568
Energy: 1.5511290282788885
Energy: 1.54971716436029
Energy: 1.5501578673034315
Energy: 1.4987167459388813
Energy: 1.4997390892971147
Energy: 1.501001554851316
Energy: 1.5005268475404367
Energy: 1.4996430175999929
Energy: 1.7055840210024995
Energy: 1.4812625070734389
Energy: 1.4807016583297743
Energy: 1.4983895665504994
Energy: 1.482305393682771
Energy: 1.5015058067553368
Energy: 1.5639630641744482
Energy: 1.4988103255233753
Energy: 1.49705464672519
Energy: 1.4976763150187289
Energy: 1.4845570465154905
Energy: 1.4976589077218465
Energy: 1.537766109202685
Energy: 1.501472629815748
Energy: 1.4979991432923667
Energy: 1.4997386479525097
Energy: 1.4986984111129502
Energy: 1.4970168634932377
Energy: 1.5567604705412
Energy: 1.498698437049528
Energy: 1.4976819342772585
Energy: 1.4995099759062254
Energy: 1.5007716054691727
Energy: 1.497043569739472
Energy: 1.5651829915258275
Energy: 1.4828997101234747
Energy: 1.4829725161990415
Energy: 1.5023314379718289
Energy: 1.4847787658678162
Energy: 1.496880913955617
Energy: 1.7110212681935129
Energy: 1.5016939702360776
Energy: 1.500255262710395
Energy: 1.5020644634653726
Energy: 1.4990808720498277
Energy: 1.499513842629977
Energy: 1.5469184100011635
Energy: 1.5011290316098198
Energy: 1.4852940186714967
Energy: 1.488506494058354
Energy: 1.4997024468725684
Energy: 1.4854748715513473
Energy: 1.5479324896786701
Energy: 1.5006248885781068
Energy: 1.485117291735507
Energy: 1.4886437234773595
Energy: 1.4990355359630274
Energy: 1.4853236986582843
Energy: 1.7005536491032949
Energy: 1.4997451190531859
Energy: 1.4976275553626566
Energy: 1.5007417305665964
Energy: 1.4998221093614312
Energy: 1.496440084472239
Energy: 1.5565864932707056
Energy: 1.4809636437671625
Energy: 1.4803209757996314
Energy: 1.4996002603464673
Energy: 1.482191760916106
Energy: 1.5031492381310874
Energy: 1.5388521008028757
Energy: 1.5024658824941342
Energy: 1.4990087756120254
Energy: 1.500775631304972
Energy: 1.4993232826086818
Energy: 1.4978845103580132
Energy: 1.5611921319184006
Energy: 1.4986891821233184
Energy: 1.4978694707101847
Energy: 1.4999017938165833
Energy: 1.500330272020534
Energy: 1.497248482200525
Energy: 1.5344127357951514
Energy: 1.484444014690531
Energy: 1.496463797720691
Energy: 1.5002929693320202
Energy: 1.488742244212004
Energy: 1.496292127693761
Energy: 1.7259782972883497
Energy: 1.484632965809622
Energy: 1.4840094434983586
Energy: 1.5002911694446788
Energy: 1.4880854589956356
Energy: 1.4993356233755997
Energy: 1.548874224060956
Energy: 1.4989784592150497
Energy: 1.4994607085204585
Energy: 1.4894148691354516
Energy: 1.49957332675116
Energy: 1.499990120806727

minimum gb energy = 1.4803209757996314 eV
minimum distance =  2.33577822280949 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.6799872488520686
Energy: 1.5934207401947786
Energy: 1.5598201382677108
Energy: 1.7061939612595987
Energy: 1.6009785447329385
Energy: 1.5600078802974688
Energy: 1.7330173299564617
Energy: 1.529750403812706
Energy: 1.5305607484287047
Energy: 1.5271116015182395
Energy: 1.5316718055414806
Energy: 1.5389473055651897
Energy: 1.6600963863306653
Energy: 1.5812613499762467
Energy: 1.5415530231707195
Energy: 1.5578233512240969
Energy: 1.5772322272211432
Energy: 1.5405150179671352
Energy: 1.5309197642464965
Energy: 1.5384238765234872
Energy: 1.5375761520192
Energy: 1.5272750997081437
Energy: 1.513358243436922
Energy: 1.5360398212985003
Energy: 1.530433393316992
Energy: 1.5055744021271689
Energy: 1.5059971298878045
Energy: 1.5275107641752865
Energy: 1.5067637304602346
Energy: 1.5067483912304096
Energy: 1.5285256191917427
Energy: 1.503418622698881
Energy: 1.502026171843614
Energy: 1.5111386588324651
Energy: 1.5073755529899424
Energy: 1.5021394288373409
Energy: 1.5548352336951037
Energy: 1.5939244633503158
Energy: 1.5506987143118747
Energy: 1.4982635593036373
Energy: 1.5971892326126194
Energy: 1.551162724033245
Energy: 1.6831974168605845
Energy: 1.5071585852225338
Energy: 1.504055916013396
Energy: 1.5071981244563362
Energy: 1.5043872531884983
Energy: 1.5034882246593266
Energy: 1.6455564395223203
Energy: 1.5033719720805523
Energy: 1.5027129010662228
Energy: 1.557152430892314
Energy: 1.5042547681232563
Energy: 1.5378716636621539
Energy: 1.6426186001420369
Energy: 1.5033805078027545
Energy: 1.5028451876068007
Energy: 1.5581232991746752
Energy: 1.5042913833855351
Energy: 1.5029035497377512
Energy: 1.6862166912551635
Energy: 1.5175417532665811
Energy: 1.5166185623670416
Energy: 1.5034562661439983
Energy: 1.5050601432553263
Energy: 1.5153551817037458
Energy: 1.6339961279830764
Energy: 1.5393743161031948
Energy: 1.5381652410181903
Energy: 1.5320575704673118
Energy: 1.5352824815892916
Energy: 1.538547926375125
Energy: 1.6272637856475483
Energy: 1.5406959005025018
Energy: 1.5408760090049327
Energy: 1.6009374733468817
Energy: 1.5434443706964491
Energy: 1.5757146762581828
Energy: 1.6304967232327858
Energy: 1.5433132540920214
Energy: 1.5411484667247959
Energy: 1.6016245403823988
Energy: 1.5418154000521929
Energy: 1.5361196442732135
Energy: 1.631157288937001
Energy: 1.500785822847256
Energy: 1.5004649947759339
Energy: 1.5369660638971725
Energy: 1.5024830144063406
Energy: 1.5279284711381729
Energy: 1.6069449572709975
Energy: 1.5519089774438992
Energy: 1.49985851007763
Energy: 1.5196688292382692
Energy: 1.5543910574351243
Energy: 1.5000865216439656
Energy: 1.589993521877542
Energy: 1.5374862224968238
Energy: 1.5362241949632478
Energy: 1.5569694642419654
Energy: 1.5401709717272547
Energy: 1.5376722720752063
Energy: 1.5866713015826148
Energy: 1.5152546946342895
Energy: 1.5696061685780809
Energy: 1.5754494949173161
Energy: 1.5305342192573925
Energy: 1.5736450767707877
Energy: 1.6247503960894099
Energy: 1.5842240529307479
Energy: 1.5817521591709676
Energy: 1.5770771823024166
Energy: 1.5481165858504569
Energy: 1.5761943599900117
Energy: 1.615092506064012
Energy: 1.5829082937342518
Energy: 1.5794293790745717
Energy: 1.5790813431585307
Energy: 1.5747306548203042
Energy: 1.5407721842584061
Energy: 1.6352816453612127
Energy: 1.5296095594085934
Energy: 1.5318769287559284
Energy: 1.5016074706763185
Energy: 1.5319257502516828
Energy: 1.532806722068749

minimum gb energy = 1.4982635593036373 eV
minimum distance =  2.3070367829185 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6626299913787852
Energy: 1.5732409512093075
Energy: 1.5227544596740143
Energy: 1.5226215150646385
Energy: 2.4675425189946654
Energy: 1.522826023728067
Energy: 1.5166099094202758
Energy: 1.501864391228641
Energy: 1.4989812227023342
Energy: 1.502423776585058
Energy: 1.5046249262704312
Energy: 1.4987443256001545
Energy: 1.5920525618174328
Energy: 1.5049466188519265
Energy: 1.504472947332076
Energy: 1.5065668899424334
Energy: 1.5068526286279544
Energy: 1.5048735371419355
Energy: 1.5382133709436905
Energy: 1.5083412177501043
Energy: 1.506765523463676
Energy: 1.505794875496362
Energy: 1.5107733205909637
Energy: 1.5068540942999447
Energy: 1.5051089059743232
Energy: 1.5079456637498154
Energy: 1.503401102994513
Energy: 1.5071227941761447
Energy: 1.505608501217527
Energy: 1.507586389303693
Energy: 1.5201332271037091
Energy: 1.5002146979263817
Energy: 1.4972854537060276
Energy: 1.5059653165833125
Energy: 1.5045497644838246
Energy: 1.4969262760837458
Energy: 1.5364958160576176
Energy: 1.4917385887397636
Energy: 1.4911652720731845
Energy: 1.5097191430172985
Energy: 1.4930649208373643
Energy: 1.4915565665705666
Energy: 1.5936353300418413
Energy: 1.4929969637092124
Energy: 1.5036322853685709
Energy: 1.5122303349920954
Energy: 1.4964844621366418
Energy: 1.5030210899074103
Energy: 1.5930723586100113
Energy: 1.508361578090006
Energy: 1.5063135872824176
Energy: 1.5038524106657527
Energy: 1.505632697268325
Energy: 1.5043019201656038
Energy: 1.5933860144391576
Energy: 1.5080272762844766
Energy: 1.5086096472706116
Energy: 1.4989783587393035
Energy: 1.5049914955023715
Energy: 1.5095656923566971
Energy: 1.5930233007418844
Energy: 1.5090815014562315
Energy: 1.5075594918619843
Energy: 1.5140865463931807
Energy: 1.5058699812177447
Energy: 1.5070424775509612
Energy: 1.5928070877870868
Energy: 1.501354425078967
Energy: 1.4995550084032765
Energy: 1.5121210708892758
Energy: 1.5052425230081743
Energy: 1.4992784360715832
Energy: 1.512875264704382
Energy: 1.5050518438788167
Energy: 1.4912923927002635
Energy: 1.4987781755738414
Energy: 1.508075366124015
Energy: 1.4906263001330347
Energy: 1.5034978977578337
Energy: 1.5105657247460942
Energy: 1.507867554983024
Energy: 1.5050790360455402
Energy: 1.5144056388697305
Energy: 1.4899668506813326
Energy: 1.5915635644657842
Energy: 1.5106963521316028
Energy: 1.5101290189194105
Energy: 1.5055379385583672
Energy: 1.4983959029734504
Energy: 1.5096144674680192
Energy: 1.5366236569815304
Energy: 1.5036569015054926
Energy: 1.503945177550956
Energy: 1.4999244961971085
Energy: 1.5041377335832518
Energy: 1.5047796099051791
Energy: 1.5081412639875686
Energy: 1.505171820981032
Energy: 1.5026248079421647
Energy: 1.5090967124040098
Energy: 1.5094793843537453
Energy: 1.5020839761300016
Energy: 1.5191329696429745
Energy: 1.5090313391050887
Energy: 1.506135883224526
Energy: 1.5146574118953864
Energy: 1.5127196993280694
Energy: 1.5058446145751951
Energy: 1.542866220574739
Energy: 1.495529633018472
Energy: 1.4940953894670734
Energy: 1.5107873010407205
Energy: 1.4971862068920416
Energy: 1.4936464830049678
Energy: 1.5921522523287006
Energy: 1.4951536218299086
Energy: 1.4936249655788223
Energy: 1.4996807927633078
Energy: 1.4971819270068079
Energy: 1.4934325504044736
Energy: 1.5920634858852112
Energy: 1.5096203000032207
Energy: 1.506994645053885
Energy: 1.5146097571159303
Energy: 1.5112374431222317
Energy: 1.5059344136791137
Energy: 1.5089841053784245
Energy: 1.5057974345823906
Energy: 1.5046308879372374
Energy: 1.5098686583870211
Energy: 1.5057582766173263
Energy: 1.5041581397572659
Energy: 1.5931474287177632
Energy: 1.501338122758896
Energy: 1.49907201807806
Energy: 1.5058514527965778
Energy: 1.5041626842922098
Energy: 1.498268685678627
Energy: 1.5912577332656281
Energy: 1.5046119477070738
Energy: 1.5043082098188516
Energy: 1.4991307917126633
Energy: 1.5055797220858145
Energy: 1.5373760751214756
Energy: 1.5034650426220564
Energy: 1.5106513906738874
Energy: 1.5079558480132926
Energy: 1.5051504733886236
Energy: 1.511967111116726
Energy: 1.490100850283852

minimum gb energy = 1.4899668506813326 eV
minimum distance =  2.3077937718073 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.594904695975235
Energy: 1.4471803249129753
Energy: 1.5005613893364529
Energy: 1.4663261313011555
Energy: 1.4277618138388148
Energy: 1.500981990775494
Energy: 1.60489302871004
Energy: 1.4860005388627586
Energy: 1.4851367908632636
Energy: 1.489541759960009
Energy: 1.4405507246766005
Energy: 1.4850124803532798
Energy: 1.5791850185323977
Energy: 1.4773212990472437
Energy: 1.4729348661161903
Energy: 1.4491655348772816
Energy: 1.4859364674559807
Energy: 1.4709193649825427
Energy: 1.541766059207749
Energy: 1.4839084025573572
Energy: 1.480512570161572
Energy: 1.4814524674488265
Energy: 1.4893366009502027
Energy: 1.4799876881779848
Energy: 1.538950656402744
Energy: 1.4472998286403067
Energy: 1.461450246639479
Energy: 1.4855520670880664
Energy: 1.4533164869702435
Energy: 1.4641313964581215
Energy: 1.5432457346123392
Energy: 1.484717394882357
Energy: 1.4824415311518504
Energy: 1.4009199147815765
Energy: 1.4882157876253874
Energy: 1.482216116477038
Energy: 1.5429688878241472
Energy: 1.4663693108965086
Energy: 1.4620696842942282
Energy: 1.4599186318461521
Energy: 1.4688948192219071
Energy: 1.4599928815583192
Energy: 1.53221522248672
Energy: 1.4714206382456412
Energy: 1.4851458238196453
Energy: 1.426740890144593
Energy: 1.4687035513679843
Energy: 1.48536381912577
Energy: 1.5242994411917836
Energy: 1.4692461910459718
Energy: 1.4683513079830248
Energy: 1.4038714225485913
Energy: 1.4711171773646272
Energy: 1.467703607994511
Energy: 1.5207459744412541
Energy: 1.4724665848319558
Energy: 1.4696944075769451
Energy: 1.4746184831010416
Energy: 1.4710249167176888
Energy: 1.4690529262132284
Energy: 1.537311222235514
Energy: 1.4490952332983098
Energy: 1.4548193812544787
Energy: 1.4696949955733674
Energy: 1.4548482019093503
Energy: 1.4536302874378697
Energy: 1.5552231681805464
Energy: 1.4739603557666618
Energy: 1.4713200168914033
Energy: 1.4719827429406749
Energy: 1.4731162407022282
Energy: 1.4708835142560959
Energy: 1.5570687098995024
Energy: 1.4301731550934618
Energy: 1.4602288679666742
Energy: 1.4749888624871537
Energy: 1.430983889150847
Energy: 1.458621737906752
Energy: 1.6125229316718428
Energy: 1.4708928245799444
Energy: 1.4718743776767083
Energy: 1.455291740329186
Energy: 1.3983210471195298
Energy: 1.4720215074516831
Energy: 1.554386734275419
Energy: 1.4423421225155573
Energy: 1.4407949106670053
Energy: 1.4579953294396968
Energy: 1.4520764938145654
Energy: 1.4403483444242844
Energy: 1.55216193800925
Energy: 1.4623914602423234
Energy: 1.4592079202155133
Energy: 1.4574696740496498
Energy: 1.4572537103188816
Energy: 1.4586333950721826
Energy: 1.5378251494707982
Energy: 1.4670263190215267
Energy: 1.4665313458448543
Energy: 1.48307989806527
Energy: 1.4603587739483281
Energy: 1.4762477728897325
Energy: 1.5785501395544839
Energy: 1.4583933673699025
Energy: 1.4605859753507642
Energy: 1.4009217981257416
Energy: 1.435157164006543
Energy: 1.4611661928416988
Energy: 1.550476347120275
Energy: 1.4686596107467942
Energy: 1.4685034292336048
Energy: 1.4606669568740611
Energy: 1.477334286022628
Energy: 1.434777731660372
Energy: 1.5033617382384286
Energy: 1.4685177119554658
Energy: 1.4684928956036343
Energy: 1.435899992253686
Energy: 1.4690586056703498
Energy: 1.4432671649179971
Energy: 1.5080051476753333
Energy: 1.4572985020132085
Energy: 1.4579031167088914
Energy: 1.45767677568975
Energy: 1.4612497433794849
Energy: 1.4585288160120948
Energy: 1.506637607713694
Energy: 1.4745376085457553
Energy: 1.4723021916429277
Energy: 1.4802071176060043
Energy: 1.4716084147963642
Energy: 1.4725314362124113
Energy: 1.509269741243225
Energy: 1.454252672301905
Energy: 1.4554004616059915
Energy: 1.3979955063219691
Energy: 1.4542443990744534
Energy: 1.4015452822063268
Energy: 1.5607939352355313
Energy: 1.4535075377786797
Energy: 1.4568684078487673
Energy: 1.3973065048546425
Energy: 1.4540711640614854
Energy: 1.4567264466214027
Energy: 1.5630990382620145
Energy: 1.4718295591759325
Energy: 1.4753113119389114
Energy: 1.4781038013501169
Energy: 1.4712447958844905
Energy: 1.4750114001419852
Energy: 1.5423591076323875
Energy: 1.468634512776432
Energy: 1.4698873784078461
Energy: 1.486986928134703
Energy: 1.4668145662732637
Energy: 1.4579334343021069
Energy: 1.5603513148992447
Energy: 1.471956747750693
Energy: 1.47245397077665
Energy: 1.4700829459764562
Energy: 1.4714345776339843
Energy: 1.4726277185337802
Energy: 1.5791386459243095
Energy: 1.491444678691397
Energy: 1.4889005256292356
Energy: 1.4831899835595228
Energy: 1.4878741667869384
Energy: 1.4876223548154608
Energy: 1.57669123021254
Energy: 1.4267998102672694
Energy: 1.4699838879459433
Energy: 1.453298388103254
Energy: 1.4274089103621208
Energy: 1.4542112214656866

minimum gb energy = 1.3973065048546425 eV
minimum distance =  2.30949971005815 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.356235395996264
Energy: 1.3981699220553319
Energy: 1.3971091841544236
Energy: 1.3743636289914811
Energy: 1.402976035476725
Energy: 1.3744157459638748
Energy: 1.5824794918803036
Energy: 1.4014154894927948
Energy: 1.3998761381701343
Energy: 1.4064301618982333
Energy: 1.394325836854138
Energy: 1.399446596673099
Energy: 1.5363952137841987
Energy: 1.3987499381417428
Energy: 1.3928241173808764
Energy: 1.4005656924278884
Energy: 1.4000368471650741
Energy: 1.3910130820248996
Energy: 1.4907621574040746
Energy: 1.3978921751235254
Energy: 1.3948720656718339
Energy: 1.4008946254299852
Energy: 1.4038045003161175
Energy: 1.3946076067534947
Energy: 1.4704695636337661
Energy: 1.3971855809030105
Energy: 1.3976385894377898
Energy: 1.3959795260747827
Energy: 1.4159150849160078
Energy: 1.4010278916332075
Energy: 1.4865395903367788
Energy: 1.3990448936307287
Energy: 1.396535028330008
Energy: 1.3977670404403408
Energy: 1.4034823426533864
Energy: 1.3961530562548892
Energy: 1.508392589791524
Energy: 1.3944800754197302
Energy: 1.3881929264141646
Energy: 1.4134028557393286
Energy: 1.394581041244608
Energy: 1.3868295937869237
Energy: 1.4754516300212697
Energy: 1.4012802285461616
Energy: 1.401422062659013
Energy: 1.3942993271857926
Energy: 1.40020789350269
Energy: 1.4008704790706707
Energy: 1.4603917739838832
Energy: 1.398562884910074
Energy: 1.3936961823479521
Energy: 1.3981928564155843
Energy: 1.391007928489718
Energy: 1.3929280046976158
Energy: 1.4649888476980715
Energy: 1.3985818719098633
Energy: 1.3958366240919458
Energy: 1.3973652941612458
Energy: 1.4026483968164398
Energy: 1.3953664328423594
Energy: 1.4915467224082843
Energy: 1.3750455184874208
Energy: 1.3746450681693918
Energy: 1.392152254453899
Energy: 1.3968967732589121
Energy: 1.3803017792152696
Energy: 1.5146456381262823
Energy: 1.3998519142983468
Energy: 1.3972460395055541
Energy: 1.4161263032423843
Energy: 1.3937970895189942
Energy: 1.3971321900500786
Energy: 1.482691451714023
Energy: 1.4006511785067162
Energy: 1.4005786747186033
Energy: 1.3982679459191552
Energy: 1.4018579679091248
Energy: 1.3930824332012481
Energy: 1.4807722229319646
Energy: 1.399579231006092
Energy: 1.3999465933693238
Energy: 1.4029849481854775
Energy: 1.3934542746224023
Energy: 1.4004864559986419
Energy: 1.5138323265671674
Energy: 1.4063717983593342
Energy: 1.3859630022605265
Energy: 1.3987765136288695
Energy: 1.4070462341638674
Energy: 1.3984736001182978
Energy: 1.5368172153974171
Energy: 1.3981712812834806
Energy: 1.3955367574288826
Energy: 1.4041662029785087
Energy: 1.3960142039594736
Energy: 1.3949319075770126
Energy: 1.4827840228543354
Energy: 1.405502749366487
Energy: 1.3943661218649253
Energy: 1.3940067361560673
Energy: 1.4041945747728406
Energy: 1.3906878197051125
Energy: 1.5807274080107252
Energy: 1.389646620273189
Energy: 1.4006260417964678
Energy: 1.3976069462412783
Energy: 1.3911539868357252
Energy: 1.3962218654792604
Energy: 1.5360836535547084
Energy: 1.4022616027546706
Energy: 1.400481494512878
Energy: 1.3924447844682684
Energy: 1.4015852520980934
Energy: 1.400852708004325
Energy: 1.4880373262919566
Energy: 1.401660299098215
Energy: 1.399101719261634
Energy: 1.399826053343006
Energy: 1.405296933380664
Energy: 1.398928459541872
Energy: 1.4701232821037444
Energy: 1.38994483147522
Energy: 1.3902267321071555
Energy: 1.3993588419402414
Energy: 1.390636490770302
Energy: 1.3934275946311023
Energy: 1.4847382156384248
Energy: 1.399147309097775
Energy: 1.3965308257744122
Energy: 1.3972961195376632
Energy: 1.4039196743715852
Energy: 1.3961170595392383
Energy: 1.4849807243972286
Energy: 1.391127011354442
Energy: 1.3901473303558676
Energy: 1.3858745441198692
Energy: 1.3904836415860935
Energy: 1.390014521054777
Energy: 1.4926676843323097
Energy: 1.3944418073081486
Energy: 1.3947477299977105
Energy: 1.3833316597902823
Energy: 1.3942639380390125
Energy: 1.401310309221483
Energy: 1.4595592715837966
Energy: 1.4012688389186396
Energy: 1.398572585003908
Energy: 1.405606775319631
Energy: 1.4060023403838053
Energy: 1.3985660694691693
Energy: 1.4602184078844596
Energy: 1.4010551080317046
Energy: 1.3984672771559725
Energy: 1.3965489436230933
Energy: 1.4064803220184907
Energy: 1.3981387930855884
Energy: 1.4909748165498726
Energy: 1.3961390361575612
Energy: 1.3946797220240152
Energy: 1.390093941927248
Energy: 1.3976462046432685
Energy: 1.3961881352776797
Energy: 1.513816351072339
Energy: 1.3986671594838946
Energy: 1.3968630672548656
Energy: 1.3996015160849749
Energy: 1.400934960609381
Energy: 1.400984029693051
Energy: 1.4839724765513844
Energy: 1.3994805701048763
Energy: 1.3983959669405401
Energy: 1.3947391568235508
Energy: 1.4001210627529421
Energy: 1.3990301707118022
Energy: 1.4862758249855468
Energy: 1.3927002543170977
Energy: 1.3922947433966382
Energy: 1.3932811268614738
Energy: 1.3954542439642654
Energy: 1.3967040109715767
Energy: 1.5126488788656178
Energy: 1.4010473372382506
Energy: 1.3988946296138862
Energy: 1.3984678349181698
Energy: 1.4029866977760541
Energy: 1.398985166369121
Energy: 1.5362436860207336
Energy: 1.4008644563559702
Energy: 1.3977632955615742
Energy: 1.4071517035887398
Energy: 1.4034164342100448
Energy: 1.3970078196981164
Energy: 1.4833134004360438
Energy: 1.3965568475297498
Energy: 1.3852182435969655
Energy: 1.3938912578991731
Energy: 1.3970346361050152
Energy: 1.3833705901475968

minimum gb energy = 1.3743636289914811 eV
minimum distance =  2.32490213333468 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015490345479690183
Energy: 0.01637330675297473
Energy: 0.016212773980160765
Energy: 0.017527458142077533
Energy: 1.945476454875495
Energy: 0.016324157885251926
Energy: 0.01621618169868137
Energy: 0.15431591676126927
Energy: 0.15241901111960232
Energy: 0.15362768112154115
Energy: 0.1525778953570116
Energy: 0.15236858618693191
Energy: 2.4265253551323873
Energy: 1.9429814724611747
Energy: 1.9443998527325168
Energy: 1.9503047741623143
Energy: 1.946964529700465
Energy: 1.9477649996586601
Energy: 0.592642159834478
Energy: 0.15431591676040324
Energy: 0.15241901111960232
Energy: 0.15362768112154115
Energy: 0.15257789535745697
Energy: 0.15236858618648652

minimum gb energy = 0.015490345479690183 eV
minimum distance =  2.51434100948352 Angstroms
sigma value = 1