Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
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=3.6150126680731782
cohesive_energy=3.540278438756699
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=[1.90759956573942e-19, 2.52610383352878e-19, 2.98993396907178e-19, 3.36652558689348e-19, 3.68409301751862e-19, 3.9576646777741197e-19, 4.1964210397728e-19, 4.406498440022879e-19, 4.592222755436159e-19, 4.756846404579659e-19, 4.90280469593706e-19, 5.03208432853452e-19, 5.1462714572397e-19, 5.24666384512614e-19, 5.33435097230496e-19, 5.410262101223879e-19, 5.47521434196624e-19, 5.529880608718319e-19, 5.57488575036738e-19, 5.6107424634363e-19, 5.63794742268162e-19, 5.65693321579452e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.66776392984036e-19, 5.6549945820673795e-19, 5.631746999108039e-19, 5.596002438403499e-19, 5.54542172206812e-19, 5.477088888628019e-19, 5.387527214787419e-19, 5.272474910699879e-19, 5.1266928587722195e-19, 4.94370826540308e-19, 4.71546218212344e-19, 4.431892939671779e-19, 4.0802472120414597e-19, 3.64426290639738e-19, 3.1029995741331596e-19, 2.42917214717178e-19, 1.5868149644332077e-19, 5.278563181909079e-20, -8.129812741541819e-20, -2.5257673764356396e-19, -4.7374760890746e-19, -7.63083085064886e-19, -1.1475958641650818e-18, -1.66844265958224e-18, -2.39057571205872e-18, -3.42114378834654e-18, -4.9463037915501595e-18, -7.31175737398776e-18, -1.1217335289390538e-17, -1.82539188264888e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013654661302378293
Energy: 0.01432793564992292
Energy: 0.014525325844994661
Energy: 0.013804159669501985
Energy: 0.8829678822019048
Energy: 0.01419848076261149
Energy: 0.014327935650201679
Energy: 0.09400147863605922
Energy: 0.09446916331974403
Energy: 0.09364297470349658
Energy: 0.09388989873056361
Energy: 0.09500286869306969
Energy: 0.014525325844994661
Energy: 0.09446916331974403
Energy: 0.09463662062940752
Energy: 0.014451486641719604
Energy: 0.09403856452313186
Energy: 0.09430259647564158
Energy: 0.013804159668596012
Energy: 0.09364297470318297
Energy: 0.014451486641719604
Energy: 0.01410912152738602
Energy: 0.09372020522791244
Energy: 0.014258943416592425
Energy: 0.8829678822015912
Energy: 0.09388989873119083
Energy: 0.09403856452344547
Energy: 0.09372020522759884
Energy: 0.09397802032521418
Energy: 0.09403312829305299
Energy: 0.014198480762019123
Energy: 0.09500286869334844
Energy: 0.09430259647536282
Energy: 0.01425894341690603
Energy: 0.09403312829273938
Energy: 0.01429436891352525

minimum gb energy = 0.013654661302378293 eV
minimum distance =  2.55144521977161 Angstroms
sigma value = 1


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

Energy: 2.164851247553257
Energy: 1.09371994618996
Energy: 1.1191577792546568
Energy: 1.0760742904728087
Energy: 1.1998450212638219
Energy: 1.1250888798635363
Energy: 1.8875478049752528
Energy: 1.0672100605679171
Energy: 1.012612314267035
Energy: 1.007624935657782
Energy: 1.067490671658327
Energy: 1.011396142062056
Energy: 1.960766090585328
Energy: 1.0431394805709715
Energy: 1.0213372651866883
Energy: 1.0432223302131023
Energy: 1.0672834869162224
Energy: 1.0166274193583584
Energy: 2.0265422983129002
Energy: 1.049347662308024
Energy: 1.0461890876335385
Energy: 1.0444934737975375
Energy: 1.0488749530281662
Energy: 1.0446256971409538
Energy: 1.8913856807347207
Energy: 1.0304094771280576
Energy: 1.0103722149519274
Energy: 1.0006637264663114
Energy: 1.0305269035456546
Energy: 1.0135379808697376
Energy: 1.7875756400764824
Energy: 1.0222011958386383
Energy: 1.035287618087008
Energy: 1.037171607798876
Energy: 1.0286665179999936
Energy: 1.034203963131365
Energy: 1.788595910651916
Energy: 1.0355044749327371
Energy: 1.0345846831499492
Energy: 1.0338025263662485
Energy: 1.0357762455613708
Energy: 1.0344799305168464
Energy: 1.744089128926958
Energy: 1.037725414374651
Energy: 1.0355944296905433
Energy: 1.0445779315513772
Energy: 1.0301878717983888
Energy: 1.0343797064937381
Energy: 1.3460790963334004
Energy: 1.0364038119354617
Energy: 1.0388206299737075
Energy: 1.0400911706907126
Energy: 1.0374957818838138
Energy: 1.0256160511887624
Energy: 1.3461834467083098
Energy: 1.0077578894152006
Energy: 1.0107310887699736
Energy: 1.0196011242952554
Energy: 1.0055256413958826
Energy: 1.0131699004898644
Energy: 1.2727734491770102
Energy: 1.024888778823816
Energy: 1.024696278816068
Energy: 1.0440142570018596
Energy: 1.0256259304344932
Energy: 1.0618995379792824
Energy: 1.0671086576894193
Energy: 1.0101582019904494
Energy: 1.00982543776362
Energy: 1.067364742289713
Energy: 1.042988064000834
Energy: 1.0177286620269612
Energy: 1.067501970928888
Energy: 1.0075534904952694
Energy: 1.0122139462731548
Energy: 1.0667349208301244
Energy: 1.0094913679220394
Energy: 1.0108007723510062
Energy: 1.2157369727830378
Energy: 1.045294133069055
Energy: 1.0451411714675765
Energy: 1.066570439452058
Energy: 1.0444895891338193
Energy: 1.047282904654958
Energy: 1.1507357503215465
Energy: 1.008851860895878
Energy: 1.0070742480480839
Energy: 1.038067362085556
Energy: 1.0078083657660293
Energy: 1.0151170198645252
Energy: 1.1494442528400473
Energy: 1.0429593132656858
Energy: 1.045992550772042
Energy: 1.0446422700841143
Energy: 1.0383581814324505
Energy: 1.046023607713124
Energy: 1.6099516140169292
Energy: 1.0351526906412762
Energy: 1.0347556132580604
Energy: 1.0451452905449672
Energy: 1.0344750540340875
Energy: 1.0455958839961508
Energy: 1.5613534084020249
Energy: 1.0418847921819834
Energy: 1.043046018194517
Energy: 1.0364963535249594
Energy: 1.0412981739724803
Energy: 1.0420407205217639
Energy: 1.5632535696879808
Energy: 1.0315285503888822
Energy: 1.042792092277291
Energy: 1.031366737106104
Energy: 1.03178321773506
Energy: 1.0412480628252727
Energy: 1.8470578103655486
Energy: 1.0411143368855524
Energy: 1.0388957732369726
Energy: 1.0418178390139976
Energy: 1.0390499976468974
Energy: 1.0399193816367949
Energy: 1.8993841209545257
Energy: 1.0395826997139241
Energy: 1.0274430677962147
Energy: 1.0259525310987165
Energy: 1.040029229583827
Energy: 1.0280334783388034
Energy: 1.8647709178270027
Energy: 1.0439067702938505
Energy: 1.0446292208001497
Energy: 1.030195518168938
Energy: 1.0442678975019166
Energy: 1.041485293206856
Energy: 1.8879344714834072
Energy: 1.0430422076978296
Energy: 1.0114522237162833
Energy: 0.9748822504158174
Energy: 1.0436038841112292
Energy: 1.0112902449615966

minimum gb energy = 0.9748822504158174 eV
minimum distance =  2.33718416735659 Angstroms
sigma value = 33


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

Energy: 2.4078535100231586
Energy: 1.10948067859931
Energy: 1.1495469929521702
Energy: 1.138526886907298
Energy: 1.1981210075145856
Energy: 1.1363790766682453
Energy: 1.9624799857149025
Energy: 1.0651227153677982
Energy: 1.081851201531605
Energy: 1.079105127580286
Energy: 1.0662318646518374
Energy: 1.0806122933377138
Energy: 1.801029790777759
Energy: 1.065130300340637
Energy: 1.0793747267738818
Energy: 1.0792652976022865
Energy: 1.06517800208958
Energy: 1.0791108102177587
Energy: 1.801495004223048
Energy: 1.0649461983333797
Energy: 1.0751479194705764
Energy: 1.0839869466871521
Energy: 1.064971654011691
Energy: 1.0991161924045336
Energy: 1.961982940428977
Energy: 1.0772312134527302
Energy: 1.0797178300117551
Energy: 1.079002393605483
Energy: 1.0763894388713464
Energy: 1.081249603927595
Energy: 1.8000129582573683
Energy: 1.0765481966438573
Energy: 1.0829620642547042
Energy: 1.0787608736808756
Energy: 1.0757157037184948
Energy: 1.0807989225754566
Energy: 1.8002454229564253
Energy: 1.1002090373495015
Energy: 1.0790444931380219
Energy: 1.0791944595423124
Energy: 1.0840037890921252
Energy: 1.0804231003659053
Energy: 1.746243130114659
Energy: 1.1064725669065514
Energy: 1.1088829385342491
Energy: 1.1002268477919765
Energy: 1.0751812056934238
Energy: 1.1081787669066139
Energy: 1.2910542592317666
Energy: 1.0733946987593017
Energy: 1.0995963095788568
Energy: 1.0939768863970263
Energy: 1.0954706232834408
Energy: 1.0773087516249336
Energy: 1.2928709939047767
Energy: 1.079173066153909
Energy: 1.080589930997781
Energy: 1.077263346155361
Energy: 1.0789384343376274
Energy: 1.0815176124021673
Energy: 1.2458881721468102
Energy: 1.0729428970247135
Energy: 1.0728611495385412
Energy: 1.246798896377597
Energy: 1.0729846478926048
Energy: 1.0728225120332502
Energy: 1.0654755886842386
Energy: 1.073173196586016
Energy: 1.079072639646028
Energy: 1.0654065387685956
Energy: 1.0731328609305542
Energy: 1.0805724369975025
Energy: 1.0663057903457518
Energy: 1.0794920322158836
Energy: 1.0791450418449093
Energy: 1.0653419939209998
Energy: 1.0796247206065364
Energy: 1.0800976155560988
Energy: 1.3445894608804865
Energy: 1.083813093729859
Energy: 1.0862238861325115
Energy: 1.0650422992081825
Energy: 1.083538795843095
Energy: 1.0850012607688773
Energy: 1.2961210132269387
Energy: 1.0791368786382405
Energy: 1.0805128105129558
Energy: 1.0776071318190261
Energy: 1.0791005962168778
Energy: 1.0813733950288058
Energy: 1.2913165157298405
Energy: 1.0815664207334403
Energy: 1.0805910747597658
Energy: 1.076183331162659
Energy: 1.0797009271972495
Energy: 1.0811923339909595
Energy: 1.7201202007903902
Energy: 1.0819762676761986
Energy: 1.0800291895715444
Energy: 1.077563195892638
Energy: 1.0792592065379016
Energy: 1.101338914542166
Energy: 1.519773339276162
Energy: 1.1003390619269398
Energy: 1.1011528317552508
Energy: 1.1044569074597634
Energy: 1.0996522816633736
Energy: 1.1067785714625586
Energy: 1.5229668558746943
Energy: 1.093849097325587
Energy: 1.099064203280998
Energy: 1.1034553150804505
Energy: 1.0941396171362068
Energy: 1.0996665551631688
Energy: 1.9099567604337109
Energy: 1.098329790662046
Energy: 1.0976981747907628
Energy: 1.0969097498037141
Energy: 1.0987048298700626
Energy: 1.081500700371734
Energy: 2.0754128074002844
Energy: 1.0966764730815257
Energy: 1.0728019818102918
Energy: 1.0728392341930413
Energy: 1.0959133382851365
Energy: 1.0727771447977668
Energy: 2.030669475176239
Energy: 1.0650489964269918
Energy: 1.0799437042201032
Energy: 1.0730198685344634
Energy: 1.0652899631527115
Energy: 1.0790653503233585
Energy: 1.9080250692652982
Energy: 1.0651821995583857
Energy: 1.0812065962271638
Energy: 1.0792527537354903
Energy: 1.0666808004570307
Energy: 1.0805553516424555
Energy: 1.8254563249468896
Energy: 1.0649710867174278
Energy: 1.0650256388195585
Energy: 1.0833876284576411
Energy: 1.0764358944130903
Energy: 1.099551538431507
Energy: 1.9074567848668913
Energy: 1.0768640518153927
Energy: 1.08119527397828
Energy: 1.0790548761827772
Energy: 1.0775042807096475
Energy: 1.0805130138493109
Energy: 1.8014288813756494
Energy: 1.0743688456000497
Energy: 1.0799656894668408
Energy: 1.079609718988375
Energy: 1.0758873397252662
Energy: 1.0793249040951656
Energy: 1.80242097391014
Energy: 1.0847660217773065
Energy: 1.1008399703498841
Energy: 1.0804618064943718
Energy: 1.0767437231714319
Energy: 1.098913611959807
Energy: 1.7653824801403728
Energy: 1.106616718779523
Energy: 1.107851714834959
Energy: 1.0994236726843436
Energy: 1.1052360923022029
Energy: 1.0998621681955467
Energy: 1.2931444799670937
Energy: 1.105983002751953
Energy: 1.1070577471263074
Energy: 1.095820034267619
Energy: 1.1046929077487264
Energy: 1.10033981270981
Energy: 1.2928988421277574
Energy: 1.097654493004499
Energy: 1.098111157009566
Energy: 1.0958719867551696
Energy: 1.0973039396709487
Energy: 1.096929710038806
Energy: 1.3451783021204953
Energy: 1.072866847749034
Energy: 1.0726695884136415
Energy: 1.0960379457953373
Energy: 1.072972315240463
Energy: 1.072740163683523
Energy: 1.0651359433332415
Energy: 1.073281104018069
Energy: 1.073156841898277
Energy: 1.065122562363053
Energy: 1.0729374630616606
Energy: 1.0790071008501756
Energy: 1.0677341053143943
Energy: 1.0791212838767736
Energy: 1.0803731394481948
Energy: 1.0680176535556654
Energy: 1.0796089118528105
Energy: 1.0816691046045168
Energy: 1.0650786854782
Energy: 1.082791452576728
Energy: 1.0825432034627098
Energy: 1.0649412602633017
Energy: 1.0838123334580938
Energy: 1.083390027175317
Energy: 1.3733678542369083
Energy: 1.0790106310928462
Energy: 1.0792552321107232
Energy: 1.0755951793678686
Energy: 1.0794374913460383
Energy: 1.0802939532587454
Energy: 1.2908073994545146
Energy: 1.0805775896245884
Energy: 1.078933249337379
Energy: 1.0758438670989665
Energy: 1.079600025756151
Energy: 1.0754947305843046
Energy: 1.2911081868225245
Energy: 1.0835807948229992
Energy: 1.0843364665583806
Energy: 1.0917187062696692
Energy: 1.083485307543579
Energy: 1.0984994535655732
Energy: 1.5246861610738296
Energy: 1.0822470573989684
Energy: 1.0807263093783668
Energy: 1.0949939499657277
Energy: 1.0795134921248393
Energy: 1.0802605714433555
Energy: 1.5196867957070215
Energy: 1.0988059906096324
Energy: 1.1015268536277854
Energy: 1.1069613757460421
Energy: 1.073269570894715
Energy: 1.1061018540268532
Energy: 1.9081326419508244
Energy: 1.0958700253486022
Energy: 1.096250449770905
Energy: 1.097184707069346
Energy: 1.094045515850145
Energy: 1.09666191161141
Energy: 2.080630759277224
Energy: 1.078467348042634
Energy: 1.0730273775755332
Energy: 1.0728552657158177
Energy: 1.0962191382979258
Energy: 1.0726809827251724

minimum gb energy = 1.0649412602633017 eV
minimum distance =  2.33225106889498 Angstroms
sigma value = 51


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

Energy: 2.2276624369027127
Energy: 1.1098095420822163
Energy: 1.1124335365803908
Energy: 1.1669229024473626
Energy: 1.2215228024643483
Energy: 1.1535350358008352
Energy: 1.802332688540727
Energy: 1.1205941723931752
Energy: 1.1206649946717693
Energy: 1.0901823795879364
Energy: 1.1204778647117681
Energy: 1.096804076446044
Energy: 1.829130555137408
Energy: 1.1207860444111613
Energy: 1.140691531980687
Energy: 1.0861153056849524
Energy: 1.1209998057689825
Energy: 1.0978488900903425
Energy: 1.8290399103205666
Energy: 1.136552788400128
Energy: 1.1365119535607167
Energy: 1.1310805650372047
Energy: 1.1204728802479904
Energy: 1.1307559257362234
Energy: 1.684153837704969
Energy: 1.1308238267435855
Energy: 1.1306628007589872
Energy: 1.126860166216522
Energy: 1.1187682846877691
Energy: 1.0951473434248582
Energy: 1.506991397651075
Energy: 1.1355105951391362
Energy: 1.113742390600389
Energy: 1.1275848241640531
Energy: 1.1377434534786177
Energy: 1.1067220249274246
Energy: 1.5068031722509514
Energy: 1.0706318632674332
Energy: 1.0703197566918403
Energy: 1.1278456783370696
Energy: 1.0701718146506027
Energy: 1.0719474204556987
Energy: 1.6205474971690885
Energy: 1.1398154314430915
Energy: 1.1384871388148745
Energy: 1.1212944791549762
Energy: 1.1088946533125055
Energy: 1.144766672233816
Energy: 1.1217519268005585
Energy: 1.1334175230469803
Energy: 1.137475402692475
Energy: 1.1215635209887727
Energy: 1.1475131751254373
Energy: 1.097044590575675
Energy: 1.120923978846835
Energy: 1.0944211920503226
Energy: 1.0868254993466486
Energy: 1.1207444777322897
Energy: 1.0775379212057352
Energy: 1.0873695210601753
Energy: 1.2610716099298653
Energy: 1.1346666861335915
Energy: 1.0744996011761392
Energy: 1.26077274994301
Energy: 1.12405997428921
Energy: 1.074442435418062
Energy: 1.2875995658563981
Energy: 1.0947267022529799
Energy: 1.0855418738309226
Energy: 1.1081448537866552
Energy: 1.0755207763176078
Energy: 1.072656515920646
Energy: 1.228496668865578
Energy: 1.1330521165096126
Energy: 1.1403805320952036
Energy: 1.1072163199451603
Energy: 1.1395012872097519
Energy: 1.1396281176311054
Energy: 1.224946973313415
Energy: 1.1207019761643522
Energy: 1.130871855436287
Energy: 1.1986396926030685
Energy: 1.1213858856001058
Energy: 1.126053171982661
Energy: 1.6509340347450385
Energy: 1.137531973320378
Energy: 1.137970075728409
Energy: 1.1340942807659535
Energy: 1.1375028605163695
Energy: 1.1377850923314974
Energy: 1.6512239462333789
Energy: 1.1001714820565625
Energy: 1.1254804212695309
Energy: 1.1474744301989752
Energy: 1.10058598285282
Energy: 1.1382639563852894
Energy: 1.8655881027418217
Energy: 1.1021401777329354
Energy: 1.0999467656426256
Energy: 1.160636657785133
Energy: 1.0996853045820236
Energy: 1.0937928140114943
Energy: 2.0053417016246207
Energy: 1.1082359753622182
Energy: 1.1191842781091275
Energy: 1.1389570904514348
Energy: 1.1082552717627758
Energy: 1.119148900019363

minimum gb energy = 1.0701718146506027 eV
minimum distance =  2.32776608490442 Angstroms
sigma value = 19


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

Energy: 1.8775974255092729
Energy: 1.0677017223432606
Energy: 1.0674131505195272
Energy: 1.252975964242734
Energy: 1.0293089157066329
Energy: 1.2529256070392514
Energy: 1.725846621371004
Energy: 1.0429786299644792
Energy: 1.0429009087553067
Energy: 1.1570216994690432
Energy: 1.0432701169327083
Energy: 1.0429490071728547
Energy: 1.7107259162403032
Energy: 1.043253664269803
Energy: 1.0431763997033878
Energy: 1.1574889378360096
Energy: 1.043224583259718
Energy: 1.1104380937560308
Energy: 1.4080721913825576
Energy: 1.0431406941734307
Energy: 1.0430642652503241
Energy: 1.1407834799901135
Energy: 1.0430982388382595
Energy: 1.0430667755235654
Energy: 1.7101947761143872
Energy: 1.1103264746233312
Energy: 1.1104528158866918
Energy: 1.1034184796761677
Energy: 1.1103379387114456
Energy: 1.1102662084841555
Energy: 1.4110033151549637
Energy: 1.021281964402323
Energy: 1.0716373158937424
Energy: 1.1108356443960659
Energy: 1.021291371716609
Energy: 1.0711082249176929
Energy: 1.4110803809540913
Energy: 1.1026503222206727
Energy: 1.1027697491618227
Energy: 1.1104882770578153
Energy: 1.102362890748346
Energy: 1.0721633758164208
Energy: 1.3718248452817117
Energy: 1.1130382653691406
Energy: 1.1129191186922762
Energy: 1.0428146138961787
Energy: 1.1797892903400067
Energy: 1.0214790678246646
Energy: 1.0432578586673609
Energy: 1.1451494388466281
Energy: 1.0933896147863722
Energy: 1.0431641310093038
Energy: 1.1695368426801773
Energy: 1.0935228915550035
Energy: 1.0432456245432804
Energy: 1.1575162040781177
Energy: 1.1101506365710463
Energy: 1.0432132650313206
Energy: 1.1574716172496307
Energy: 1.0429968675531027
Energy: 1.042400269511908
Energy: 1.1406059760708758
Energy: 1.1400726679710897
Energy: 1.0427261845336775
Energy: 1.1403624472925058
Energy: 1.0427916125418106
Energy: 1.3715690762783268
Energy: 1.1571919227794274
Energy: 1.110108806869138
Energy: 1.1103409663052735
Energy: 1.1574953221461504
Energy: 1.110367493229605
Energy: 1.021495995505689
Energy: 1.1101189926892399
Energy: 1.0713978302430447
Energy: 1.0240171531831408
Energy: 1.1107364692052193
Energy: 1.071558468797135
Energy: 1.3703917402282964
Energy: 1.1434919294586798
Energy: 1.1449275497124356
Energy: 1.1100266784853283
Energy: 1.1438435443569384
Energy: 1.1026712133946124
Energy: 1.7869739904043052
Energy: 1.1099519208057598
Energy: 1.1098750508576387
Energy: 1.145252032454434
Energy: 1.110263301371209
Energy: 1.0933279374433242
Energy: 1.785047548614366
Energy: 1.0428425144147886
Energy: 1.0214212926708235
Energy: 1.180388923177831
Energy: 1.0427766235148963
Energy: 1.0214218555186863
Energy: 1.709666432543135
Energy: 1.0431579341800505
Energy: 1.0429201264931864
Energy: 1.1573916105509148
Energy: 1.043165986236445
Energy: 1.0429813964987744
Energy: 1.4087301999625794
Energy: 1.0432128726898826
Energy: 1.043164753388896
Energy: 1.1289148710419068
Energy: 1.0431326285048268
Energy: 1.043102523461005
Energy: 1.4079301736345275
Energy: 1.1103817550957351
Energy: 1.1104012540098018
Energy: 1.1307562555190955
Energy: 1.0429732506332137
Energy: 1.1103415957714666
Energy: 1.7109018449271334
Energy: 1.021301281927021
Energy: 1.071727390298153
Energy: 1.1031830684110797
Energy: 1.0212957393192246
Energy: 1.0713289778521025
Energy: 1.4111131750993613
Energy: 1.1107991066339802
Energy: 1.1099526199492942
Energy: 1.1438962032003475
Energy: 1.1103380302213313
Energy: 1.1439386722757314
Energy: 1.4111638477989032
Energy: 1.1573818427182514
Energy: 1.1098671978239212
Energy: 1.1104246461406817
Energy: 1.1574657276230067
Energy: 1.1099173008833902
Energy: 1.3733453026106137
Energy: 1.1795659373714074
Energy: 1.2534669368883704
Energy: 1.149415344961071
Energy: 1.17918459949302
Energy: 1.2536880623867508
Energy: 1.0432859044923937
Energy: 1.1571595003416448
Energy: 1.0430046033808003
Energy: 1.0432524727143235
Energy: 1.1447246778054232
Energy: 1.0429344732285464
Energy: 1.0432969084463406
Energy: 1.1101427572737643
Energy: 1.110321734033224
Energy: 1.043324414237537
Energy: 1.1573669516720035
Energy: 1.042974904583193
Energy: 1.371732638060339
Energy: 1.1412342462576641
Energy: 1.1296739851669912
Energy: 1.0430745311293206
Energy: 1.1420159940005674
Energy: 1.0430499126576431
Energy: 1.371860248260095
Energy: 1.1575525905661868
Energy: 1.1101931712189552
Energy: 1.111028348244127
Energy: 1.1574730558089024
Energy: 1.1102922034451481
Energy: 1.0213293932979968
Energy: 1.142871309660569
Energy: 1.0716282223283753
Energy: 1.021369786441446
Energy: 1.1435226982520061
Energy: 1.070870054829583
Energy: 1.6298066503824222
Energy: 1.1101793140541774
Energy: 1.0719082460585088
Energy: 1.1026947667138993
Energy: 1.1102586016378484
Energy: 1.0713500667976308
Energy: 1.786285103425321
Energy: 1.0426223677797861
Energy: 1.0214485420771209
Energy: 1.1701963629144299
Energy: 1.0430150438085648
Energy: 1.0215974228642393

minimum gb energy = 1.021281964402323 eV
minimum distance =  2.39184196517699 Angstroms
sigma value = 27


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

Energy: 1.5316118185519818
Energy: 1.3261917715087732
Energy: 1.364374860854464
Energy: 1.0701539414991081
Energy: 1.1671748527330117
Energy: 1.364324300610971
Energy: 1.1138127454046263
Energy: 1.1182213312879314
Energy: 1.1187698017156154
Energy: 1.0167204140228556
Energy: 1.1180681302582656
Energy: 1.1400359804551292
Energy: 1.2671098615640444
Energy: 1.1189967021107572
Energy: 1.1192289993829967
Energy: 1.019006290966172
Energy: 1.119748152710789
Energy: 0.9956524517807445
Energy: 1.6711499485539572
Energy: 1.0683457792548567
Energy: 0.9892663918833042
Energy: 1.2218500124278655
Energy: 1.117072342669369
Energy: 0.9992003582471
Energy: 1.397582027646192
Energy: 1.1263770321610815
Energy: 1.118529125821262
Energy: 1.0859781760974958
Energy: 1.1298869141596057
Energy: 1.0898263767642744
Energy: 1.1666526334234928
Energy: 1.043261827792981
Energy: 1.050160415446177
Energy: 1.166748046986878
Energy: 1.0527756400493593
Energy: 1.0443197225815253
Energy: 1.118691555093372
Energy: 0.9234758556450524
Energy: 0.9951418097535555
Energy: 1.1187402826230175
Energy: 1.0179833137250869
Energy: 0.9946527289758597
Energy: 1.3569450918491108
Energy: 0.975839853948657
Energy: 0.9762696394271114
Energy: 1.3571466003258488
Energy: 0.9820625187306798
Energy: 0.9889284838299556
Energy: 1.353632403821414
Energy: 1.0176267827781302
Energy: 0.9222562674163027
Energy: 1.082619454855067
Energy: 1.0195009240261084
Energy: 0.9950221914573172
Energy: 1.0199258503509532
Energy: 1.071753683654495
Energy: 1.0733571767254664
Energy: 1.0777593131168723
Energy: 1.093349840858993
Energy: 1.068206852924544
Energy: 1.2662816559432033
Energy: 1.0618568542048819
Energy: 1.0532259961782249
Energy: 1.0836255514407689
Energy: 1.0578402274936722
Energy: 1.052042881578142
Energy: 1.1138127788545606
Energy: 1.0826004605085144
Energy: 1.0841543801904725
Energy: 1.1013228198707452
Energy: 1.0825245986069263
Energy: 1.1080306543233553

minimum gb energy = 0.9222562674163027 eV
minimum distance =  2.3300843853466 Angstroms
sigma value = 9


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

Energy: 2.5564623494093794
Energy: 1.2968064093677514
Energy: 1.2048055093421366
Energy: 1.1881676539084347
Energy: 2.1721114835759594
Energy: 1.0383388047414899
Energy: 1.282064719956305
Energy: 0.9918571795760921
Energy: 0.9984137073601382
Energy: 0.9199770372905007
Energy: 0.9920185695731374
Energy: 0.9779762095853719
Energy: 1.4544221547314076
Energy: 1.0009059213141007
Energy: 1.004665580625704
Energy: 1.0892492717959512
Energy: 1.0043538001653087
Energy: 0.957576549497918
Energy: 1.4534340824419147
Energy: 0.958589229310872
Energy: 0.9420520031324379
Energy: 1.0612080113715545
Energy: 0.9593235301032151
Energy: 0.9375432893419026
Energy: 1.4416229522371735
Energy: 0.9514078626019988
Energy: 0.9360139431041719
Energy: 1.0336557273016322
Energy: 0.9731312923355724
Energy: 0.9274773506586681
Energy: 1.287727874285189
Energy: 0.9233579696441119
Energy: 0.9886233254937983
Energy: 1.288053639608141
Energy: 0.9232573094291653
Energy: 0.9824661457875528
Energy: 1.013907767851536
Energy: 0.9462257725649424
Energy: 0.98469335043884
Energy: 1.0148477264232594
Energy: 0.9321710441945228
Energy: 1.0336800349924993
Energy: 1.119668407239431
Energy: 0.9222512084923217
Energy: 1.0141743788846442
Energy: 1.119864931519381
Energy: 0.9290582169330057
Energy: 1.0253426510465342
Energy: 1.4026757458572756
Energy: 0.9853129559461552
Energy: 0.942068022522349
Energy: 1.0409466253200261
Energy: 0.9911151374611281
Energy: 0.9692949446166303
Energy: 1.6747197738987913
Energy: 1.0485877902266403
Energy: 0.966789799760658
Energy: 1.1532276483342427
Energy: 1.0814272442855177
Energy: 1.020934078027221
Energy: 1.6763362614974697
Energy: 1.0483922502106868
Energy: 1.0504854873937515
Energy: 0.9354326046403307
Energy: 1.0454253033532133
Energy: 1.0120146186046104
Energy: 1.3244065094869675
Energy: 1.0138594730105006
Energy: 1.0368505351342134
Energy: 0.9666157616065184
Energy: 1.013932155780002
Energy: 0.937440680319827
Energy: 1.3688201419169868
Energy: 1.439452007102871
Energy: 1.1346035571342976
Energy: 1.094406875828329
Energy: 1.3161185578246986
Energy: 1.1233314651687618
Energy: 1.3238717211488533
Energy: 1.0193465419519856
Energy: 0.9369028653660921
Energy: 0.9667979963574241
Energy: 1.0212497055738967
Energy: 0.9574364000448738
Energy: 1.0033867287301144
Energy: 0.9182101693726001
Energy: 0.9234235806124953
Energy: 1.003367047630361
Energy: 0.9131646082113889
Energy: 0.9752964135987446
Energy: 0.9917483912329152
Energy: 0.9473451424994462
Energy: 0.9435995860176535
Energy: 0.9933371056915306
Energy: 1.015053983287254
Energy: 0.990588860527405
Energy: 0.9917794003336458
Energy: 0.9267150918582135
Energy: 0.9433282303821657
Energy: 0.9918026694920766
Energy: 0.9463138745885121
Energy: 0.9390782269978895
Energy: 1.512586226668905
Energy: 0.9318765735559135
Energy: 0.9552635922708766
Energy: 1.2561112679097435
Energy: 0.9347856543086299
Energy: 1.1220469240970143
Energy: 1.140947623929372
Energy: 0.9626814415115004
Energy: 0.9652294902885626
Energy: 1.0011060068055089
Energy: 0.9335552008949211
Energy: 0.9650420841631935
Energy: 1.085479095950115
Energy: 0.9290815570494909
Energy: 0.9266921157917906
Energy: 0.9504703824007774
Energy: 0.9494135738900624
Energy: 0.946657002176856
Energy: 1.3233282077693236
Energy: 0.930061031356577
Energy: 0.9483003450976174
Energy: 0.9794367353652863
Energy: 0.9856519602988568
Energy: 0.9471814850053273
Energy: 1.668395894173518
Energy: 1.2381196449285787
Energy: 0.9729301190946936
Energy: 0.9883036428603384
Energy: 1.2320879243403802
Energy: 1.166762169865554
Energy: 1.2266741950681053
Energy: 0.9921599059618748
Energy: 0.9667171648310822
Energy: 0.9639629772104111
Energy: 0.9911574613810333
Energy: 0.9345781898413783
Energy: 1.3245835023674812
Energy: 0.9944987478537496
Energy: 0.9975159480023997
Energy: 1.0197679443108025
Energy: 0.9930662968526441
Energy: 0.9796554963887448
Energy: 1.4588717629282635
Energy: 0.9930345883524214
Energy: 0.9897746748128823
Energy: 0.9887195864530813
Energy: 1.0099318693100876
Energy: 0.975858980484448
Energy: 1.3065015351907874
Energy: 0.9886687984385363
Energy: 0.9892666302211525
Energy: 1.0317774032679978
Energy: 0.9898622564529321
Energy: 0.9563452170080118
Energy: 1.571564460462827
Energy: 1.1081049558963472
Energy: 1.1026317043988925
Energy: 1.4356132843503608
Energy: 1.0058487820486013
Energy: 0.9886850940548301
Energy: 1.033541665500328
Energy: 0.9281275757114277
Energy: 0.9357676318559269
Energy: 1.0333288839846881
Energy: 0.9575963682166699
Energy: 1.0347446187909173
Energy: 1.0505669901497185
Energy: 1.0094923650852683
Energy: 1.0087720448501747
Energy: 1.0512942506882856
Energy: 0.9847047532410899
Energy: 1.0248331703609308
Energy: 1.1609273547743932
Energy: 0.9191281916400135
Energy: 1.0132156911497914
Energy: 1.1244579242595305
Energy: 0.9249010442284311
Energy: 1.0129739236745283
Energy: 1.6779474652736481
Energy: 1.0120546833737996
Energy: 0.9802971885665528
Energy: 1.0116734824793991
Energy: 0.9919874904583575
Energy: 0.9798835763365144
Energy: 1.6769521572536776
Energy: 1.134848344454134
Energy: 1.1170664081699642
Energy: 1.1532514688977549
Energy: 1.1196843922359556
Energy: 1.0821834771420327
Energy: 1.324884359393327
Energy: 1.0138421203005403
Energy: 1.036376623938534
Energy: 0.9581707419449376
Energy: 1.0172104938568347
Energy: 0.9835915142636432
Energy: 1.6731135688193801
Energy: 1.2106476021886208
Energy: 1.124947375834686
Energy: 1.079651478073248
Energy: 1.2040043242208938
Energy: 1.1419951847995258
Energy: 1.5241164368743076
Energy: 0.976679361354924
Energy: 0.9421394805631422
Energy: 0.9973696057210515
Energy: 1.0138481346962156
Energy: 0.95084837412989
Energy: 1.1740975257428434
Energy: 0.9323174311496308
Energy: 0.9754342072541409
Energy: 1.0036296615495512
Energy: 0.9237924848796065
Energy: 0.9775431367612021
Energy: 1.0034167602243584
Energy: 1.0008078824963653
Energy: 0.9961581463468653
Energy: 1.0053140572278254
Energy: 0.9737286668858806
Energy: 0.9993053564730232
Energy: 0.9921222172202149
Energy: 0.9337859209717516
Energy: 0.9586741313879236
Energy: 0.9917851151971677
Energy: 0.9195363424052181
Energy: 1.021339463527626
Energy: 1.319071031736551
Energy: 1.3064535974177898
Energy: 1.194749065495161
Energy: 1.3193454479615667
Energy: 1.1023244315610479
Energy: 0.9625279788654966
Energy: 1.1408130975597097
Energy: 0.9599490662033799
Energy: 0.9763299568434284
Energy: 1.0003553241567738
Energy: 0.9455582234600609
Energy: 0.9763879887033774
Energy: 1.0885015113082874
Energy: 0.9242017446554535
Energy: 0.9466565120684292
Energy: 0.9504127178074925
Energy: 0.9451251299955391
Energy: 0.9277108186488429
Energy: 1.1414747349022494
Energy: 0.9310890627549959
Energy: 0.9442301317581655
Energy: 1.0412908109276904
Energy: 0.9501084192803082
Energy: 0.9442995893045134
Energy: 1.3538667875552397
Energy: 0.9398863770710734
Energy: 0.9226417418934847
Energy: 0.9835207173149559
Energy: 0.9909883199129189
Energy: 0.9152077914757019

minimum gb energy = 0.9131646082113889 eV
minimum distance =  2.36962220011896 Angstroms
sigma value = 57


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

Energy: 0.6210225168385825
Energy: 0.5590232514773054
Energy: 0.5539441450045792
Energy: 0.6235452221890943
Energy: 1.7445973389329261
Energy: 0.5517407177037531
Energy: 0.6216711505900515
Energy: 0.5597816375158028
Energy: 0.5580546930056891
Energy: 0.6179100321848844
Energy: 0.6039185768183934
Energy: 0.5576390913682459
Energy: 0.7005329097696725
Energy: 0.564424673832594
Energy: 0.5586760689031349
Energy: 0.5650916488043107
Energy: 0.6295721685964276
Energy: 0.5576902075485285
Energy: 0.7005927111795456
Energy: 0.5659060314073362
Energy: 0.5591518279484587
Energy: 0.5647707008291811
Energy: 0.6293647419474198
Energy: 0.5585946922291465
Energy: 0.6977119602662301
Energy: 0.5528817402231295
Energy: 0.5572514666334824
Energy: 0.6288357868473627
Energy: 0.5973330449191931
Energy: 0.5584777967094402
Energy: 0.6599133921237608
Energy: 0.552248564651907
Energy: 0.5547898151366745
Energy: 0.6025102333377503
Energy: 0.6225177063380989
Energy: 0.5553608740603595
Energy: 0.6565541349369127
Energy: 0.5635736084980091
Energy: 0.5624274391004311
Energy: 0.6167506677410507
Energy: 0.5640269548384201
Energy: 0.5570898807295437
Energy: 1.2201848138296643
Energy: 0.5647165873377907
Energy: 0.5635305114115213
Energy: 1.1895345582886019
Energy: 0.5654186090063849
Energy: 1.1883394876280153
Energy: 0.6973473817653123
Energy: 0.5610974614229093
Energy: 0.560107950170148
Energy: 0.6290099862314728
Energy: 0.5604967942662852
Energy: 0.5628091459805787
Energy: 0.6214033066646245
Energy: 0.5609828472417845
Energy: 0.5529405905550845
Energy: 0.6214149228219213
Energy: 0.5656113020403123
Energy: 0.5534709345474826
Energy: 0.6214288387394485
Energy: 0.5594940602701192
Energy: 0.5580742811148056
Energy: 0.6214885381710531
Energy: 0.6021428036527111
Energy: 0.5547146055487371
Energy: 0.6993535035571483
Energy: 0.5594143899223092
Energy: 0.557459930855149
Energy: 0.5595314960135057
Energy: 0.6289675214148974
Energy: 0.5574268301107841
Energy: 2.184981724361483
Energy: 1.1925012656745548
Energy: 1.1937549789104684
Energy: 0.5731015676066453
Energy: 1.195577394831299
Energy: 0.5730059579924631
Energy: 0.6982827573594074
Energy: 0.5651878899675963
Energy: 0.5582674730086953
Energy: 0.5602166661773683
Energy: 0.6189383012740944
Energy: 0.5577402819073204
Energy: 0.7003352315737502
Energy: 0.5553258704974695
Energy: 0.5525448017596342
Energy: 0.606877058167187
Energy: 0.6280971000100812
Energy: 0.5530365311379425
Energy: 0.6594130309234804
Energy: 0.5593034044738501
Energy: 0.5581720081944407
Energy: 0.6041681624887356
Energy: 0.6013866928091498
Energy: 0.5583193697954977
Energy: 0.6597340082888958
Energy: 0.5592299221575802
Energy: 0.5579749650177342
Energy: 0.6292767476937857
Energy: 0.5597782374787824
Energy: 0.5584816981672031
Energy: 1.2284663330341763
Energy: 0.5644023709074727
Energy: 0.5597451865369399
Energy: 1.1930023422512819
Energy: 0.5653265221386543
Energy: 0.5590976607833068
Energy: 0.6215270098889799
Energy: 0.5640620507362352
Energy: 0.5632591262107467
Energy: 0.6216092580710739
Energy: 0.5654908015843907
Energy: 0.559399636997386

minimum gb energy = 0.5517407177037531 eV
minimum distance =  2.43248777270936 Angstroms
sigma value = 11


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

Energy: 2.0026716534972397
Energy: 1.525048745334543
Energy: 1.6295016455858045
Energy: 1.2217576360319167
Energy: 1.4953783120072863
Energy: 1.620788284032802
Energy: 0.8751998727354626
Energy: 0.8543284223639838
Energy: 0.8379191671501867
Energy: 0.8347201662069184
Energy: 0.8987369638382869
Energy: 0.8375206451328948
Energy: 0.8605366759477423
Energy: 0.776094832808317
Energy: 0.7705471029309834
Energy: 0.7814943793698845
Energy: 0.7707684216728056
Energy: 0.773032411235793
Energy: 0.8604733265779987
Energy: 0.7677470010705325
Energy: 0.7650198927921296
Energy: 0.8112583913723265
Energy: 0.7648871496096002
Energy: 0.7640029225528641
Energy: 1.0113759614863553
Energy: 0.9121457115341146
Energy: 0.906409104261967
Energy: 1.011288089834218
Energy: 0.9116210422458652
Energy: 0.8407445073256312
Energy: 1.555841542280907
Energy: 1.0472774580529696
Energy: 1.0255355376865367
Energy: 1.485742702944145
Energy: 1.0791074755201937
Energy: 1.3150821855664236
Energy: 1.1443090750634672
Energy: 0.8842129862745179
Energy: 0.8468640887727151
Energy: 0.8594916348476418
Energy: 0.8865482368254005
Energy: 0.8474077650213307
Energy: 0.8921873447078364
Energy: 0.9285749771478465
Energy: 0.9009647894576833
Energy: 0.7719035297704195
Energy: 0.9325348157449602
Energy: 0.8917410353088315
Energy: 1.15517290254205
Energy: 0.8389319692535284
Energy: 0.8486292478204337
Energy: 0.8434732456283937
Energy: 0.847992647848624
Energy: 0.8394923061153806
Energy: 1.5016050544013795
Energy: 1.4679854612973648
Energy: 1.4242339782243865
Energy: 0.9257315569036417
Energy: 1.4661331407550462
Energy: 1.0219450770861138
Energy: 1.5148983166199181
Energy: 1.0314044126659818
Energy: 0.9104544468288748
Energy: 0.9043361702070309
Energy: 1.1482157842060596
Energy: 0.9074281661606495
Energy: 1.3583471142714476
Energy: 0.9731094958217192
Energy: 0.9634810530691093
Energy: 1.139552878274141
Energy: 0.7734578642294235
Energy: 1.014104452128652
Energy: 1.1122774963437418
Energy: 0.9868446314906264
Energy: 1.016940668276332
Energy: 1.1139767858031624
Energy: 1.0690751207009421
Energy: 1.0151914530445145
Energy: 1.128171002058571
Energy: 0.8995657822834336
Energy: 0.8977931199005181
Energy: 1.1297465577080639
Energy: 0.8988996809620373
Energy: 0.8974897766534058
Energy: 1.30059088149432
Energy: 1.2064326409030066
Energy: 1.1195058404727298
Energy: 1.3008186772194308
Energy: 1.1955906740909301
Energy: 1.2377254972614755
Energy: 1.467556340685326
Energy: 0.9064790801266223
Energy: 0.9029562175272609
Energy: 1.122056874314679
Energy: 0.910966063996963
Energy: 0.8995888522381124
Energy: 1.4479345295769206
Energy: 1.3303089368864887
Energy: 1.2185063531368998
Energy: 1.0690154531140597
Energy: 1.3323547616901334
Energy: 1.221179831096392
Energy: 1.5100539470489065
Energy: 0.9634222868960168
Energy: 0.903893020270733
Energy: 0.9081325764758221
Energy: 1.133688439073405
Energy: 0.9046814981826498
Energy: 1.4542780806257876
Energy: 1.0116863858743634
Energy: 0.9573322932182313
Energy: 0.8431456730498067
Energy: 1.0681304233246312
Energy: 0.931992869272223
Energy: 1.1683140502360954
Energy: 1.1074463781224446
Energy: 1.1148028442076925
Energy: 0.9357389690729816
Energy: 1.1323440711759736
Energy: 1.1099829632745741
Energy: 1.4690876744704993
Energy: 0.9048615731719093
Energy: 0.9026126543240535
Energy: 0.9900472617188466
Energy: 0.9032785331766929
Energy: 0.9029683458815612
Energy: 1.4445258519841266
Energy: 1.3953171622295024
Energy: 1.1403773916599302
Energy: 1.4448060110600136
Energy: 1.2172883492442486
Energy: 1.2243399494386171
Energy: 1.145430208935363
Energy: 0.9038061936834761
Energy: 0.9023985918459216
Energy: 0.979227278382928
Energy: 0.9069186235883508
Energy: 0.9028102206308067
Energy: 0.938690371048866
Energy: 0.8896792016552122
Energy: 0.8952321663970291
Energy: 0.9391650016093298
Energy: 0.7982205590022747
Energy: 0.8920502769592431
Energy: 1.0535145434180848
Energy: 0.8694806511265212
Energy: 0.8557063996990586
Energy: 0.8972654024790007
Energy: 0.7795568450003907
Energy: 0.8863314862011843
Energy: 1.4868381011356886
Energy: 0.898972487285564
Energy: 0.8415955828304766
Energy: 0.8998045823151727
Energy: 1.0123726158362014
Energy: 0.9122521474502403

minimum gb energy = 0.7640029225528641 eV
minimum distance =  2.31984542856408 Angstroms
sigma value = 41


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

Energy: 1.8466093314107241
Energy: 1.5891363716662552
Energy: 1.83330167449652
Energy: 1.5528173321356162
Energy: 1.3908944878437262
Energy: 1.4538951670803315
Energy: 0.9389124499878325
Energy: 0.9432820507662658
Energy: 0.9395161392936722
Energy: 0.935891044288175
Energy: 1.1106207245899091
Energy: 0.9341012878136399
Energy: 0.911650379597082
Energy: 0.8122042994747296
Energy: 0.8113385031258316
Energy: 0.8115432486785925
Energy: 0.8113140149543946
Energy: 0.8115414241245192
Energy: 0.921549397664101
Energy: 0.8082569403503933
Energy: 0.8082659566962582
Energy: 0.9118343879251241
Energy: 0.8118585326588394
Energy: 0.8106121996833465
Energy: 1.113031894796036
Energy: 1.0685560018328077
Energy: 1.0577563907878806
Energy: 1.1129320609407114
Energy: 1.0746588620019992
Energy: 0.9364545456883341
Energy: 1.5406790417523075
Energy: 1.2292029698029712
Energy: 1.212105488903327
Energy: 1.4272939972458647
Energy: 1.1964686880028526
Energy: 1.2557406425935151
Energy: 1.3178133686684013
Energy: 0.9358424840893528
Energy: 0.9353595807248126
Energy: 1.0115887843651035
Energy: 0.9998059588330229
Energy: 0.9377917461572453
Energy: 0.9365636968783174
Energy: 1.014866461299629
Energy: 1.0109474188987453
Energy: 0.8133093604798438
Energy: 1.0278886521269677
Energy: 0.8222621418544651
Energy: 1.3055297551618785
Energy: 0.9360530820897383
Energy: 0.9347009399705806
Energy: 0.9455193864564961
Energy: 0.9397790481696476
Energy: 0.9451007169687934
Energy: 0.9816371754679695
Energy: 1.3430188387287765
Energy: 1.342979370591294
Energy: 1.0019246048137083
Energy: 1.3350319242248838
Energy: 1.2128431606404122
Energy: 0.9831186755051642
Energy: 1.212834714618379
Energy: 1.1487802871664792
Energy: 0.9216256851452971
Energy: 1.250436419859895
Energy: 1.0620298922001974
Energy: 1.6331850418972842
Energy: 1.0644020377110734
Energy: 1.1446629649533977
Energy: 1.2953679554917985
Energy: 0.8100583990478482
Energy: 1.1477857709436514
Energy: 1.3866585455162275
Energy: 1.2144425656777649
Energy: 1.2141909001799724
Energy: 1.387922900746202
Energy: 1.0694987940048182
Energy: 1.214267357738274
Energy: 1.0262897018756338
Energy: 0.9372742709123263
Energy: 0.9377152660591552
Energy: 1.0273035106136656
Energy: 0.9417724345994175
Energy: 0.9351354776492021
Energy: 1.0630016823163477
Energy: 1.0313939513963795
Energy: 1.0261620031209429
Energy: 1.0655891232978536
Energy: 1.0184792653473513
Energy: 1.0303236178986404
Energy: 0.9027854042271193
Energy: 0.9431530215979707
Energy: 0.938627018216376
Energy: 0.9991334500373352
Energy: 0.9386137729306555
Energy: 0.9374715121119627
Energy: 1.8173652640656206
Energy: 1.1583332077001596
Energy: 1.4796835992966588
Energy: 1.2157530997753077
Energy: 1.1939647202272199
Energy: 1.4385223467443753
Energy: 0.9366696950590858
Energy: 1.0133854694976805
Energy: 0.9398792675992917
Energy: 1.058604633438866
Energy: 1.1034404237654327
Energy: 1.0573355174226673
Energy: 0.9032040200375948
Energy: 0.811629926684434
Energy: 0.8082162382191451
Energy: 0.8120708572989787
Energy: 0.8114582674011739
Energy: 0.8101450297196655
Energy: 0.9115991153839171
Energy: 0.8114478496182128
Energy: 0.8139090782130338
Energy: 0.8561161737859531
Energy: 0.8116172553266717
Energy: 0.811708282246263
Energy: 1.1110654107669204
Energy: 0.9327292203047715
Energy: 0.9348167867437066
Energy: 1.1109512489419622
Energy: 0.936148783744153
Energy: 0.9419993263529991
Energy: 1.5582621282055518
Energy: 1.4127608880951759
Energy: 1.3668976256835896
Energy: 1.5583364659397558
Energy: 1.2607630363158016
Energy: 1.3669725526260932
Energy: 1.3054842662082922
Energy: 0.9373769444219866
Energy: 0.9354008115673073
Energy: 1.1106718499996682
Energy: 1.0030015373198566
Energy: 0.9408031683286163
Energy: 0.9366045462318515
Energy: 1.0145817882618362
Energy: 1.0103402806947657
Energy: 0.8105256987792886
Energy: 1.0345066158187086
Energy: 0.8089773109939167
Energy: 1.3175665763068733
Energy: 1.0023860954853863
Energy: 0.9352993575756575
Energy: 0.9408743723405482
Energy: 1.033579967402938
Energy: 0.9379262753024138
Energy: 0.980878080585294
Energy: 1.2125551527140617
Energy: 1.2143880569431067
Energy: 0.8569283170326953
Energy: 1.2407855210364767
Energy: 1.0620970625652817
Energy: 0.981969870317973
Energy: 1.3438816355004048
Energy: 1.2130724731314508
Energy: 0.8567534599772028
Energy: 1.3342696111569143
Energy: 1.2340160276912808
Energy: 1.3064101478275307
Energy: 1.0643610461719168
Energy: 1.0618338160650733
Energy: 1.2391208095594262
Energy: 0.9371261032770042
Energy: 1.062655184284238
Energy: 1.3862138280529481
Energy: 1.2144904906390075
Energy: 1.3222144377311211
Energy: 1.3858239955837575
Energy: 1.2657994722363064
Energy: 1.3224586224672097
Energy: 1.2693795177722038
Energy: 0.9337845391306882
Energy: 1.0614578932979646
Energy: 1.1689256949627835
Energy: 0.9411898473261877
Energy: 1.0610982282230397
Energy: 1.0373321057162697
Energy: 1.0152381466568072
Energy: 1.0124952489050922
Energy: 1.0385706094203668
Energy: 1.0576577579275455
Energy: 1.0146463771934364
Energy: 1.2106443369488968
Energy: 0.9432923213285179
Energy: 0.9358889740863476
Energy: 1.012221714059439
Energy: 0.9451616934102899
Energy: 0.9362178712965651
Energy: 1.0527778522161506
Energy: 1.0133418323774461
Energy: 1.2007637420962973
Energy: 0.8826898973999846
Energy: 1.1992924053057212
Energy: 1.2019698137324508

minimum gb energy = 0.8082162382191451 eV
minimum distance =  2.3234040439065 Angstroms
sigma value = 33


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

Energy: 1.379028622356094
Energy: 1.4488900117492287
Energy: 1.826609979361698
Energy: 0.9048179471352231
Energy: 1.2880809743519466
Energy: 1.8281028519221008
Energy: 1.4331922782298614
Energy: 1.045871994297063
Energy: 1.0445570885424822
Energy: 1.0482311013009251
Energy: 1.1714157509092038
Energy: 1.0415943721060665
Energy: 0.9684864992541753
Energy: 0.9100616412927104
Energy: 0.8927640577773267
Energy: 0.8866592938677915
Energy: 0.891667046007802
Energy: 0.8940040856668244
Energy: 0.9638603166635734
Energy: 0.8590347292128867
Energy: 0.861555362395965
Energy: 0.9648050012773547
Energy: 0.8892706515646692
Energy: 0.8797372529492438
Energy: 1.1799854740696998
Energy: 0.8808527364036742
Energy: 1.0426477141615131
Energy: 1.1684876475421888
Energy: 0.9095654135783915
Energy: 1.0483635429203129
Energy: 1.4186256349550184
Energy: 1.1212283366371953
Energy: 1.102296150989245
Energy: 1.2230256613126993
Energy: 0.8980634028746619
Energy: 1.1025813967976628
Energy: 1.4330795593202286
Energy: 1.0603493098640542
Energy: 1.053541235005703
Energy: 1.1791576943160564
Energy: 1.1011780657439318
Energy: 1.054144074000205
Energy: 1.010983360358987
Energy: 1.1800071477623806
Energy: 0.8930607627892837
Energy: 0.8933040315730392
Energy: 1.1803757687954777
Energy: 0.8946248081032132
Energy: 1.0132167891643593
Energy: 1.0591230893429886
Energy: 1.0407605839513414
Energy: 0.8603302058917092
Energy: 1.071966434316484
Energy: 0.8583915290676453
Energy: 1.4305737955419642
Energy: 1.1706522316859094
Energy: 1.1145288331611791
Energy: 0.8916012253805505
Energy: 1.1822862812191157
Energy: 1.113017881976543
Energy: 1.4305346572892403
Energy: 1.1199205269094974
Energy: 1.1159384065137132
Energy: 0.9632262331724142
Energy: 1.102408571844608
Energy: 1.0628677585298634
Energy: 1.417501816961462
Energy: 1.224920183773714
Energy: 1.224580257081172
Energy: 1.1714184185636611
Energy: 1.064278877355014
Energy: 1.3367722184341169
Energy: 1.2233834721942156
Energy: 1.2892438803906336
Energy: 1.3368735893688781
Energy: 1.2240683885089128
Energy: 1.0727856198763726
Energy: 1.3370238816968953
Energy: 0.9607074933961622
Energy: 0.8721628106100928
Energy: 0.8702872496208226
Energy: 0.9620482742597071
Energy: 0.8653318659196773
Energy: 0.8701513466147831
Energy: 0.9711114708532237
Energy: 0.8701199418088476
Energy: 0.8699596352186235
Energy: 0.9516920148530815
Energy: 0.9521820772137077
Energy: 0.9144623399382771
Energy: 0.9643289500640404
Energy: 0.8613626469766328
Energy: 0.8582897060986547
Energy: 0.8594714806531649
Energy: 0.9374731781964083
Energy: 0.8585647612881316
Energy: 1.6203278112630706
Energy: 1.221057448269774
Energy: 1.1162502583250176
Energy: 0.8981684182734664
Energy: 1.2226622861416976
Energy: 1.1218111199668148
Energy: 1.4315101375921937
Energy: 1.049318538304766
Energy: 1.0469128851683966
Energy: 0.9620635864484419
Energy: 1.1795913983354318
Energy: 1.0413337194357
Energy: 1.371824231605138
Energy: 0.8760444870989446
Energy: 0.8946286106055401
Energy: 1.1763373010953315
Energy: 0.855782041753243
Energy: 1.1061113651481174
Energy: 1.1779824686491709
Energy: 0.8917661387934622
Energy: 0.8957421839012394
Energy: 1.1788727832086163
Energy: 0.8558833357923432
Energy: 1.1157591242408647
Energy: 1.1227081449239118
Energy: 1.043607404296913
Energy: 1.04339377847094
Energy: 1.1239395426310126
Energy: 1.0456147143925594
Energy: 1.0424310117198388
Energy: 1.1845359441655747
Energy: 1.3815855545841427
Energy: 1.154379982749448
Energy: 1.1853751176471836
Energy: 1.382293530317737
Energy: 1.15467869836863
Energy: 1.3760783230538927
Energy: 1.047302850027728
Energy: 1.042237878034601
Energy: 1.107884740256331
Energy: 1.1144432902878456
Energy: 1.0413139581775466
Energy: 1.0107591593539982
Energy: 1.3467882731885743
Energy: 1.631903018416148
Energy: 1.3384588074705712
Energy: 1.1687821319744347
Energy: 1.582492611143861
Energy: 1.8436448977879463
Energy: 1.1028313344372118
Energy: 1.0447948150724216
Energy: 1.228798307689852
Energy: 1.1628703598076
Energy: 1.0410407045732795
Energy: 0.9646666703298564
Energy: 0.8735791204274022
Energy: 0.8739685059434832
Energy: 0.8879702891105605
Energy: 0.8950851946080703
Energy: 0.8742410168130799
Energy: 0.9673921802074351
Energy: 0.891846921453455
Energy: 0.8895669601700812
Energy: 0.8930014759204551
Energy: 0.9061726362018558
Energy: 0.8889550820263187
Energy: 1.1769779204844175
Energy: 1.0425204368657985
Energy: 1.0407572386398083
Energy: 1.1779056061866362
Energy: 0.9090310510876491
Energy: 1.0411001817229013
Energy: 1.4181036563753369
Energy: 1.1210283568896635
Energy: 1.1227654719261202
Energy: 1.4761954731571312
Energy: 1.3943199618118591
Energy: 1.123429154431809
Energy: 1.43057969892508
Energy: 1.0547029812668693
Energy: 1.0413574416381308
Energy: 1.1774328200214579
Energy: 1.0508661231911451
Energy: 1.041703382801601
Energy: 1.0105419351684675
Energy: 1.1806046767652796
Energy: 0.8966826144682253
Energy: 0.861094771586845
Energy: 1.223260878270636
Energy: 0.8939937661102673
Energy: 1.0053261291293478
Energy: 1.05545329403708
Energy: 1.0423201558530895
Energy: 1.0467523452476888
Energy: 1.124996610343732
Energy: 1.0423039275184593
Energy: 1.4304508700800236
Energy: 1.115912515443047
Energy: 1.114795074944461
Energy: 0.8864251920878278
Energy: 1.1787512453151887
Energy: 1.114080456262065
Energy: 1.4304579241094464
Energy: 1.105207123715165
Energy: 1.1199567722736326
Energy: 0.8932847183504898
Energy: 1.105570148699421
Energy: 1.1207612623790397
Energy: 1.4212198395454128
Energy: 1.2251147191449974
Energy: 1.2315630533072357
Energy: 1.1695554271832864
Energy: 1.2285853877421589
Energy: 1.0421610552548382
Energy: 1.2238178546551142
Energy: 1.337781212429421
Energy: 1.3369155884366675
Energy: 1.22381278255669
Energy: 1.338519256148569
Energy: 1.337034548153516
Energy: 0.960970041812904
Energy: 0.8710407893129641
Energy: 0.8693339946813083
Energy: 0.9621118359053927
Energy: 0.8720398800552722
Energy: 0.8576036633252885
Energy: 0.9590799344252178
Energy: 0.9498283659138844
Energy: 0.8883688354003536
Energy: 0.9594978196354478
Energy: 0.9515620371639649
Energy: 0.8879689405155673
Energy: 0.9620002369467248
Energy: 0.865158288229005
Energy: 0.8755378333419797
Energy: 0.8591562750588817
Energy: 0.9624482286416614
Energy: 0.8690771121547645
Energy: 1.4294543366406867
Energy: 1.2233632610904803
Energy: 1.1139817589849932
Energy: 0.9113324827708722
Energy: 1.223744703251517
Energy: 1.1137601360307803
Energy: 1.432075742191684
Energy: 1.1109890422733901
Energy: 1.0467133473797776
Energy: 0.9637526590985165
Energy: 1.2231442872860565
Energy: 1.0433066137568234
Energy: 1.3511109149280787
Energy: 0.8758181592831871
Energy: 0.8930285065943753
Energy: 1.1257544595136455
Energy: 0.8557477422403296
Energy: 1.0631014267910284
Energy: 1.179810195860974
Energy: 0.8938968763287328
Energy: 0.8859973348465434
Energy: 1.1795963994073484
Energy: 0.8920456812408176
Energy: 0.885775740228746
Energy: 1.124345687372596
Energy: 1.0438584038538858
Energy: 1.0416936104336152
Energy: 1.1256369684147554
Energy: 1.0454199680671241
Energy: 1.0422220428260653
Energy: 1.2165716678873002
Energy: 1.3445489355220324
Energy: 1.362462716528363
Energy: 1.2208467782456869
Energy: 1.3821274457695736
Energy: 1.1765877745472626
Energy: 1.3794056942297384
Energy: 1.0557731964499897
Energy: 1.0577739147362701
Energy: 1.1077168410246896
Energy: 1.0634605401779356
Energy: 1.0541949544178741
Energy: 1.844585155425873
Energy: 1.1574291168976767
Energy: 1.3907598458729713
Energy: 0.9138695563908302
Energy: 1.3425122823456896
Energy: 1.33700419115367

minimum gb energy = 0.8557477422403296 eV
minimum distance =  2.3634962456143 Angstroms
sigma value = 67


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

Energy: 1.6423807883489074
Energy: 0.9672949987903606
Energy: 0.9671161226811554
Energy: 0.9672664847431246
Energy: 1.0035000512318868
Energy: 0.9684807179872531
Energy: 1.1060134823853998
Energy: 0.929375676601319
Energy: 0.9099302831528526
Energy: 0.9037648323396117
Energy: 0.927284188540808
Energy: 0.9057669899086961
Energy: 1.0174886600620276
Energy: 0.937173403198166
Energy: 0.9498784292436703
Energy: 0.9285839752167645
Energy: 0.9194868992874013
Energy: 0.9497701603293093
Energy: 1.018297880971531
Energy: 0.9298685560099638
Energy: 0.9304498394383087
Energy: 1.0173899642055821
Energy: 0.927463421970051
Energy: 0.9300629699168909
Energy: 0.9855886781100192
Energy: 0.9277451161163547
Energy: 0.9296900974100707
Energy: 0.9862917269550574
Energy: 0.927452005605235
Energy: 0.929219402117275
Energy: 0.9872861339689145
Energy: 0.948429014315278
Energy: 0.9312748570007132
Energy: 0.9859484036775737
Energy: 0.9454630477390139
Energy: 0.9317634822049412
Energy: 1.1076056731470898
Energy: 0.9060693258028661
Energy: 0.9102827043805763
Energy: 1.013925295301362
Energy: 0.9045838996393721
Energy: 0.9103574418701317

minimum gb energy = 0.9037648323396117 eV
minimum distance =  2.40037771945133 Angstroms
sigma value = 3


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

Energy: 2.0907850459515003
Energy: 1.3834656255969833
Energy: 1.2827372704478461
Energy: 1.0828676938610438
Energy: 1.8278365009698874
Energy: 1.354935823862397
Energy: 1.0779015112390438
Energy: 1.1081332693677302
Energy: 1.089614017747626
Energy: 1.003889456600361
Energy: 1.1581656836759524
Energy: 0.9968113491007686
Energy: 1.1329840413388674
Energy: 1.0318682326623307
Energy: 1.0318926164863718
Energy: 1.0552303645691055
Energy: 1.0317892574033212
Energy: 1.0995959508649022
Energy: 1.1338472622747207
Energy: 1.004375352403017
Energy: 1.1191976362220943
Energy: 1.153200463922869
Energy: 1.0520611666260293
Energy: 1.0135534838478417
Energy: 1.1111481694471437
Energy: 1.050824820791942
Energy: 1.067020421253235
Energy: 1.1028317632344795
Energy: 1.055641031155165
Energy: 1.0559852350502845
Energy: 1.107797396814112
Energy: 1.0555156552667486
Energy: 1.061687669973912
Energy: 1.0876856209490438
Energy: 1.054116075257828
Energy: 1.0656673006953044
Energy: 1.108775525035408
Energy: 1.2471108426788062
Energy: 1.2230940011693625
Energy: 1.0561342417453945
Energy: 1.2027541058540305
Energy: 1.0491407909057158
Energy: 1.2979957703964906
Energy: 1.4659472223447394
Energy: 1.281694803477143
Energy: 1.0570181457055816
Energy: 1.5292218968363949
Energy: 1.2297805193434106
Energy: 1.1921770774322336
Energy: 1.1577818141344385
Energy: 1.2470823066020464
Energy: 1.3389626511146295
Energy: 1.234144672124665
Energy: 1.257932226494621
Energy: 1.3052767786794695
Energy: 1.1055758820802057
Energy: 1.1062737242145813
Energy: 1.2919207646535866
Energy: 1.1107353710094316
Energy: 1.3415226271548593
Energy: 1.413124282619936
Energy: 1.249825520529962
Energy: 1.271576998159087
Energy: 1.3549512528760135
Energy: 1.2000275313138131
Energy: 1.247967628626497
Energy: 1.1892980542361011
Energy: 1.0643026126213115
Energy: 1.064684173748362
Energy: 1.1292344455288355
Energy: 1.0666754848639501
Energy: 1.0657371355822431
Energy: 1.088582124733114
Energy: 1.0806445415661794
Energy: 1.063674164077361
Energy: 0.9957024231503003
Energy: 1.1006620820089856
Energy: 1.0747055430726176
Energy: 1.3834371750168695
Energy: 1.143466554946275
Energy: 1.127163334094855
Energy: 1.172570312442145
Energy: 1.1478047172561212
Energy: 1.1252301400589364
Energy: 1.1571925697740622
Energy: 1.1504081067977858
Energy: 1.1308114145930042
Energy: 1.014687108352625
Energy: 1.1950256897595555
Energy: 1.1011531953914082
Energy: 1.3334686408135057
Energy: 1.103815009591746
Energy: 1.1026197252256131
Energy: 1.4088773444773763
Energy: 1.1026599840641533
Energy: 1.1013905591869708
Energy: 1.349942498793393
Energy: 1.0863043670895196
Energy: 1.0845981749551146
Energy: 1.3339639224585667
Energy: 1.0860057773442502
Energy: 1.3701225299651574
Energy: 1.401820217048359
Energy: 1.2472924011123558
Energy: 1.143969171735269
Energy: 1.4409430605867308
Energy: 1.2557182355306196
Energy: 1.2162627493559377
Energy: 1.3788948236387357
Energy: 1.182001307427264
Energy: 1.1814113196892155
Energy: 1.123164647564899
Energy: 1.2142454505736477
Energy: 1.1105643357290162
Energy: 1.2237302354750905
Energy: 1.2583828910270283
Energy: 1.166933512895147
Energy: 1.0951959345280127
Energy: 1.2567912997627964
Energy: 1.1103127106268396
Energy: 1.114378936542219
Energy: 1.0697094666708051
Energy: 1.040015095157558
Energy: 1.0816445129355245
Energy: 1.0880852838004265
Energy: 1.0391934770735358
Energy: 1.1089574120371082
Energy: 1.0397636334782094
Energy: 1.0395313725667414
Energy: 1.043714856777187
Energy: 1.0466260873338398
Energy: 1.0394416085235325
Energy: 1.111562373503436
Energy: 1.069892065062303
Energy: 1.0331081467456935
Energy: 1.1036001882861708
Energy: 1.0713195062225875
Energy: 1.0313253453270257
Energy: 1.290280794744908
Energy: 1.0537526521455647
Energy: 1.0530938998010202
Energy: 1.2904522097445483
Energy: 1.0532455562507004
Energy: 1.2813359046143418
Energy: 1.366601360907491
Energy: 1.2410983930164847
Energy: 1.2461996048518398
Energy: 1.240071046228014
Energy: 1.1875830580473907
Energy: 1.2225942697135368
Energy: 1.3054209922442572
Energy: 1.2902595171661546
Energy: 1.2659367279156823
Energy: 1.0675059336588186
Energy: 1.4225699785340076
Energy: 1.2827257795273468
Energy: 1.2256903629629838
Energy: 1.2374622810025742
Energy: 1.264871030153224
Energy: 1.1320632136402502
Energy: 1.4212446997429662
Energy: 1.1855115736244648
Energy: 1.162616700883788
Energy: 1.1258482269377321
Energy: 1.153835256790729
Energy: 1.1325824233070505
Energy: 1.0925912485432927
Energy: 1.1127205174710522
Energy: 1.1710545606485556
Energy: 1.0270205198765576
Energy: 1.0265105051881747
Energy: 1.1710222439316251
Energy: 1.0321865433417519
Energy: 1.1208464057668424
Energy: 1.1320272242063565
Energy: 1.1031703803389634
Energy: 1.104787748846187
Energy: 1.1272175855713178
Energy: 1.1467785250562892
Energy: 1.102536404210093
Energy: 1.1106310707778317
Energy: 1.053860364109201
Energy: 1.0529327554809007
Energy: 1.0850661464715587
Energy: 1.0542253359447347
Energy: 1.0589439817386799
Energy: 1.11284960660684
Energy: 1.0714385124547916
Energy: 1.0581433784672019
Energy: 1.0881392720549368
Energy: 1.1344009688883125
Energy: 1.0549591343866702
Energy: 1.2979759340837644
Energy: 1.3869545942743635
Energy: 1.3124200624457372
Energy: 1.054400523951701
Energy: 1.3802027765557257
Energy: 1.2385532050690913
Energy: 1.3387593336629438
Energy: 1.214155167863592
Energy: 1.2168568934122779
Energy: 1.1739763939803198
Energy: 1.2354215085586
Energy: 1.2153453161165269
Energy: 1.2680029616375257
Energy: 1.2607533031818992
Energy: 1.272590407955946
Energy: 1.409578546772652
Energy: 1.1700299497983546
Energy: 1.298909128516506
Energy: 1.3785528031421217
Energy: 1.1057013689770314
Energy: 1.1052768733517446
Energy: 1.3624547345502156
Energy: 1.1138890614605157
Energy: 1.3413153297133475
Energy: 1.2357527678740414
Energy: 1.0615871239460388
Energy: 1.0614394951404824
Energy: 1.2190360738663544
Energy: 1.064826886751832
Energy: 1.0622790553371033
Energy: 1.0887339326459127
Energy: 1.0592274730822961
Energy: 1.069539603356796
Energy: 0.9954089286259887
Energy: 1.071356754660958
Energy: 1.0588307367584366
Energy: 1.237037210690219
Energy: 1.0911493547486717
Energy: 1.0840888785865255
Energy: 1.1312680130078583
Energy: 1.0988196825817167
Energy: 1.086292824888353
Energy: 1.1573383927080385
Energy: 1.1421227078364653
Energy: 1.094686424330432
Energy: 1.0224285505423472
Energy: 1.1483485157839592
Energy: 1.0950303478239376
Energy: 1.3776658345624617
Energy: 1.1060316336940008
Energy: 1.1072735387459265
Energy: 1.1391641507335368
Energy: 1.1233252980078203
Energy: 1.1095755729920884
Energy: 1.4309386117897602
Energy: 1.2738104947153823
Energy: 1.2332963897036875
Energy: 1.4229808982975827
Energy: 1.1819070942798557
Energy: 1.3310684960026162
Energy: 1.4455358565353758
Energy: 1.0884978749669036
Energy: 1.0855916190986552
Energy: 1.3344448357603895
Energy: 1.133170219069988
Energy: 1.344355434993939
Energy: 1.423988838761627
Energy: 1.1059658743619436
Energy: 1.1616735215067644
Energy: 1.4208500549315184
Energy: 1.114828908677303
Energy: 1.1725009713392365
Energy: 1.8181389339709426
Energy: 1.2801796981791798
Energy: 1.1541395488301553
Energy: 1.0601514367564835
Energy: 1.2394124220525848
Energy: 1.147318282125419
Energy: 1.1042551215328782
Energy: 1.1248878969350797
Energy: 1.1394726473800745
Energy: 1.1167368771533932
Energy: 1.1373694113826998
Energy: 1.1033234150977012
Energy: 1.1059419917245834
Energy: 1.0349904525658715
Energy: 1.0635552300261386
Energy: 1.046315493526513
Energy: 1.0454439474196238
Energy: 1.0532013480169617
Energy: 1.1094330976997986
Energy: 1.0476281515532777
Energy: 1.0532836602261246
Energy: 1.1017432123073592
Energy: 1.035775807072568
Energy: 1.0436678298221769
Energy: 1.2522031347410691
Energy: 1.0541931731188683
Energy: 1.2234620655606083
Energy: 1.2571612974291362
Energy: 1.0550831963015646
Energy: 1.10744032817761
Energy: 1.1418325022739297
Energy: 1.0539194499570483
Energy: 1.0535191368055732
Energy: 1.0439730011062176
Energy: 1.054072220316534
Energy: 1.2508727236936417
Energy: 1.079627609119813
Energy: 1.211235057446335
Energy: 1.1979727579271342
Energy: 1.137235486077643
Energy: 1.2620437461970577
Energy: 1.1100801001681726

minimum gb energy = 0.9954089286259887 eV
minimum distance =  2.35208398861604 Angstroms
sigma value = 81


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

Energy: 2.1813072071985293
Energy: 1.1746068580457094
Energy: 1.0895773209133384
Energy: 1.0890528109294872
Energy: 1.3140105524011612
Energy: 1.1506404247809372
Energy: 1.2223589166779658
Energy: 0.9433888875332588
Energy: 0.9430106811606886
Energy: 0.9627491465488198
Energy: 0.9453015959690831
Energy: 0.9271251801135564
Energy: 1.1049662470091988
Energy: 0.9599078532252379
Energy: 0.9570770676027069
Energy: 0.9798163529918249
Energy: 0.9568357276699685
Energy: 1.072651695126115
Energy: 1.105622425015844
Energy: 0.9601773150995818
Energy: 1.0968884074815135
Energy: 1.1278094751853696
Energy: 0.9747927551334586
Energy: 0.9500312250797723
Energy: 1.1530183425000058
Energy: 1.0713788434132419
Energy: 1.0852026083414226
Energy: 1.1420297467045437
Energy: 1.068451732987488
Energy: 1.0714815822073578
Energy: 1.148370057991531
Energy: 1.0689011576002554
Energy: 1.0698299352131744
Energy: 1.1211638559771318
Energy: 1.0722945760004945
Energy: 1.0687846906364484
Energy: 1.1495993882165456
Energy: 1.086583330144044
Energy: 1.0891876993698664
Energy: 1.0861943979009017
Energy: 1.220182125253287
Energy: 1.0707561536628711
Energy: 1.195096116865231
Energy: 1.3347143071910736
Energy: 1.3358319359135717
Energy: 1.0133954740151827
Energy: 1.3678486095847244
Energy: 1.0122894375598825
Energy: 1.148535282569422
Energy: 1.139205971752292
Energy: 1.1489127958238665
Energy: 1.0968792119929407
Energy: 1.2857024898315164
Energy: 1.0797023149165212
Energy: 1.2098997611529319
Energy: 1.004722694591458
Energy: 1.004261533566127
Energy: 1.229421793855765
Energy: 1.0053319307311679
Energy: 1.0042898297859981
Energy: 1.2520628486743686
Energy: 1.0040848410308982
Energy: 1.0037490874206936
Energy: 1.1317788742258772
Energy: 1.0041496988299599
Energy: 1.0756840777212768
Energy: 1.0030632190654014
Energy: 1.0910204536413084
Energy: 1.0904712431493626
Energy: 0.9929472262715807
Energy: 1.0884863880771614
Energy: 1.0899579332907445
Energy: 1.0034075565510177
Energy: 1.1088452496989887
Energy: 1.1087204406375308
Energy: 0.9601631895472994
Energy: 1.144179282539692
Energy: 0.9562453947824736
Energy: 1.076180300149137
Energy: 1.1170013641386765
Energy: 1.0801883466608375
Energy: 1.0261399191801954
Energy: 1.1451378289687095
Energy: 1.074897257600787
Energy: 1.264417074240453
Energy: 1.1211565515975448
Energy: 1.1106333672044462
Energy: 1.0736918393623491
Energy: 1.2340497909155193
Energy: 1.072981113514194
Energy: 1.263516195277852
Energy: 1.07441819257581
Energy: 1.0740131313954087
Energy: 1.2557706310464378
Energy: 1.0757208554347486
Energy: 1.0754444858057421
Energy: 1.3386926508493258
Energy: 1.0131989888967092
Energy: 1.0129960580545132
Energy: 1.329745643969832
Energy: 1.0133455428548324
Energy: 1.049107369008987
Energy: 1.325522995610323
Energy: 1.0797539374099245
Energy: 1.1672702701750586
Energy: 1.293728046613072
Energy: 1.0779011552174562
Energy: 1.1458898470460648
Energy: 1.2940488633351657
Energy: 1.1258492799683408
Energy: 1.003614967787014
Energy: 1.0045364318726524
Energy: 1.1909535159183768
Energy: 1.0038701787694801
Energy: 1.2943552410079033
Energy: 1.1181272270900393
Energy: 1.0036813727363956
Energy: 1.0054032177231385
Energy: 1.1929431431540953
Energy: 1.0042145622757943
Energy: 1.1359072467843272
Energy: 1.0428631286252141
Energy: 1.0306086779663126
Energy: 1.0873441957377068
Energy: 1.0421731634296627
Energy: 1.0910581370427979
Energy: 1.1496724913356675
Energy: 0.9562612325044825
Energy: 0.956004201041818
Energy: 1.144868956771953
Energy: 0.9567194950119547
Energy: 0.9560224750923082
Energy: 1.0699564051835448
Energy: 1.0220918963449275
Energy: 1.0206509521203277
Energy: 1.0630424608354407
Energy: 1.0203991703948172
Energy: 1.020610708867156
Energy: 1.150968337866635
Energy: 1.0748996815335492
Energy: 1.074833485951308
Energy: 1.109743930823096
Energy: 1.0749188016474025
Energy: 1.0743528838094143
Energy: 1.153460740414113
Energy: 1.0772437781108057
Energy: 1.0770631406052058
Energy: 1.073957571697648
Energy: 1.1191857300156975
Energy: 1.0745775489175131
Energy: 1.1955269699027862
Energy: 1.1603673133589147
Energy: 1.163274410565989
Energy: 1.015272088773433
Energy: 1.3336934633461444
Energy: 1.1637316061839602
Energy: 1.1951046106012575
Energy: 1.1377666083188902
Energy: 1.1362100355493712
Energy: 1.0626511127760074
Energy: 1.2853085310218624
Energy: 1.1361923697695584
Energy: 1.2522313714229045
Energy: 1.0344190471528891
Energy: 1.0774466797529978
Energy: 1.0930444231463663
Energy: 1.0008714478388037
Energy: 1.0776167637540777
Energy: 1.2130119453136148
Energy: 1.0044627220056692
Energy: 1.0040005561473548
Energy: 1.226379056782299
Energy: 1.00496641412134
Energy: 1.021447905356372
Energy: 1.0713186885893826
Energy: 1.0805508621877755
Energy: 1.1237787062220763
Energy: 1.0583250936559787
Energy: 1.111318361936219
Energy: 1.0272407613494292
Energy: 1.0037160063276873
Energy: 1.134768795780365
Energy: 1.1281318851234148
Energy: 0.9608329188793004
Energy: 1.1457433794441774
Energy: 0.9571382442026739
Energy: 1.0723894264790501
Energy: 1.0576069267189592
Energy: 1.0424752357322895
Energy: 1.0382311764275223
Energy: 1.0281585438339924
Energy: 1.0145080236227073
Energy: 1.261456529960647
Energy: 1.1093823103285871
Energy: 1.0714783710734583
Energy: 1.0911942690015266
Energy: 1.1115780310293448
Energy: 1.0705651567950054
Energy: 1.261000134155911
Energy: 1.069865296320031
Energy: 1.0832251045687762
Energy: 1.2521472093441748
Energy: 1.1101456926942475
Energy: 1.069742710986385
Energy: 1.2912679514602017
Energy: 1.040382436574285
Energy: 0.9744583039435346
Energy: 1.3152453611569392
Energy: 1.1719059795786109
Energy: 1.0086511855903526
Energy: 1.319938779119263
Energy: 1.0154525088855013
Energy: 1.015435294834473
Energy: 1.171678401850515
Energy: 1.015952673821899
Energy: 1.1268134612027072
Energy: 1.2942564604876072
Energy: 0.9773462171610376
Energy: 0.9805469717263927
Energy: 1.1624136413397033
Energy: 0.9857663924211751
Energy: 0.980479741504495
Energy: 1.3820875852949963
Energy: 1.054825391107098
Energy: 1.080130455205279
Energy: 1.0051340899660777
Energy: 1.062213875177121
Energy: 1.1333479556525372

minimum gb energy = 0.9271251801135564 eV
minimum distance =  2.3663907828197 Angstroms
sigma value = 43


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

Energy: 1.57276292068672
Energy: 1.3217490795950888
Energy: 1.2474534254598075
Energy: 1.0970453745680102
Energy: 1.4081365535560493
Energy: 1.0961659680203675
Energy: 1.1976393082467987
Energy: 1.1255747772741358
Energy: 1.0770868703151981
Energy: 1.0475463049326386
Energy: 1.1944619745966172
Energy: 1.0271311301005226
Energy: 1.3194404760973544
Energy: 0.9798142568052759
Energy: 0.9815626941966352
Energy: 1.0802258342773878
Energy: 0.979685658573816
Energy: 0.9953511439894001
Energy: 1.0764609468477255
Energy: 0.9802205230507545
Energy: 0.9959880954593974
Energy: 1.077661240815253
Energy: 0.9799517421512967
Energy: 0.9955716358515398
Energy: 0.9531881066338469
Energy: 0.9233854916258878
Energy: 0.9237951007740279
Energy: 0.9531740125597186
Energy: 0.9331726124841364
Energy: 0.9237185562380239
Energy: 0.9539654205097082
Energy: 0.923429855344859
Energy: 0.9231921088371116
Energy: 0.9240086528236795
Energy: 0.9411092882853409
Energy: 0.9230958157697812
Energy: 1.0524046069986241
Energy: 1.1019739466759781
Energy: 1.0471078485038092
Energy: 1.0058361781350675
Energy: 1.1025991655325456
Energy: 1.0248587258679287
Energy: 1.1410584733708393
Energy: 1.0451201912711243
Energy: 1.0303998369901821
Energy: 0.9675575054067012
Energy: 1.158211056731364
Energy: 0.9886130923536045
Energy: 1.2988381156994824
Energy: 1.0054561377831301
Energy: 0.9942470098167052
Energy: 1.2647108712165118
Energy: 1.0261010897421856
Energy: 0.9939828252232014
Energy: 1.336361402918068
Energy: 0.9980444119511751
Energy: 0.9979316675814688
Energy: 1.272511532945299
Energy: 0.9983735331903882
Energy: 0.9981697483417509
Energy: 1.369703301680927
Energy: 1.1679217529284502
Energy: 1.1889041460009953
Energy: 1.268250591872394
Energy: 1.136709737316922
Energy: 1.0592360584681497
Energy: 1.199120322597399
Energy: 0.9945731734326281
Energy: 0.9954298140036977
Energy: 1.1803280891311334
Energy: 0.9946956910718687
Energy: 0.9955217157164
Energy: 1.1998635151369215
Energy: 1.1774553711239877
Energy: 1.0407290908447175
Energy: 0.9794143798473754
Energy: 1.1776330877192873
Energy: 1.0071406371071672
Energy: 0.9629742963260146
Energy: 0.9983902194108618
Energy: 0.9343944502535595
Energy: 0.9407627396521198
Energy: 1.0005719165530027
Energy: 0.9331119496425094
Energy: 0.9628272051464372
Energy: 0.928173572531588
Energy: 0.9417318147775673
Energy: 0.957029703726364
Energy: 0.9149129066670775
Energy: 0.9496874760999842
Energy: 1.0031793376189577
Energy: 0.9998944666399915
Energy: 0.9735728366010424
Energy: 1.0044737115543088
Energy: 0.9996329940736005
Energy: 1.0342326413732668
Energy: 1.0131218246721376
Energy: 0.9674775699620912
Energy: 0.9671805834792735
Energy: 1.019552851870754
Energy: 0.9327419878107813
Energy: 0.9669306851253644
Energy: 1.0129872227679373
Energy: 0.9797431169680993
Energy: 0.9661889165868588
Energy: 1.0154190131674885
Energy: 1.084967871434444
Energy: 0.9667720990997368
Energy: 1.273109102500751
Energy: 1.1320070008288827
Energy: 1.1003491386453896
Energy: 1.0104492004927854
Energy: 1.1408874580672133
Energy: 0.9957678378867183
Energy: 1.267789734471428
Energy: 1.1105669087550802
Energy: 1.11065419954567
Energy: 1.0716931582534046
Energy: 1.1081383343849802
Energy: 1.0801073284233
Energy: 1.1959890025775048
Energy: 1.1831818460196268
Energy: 1.157240006007328
Energy: 1.1236607075236655
Energy: 1.0963569304573824
Energy: 1.1576604970893232
Energy: 1.2762839289147356
Energy: 1.012226628403802
Energy: 1.0124212349110948
Energy: 1.2763371911166002
Energy: 0.9847971337815427
Energy: 1.0772929401270444
Energy: 1.1408164462025652
Energy: 0.9630119601666094
Energy: 0.9647436476679512
Energy: 1.1267261964490372
Energy: 0.9665593754540165
Energy: 0.9665792083564579
Energy: 1.0813497159145171
Energy: 0.965547614728009
Energy: 0.9655129016533205
Energy: 0.9513955810247195
Energy: 0.9875517052631864
Energy: 0.9660043171394997
Energy: 1.2228931378067427
Energy: 1.0130588058452556
Energy: 0.966305984406692
Energy: 1.0502116009879077
Energy: 1.0133020593935054
Energy: 0.9662712752825884
Energy: 1.0258126023772265
Energy: 0.9571050933853026
Energy: 0.9322434227792786
Energy: 0.9427656243491924
Energy: 0.962725850815042
Energy: 0.9326475137775267
Energy: 1.025477592946653
Energy: 0.9418515395374367
Energy: 0.9416427414391376
Energy: 0.998149843304838
Energy: 0.9421723571513495
Energy: 0.941831565597431
Energy: 1.17499565876926
Energy: 0.9252459639298156
Energy: 1.0370094293428656
Energy: 1.176394024033127
Energy: 0.9305609436973321
Energy: 1.1177864459237448
Energy: 1.345572243038203
Energy: 0.9957308321370936
Energy: 0.9960542444319501
Energy: 1.3455815845613004
Energy: 0.9672381118100969
Energy: 0.9959484259314638
Energy: 1.2351009092188885
Energy: 1.100079145257948
Energy: 1.1279676418603612
Energy: 1.1785351554805141
Energy: 1.2260764938251747
Energy: 1.0975149291057413
Energy: 1.3339615931376403
Energy: 1.3217123090380392
Energy: 1.0013965643106528
Energy: 1.0144854578911204
Energy: 1.315720105580275
Energy: 0.9801034217501745

minimum gb energy = 0.9149129066670775 eV
minimum distance =  2.35417182298382 Angstroms
sigma value = 57


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

Energy: 1.686501994171686
Energy: 1.1279603248427648
Energy: 1.0676209830900691
Energy: 0.931142362045961
Energy: 1.226619440299094
Energy: 1.0680133861700118
Energy: 0.9107972569079632
Energy: 0.9432863628468225
Energy: 0.9445919739613499
Energy: 0.9440252635323169
Energy: 0.9433261695226589
Energy: 0.8821495466877622
Energy: 1.3284643163495202
Energy: 0.8950558736437471
Energy: 0.8872525186223649
Energy: 0.9334722956952007
Energy: 0.8959414254445509
Energy: 0.8873705540426543
Energy: 0.9510052310438992
Energy: 0.8950139240891067
Energy: 0.887040496691981
Energy: 0.9520035068315158
Energy: 0.9043927128924993
Energy: 0.9304101632396111
Energy: 0.9487586386510617
Energy: 0.8792401554628203
Energy: 0.8787795525498324
Energy: 0.9483145625840549
Energy: 0.8780392787058988
Energy: 0.880121942145574
Energy: 0.9111198051388257
Energy: 0.8978452274899593
Energy: 0.8779351834170193
Energy: 0.8782497238915681
Energy: 0.8784596635942302
Energy: 0.8783637763072216
Energy: 0.9494654161737903
Energy: 0.9492359847399765
Energy: 0.9418125800286039
Energy: 0.8786227960455065
Energy: 0.9500877157421335
Energy: 0.9405767660870257
Energy: 0.9496714873221693
Energy: 0.9311003812413555
Energy: 0.930785782145867
Energy: 0.8889058914816648
Energy: 1.1149773415881283
Energy: 0.9313659522638811
Energy: 0.9606989141603073
Energy: 0.9338566340511104
Energy: 0.9342935856555586
Energy: 0.9607097013664891
Energy: 1.003045999868391
Energy: 0.9316570698901545
Energy: 1.2219341301606677
Energy: 0.9323526431017147
Energy: 0.9300992809998455
Energy: 1.2218954547375838
Energy: 0.9298995833754632
Energy: 0.9296124107086382
Energy: 1.012178576196865
Energy: 0.952175106153864
Energy: 0.9311293217662315
Energy: 0.9277113802660414
Energy: 0.9441807664689027
Energy: 0.9314930345624524
Energy: 1.2476461243275272
Energy: 0.9324275128453521
Energy: 0.9314953588639042
Energy: 0.9350482258169532
Energy: 0.9279691543232956
Energy: 0.9775735046752081
Energy: 1.3262994280352272
Energy: 1.0036193302664733
Energy: 0.9772371081545206
Energy: 0.9770306160184797
Energy: 1.0033615039336965
Energy: 0.9772098401841113
Energy: 1.0118753925593815
Energy: 0.9434778926665305
Energy: 0.8804249487575251
Energy: 0.9269511588519767
Energy: 0.9432183385867884
Energy: 0.9357598970251724
Energy: 1.0120583453352467
Energy: 0.8714433002019732
Energy: 0.9142345508592814
Energy: 1.0035336596046809
Energy: 0.8756557720854017
Energy: 0.9146267475950246
Energy: 1.0422345444018346
Energy: 0.8811816901760297
Energy: 0.8803547630008371
Energy: 1.0431450680172734
Energy: 0.8814350969200573
Energy: 0.9035622636710711
Energy: 0.9484567325571157
Energy: 0.8793361936130409
Energy: 0.8784676560318658
Energy: 0.9074143279784839
Energy: 0.8787890883435617
Energy: 0.8888018289557483
Energy: 0.9484365704203271
Energy: 0.8881351894802982
Energy: 0.8792375652781604
Energy: 0.8943697744599878
Energy: 0.9492358785735726
Energy: 0.8807946722083441
Energy: 0.9597272376138053
Energy: 1.003462216046245
Energy: 0.9295300176100886
Energy: 0.8907868764813097
Energy: 1.012021148624532
Energy: 0.9299584693091175
Energy: 1.156332811385642
Energy: 0.9309902354211164
Energy: 0.9320760906096691
Energy: 0.9321905868142701
Energy: 0.9325569831547369
Energy: 0.9322437148215955
Energy: 0.9614557295207283
Energy: 0.9281900688804681
Energy: 0.9287153720705478
Energy: 0.9616920375294651
Energy: 1.0069370381035523
Energy: 0.8901198616727612
Energy: 1.2281134435524423
Energy: 0.9303358585432753
Energy: 0.9817852232975549
Energy: 1.2283335766216232
Energy: 0.9295868209118521
Energy: 0.9814288430951115
Energy: 1.0119912432526146
Energy: 0.9297247881526858
Energy: 0.9299580810398304
Energy: 0.9485156394276241
Energy: 1.004782403928591
Energy: 0.9916849042267811
Energy: 1.3298003408890102
Energy: 0.9309939856739115
Energy: 0.9772404695819744
Energy: 0.9764632528916702
Energy: 0.9771437212553667
Energy: 0.9771268811340855

minimum gb energy = 0.8714433002019732 eV
minimum distance =  2.37779623756601 Angstroms
sigma value = 17


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

Energy: 1.1776093094338487
Energy: 1.0955448973503654
Energy: 0.9818234199893288
Energy: 0.8685103043802596
Energy: 1.2902123525180482
Energy: 0.8699525330093613
Energy: 0.887140420839973
Energy: 0.9708425277428708
Energy: 0.9713751078368482
Energy: 0.9832092347338174
Energy: 0.9817259184635924
Energy: 0.8444583753371694
Energy: 1.2285655802859294
Energy: 0.8291894647750273
Energy: 0.8289214722902765
Energy: 0.8607633706697062
Energy: 0.8300473766203115
Energy: 0.8283238782273619
Energy: 1.0356461661208376
Energy: 0.8286687604539041
Energy: 0.8282339515080633
Energy: 1.0354837886033057
Energy: 0.8296617301964684
Energy: 0.9714182599524215
Energy: 0.9620612725321496
Energy: 0.809616966302363
Energy: 0.8131685587349087
Energy: 0.9406617376353565
Energy: 0.8100717210944033
Energy: 0.8129803358315884
Energy: 0.9842015942783419
Energy: 0.8032326767094344
Energy: 0.8033221219771925
Energy: 0.794159460252616
Energy: 0.8772365242731389
Energy: 0.7806459368371244
Energy: 1.008646625927052
Energy: 0.9507631096178203
Energy: 0.8633392347223734
Energy: 0.9662592681304001
Energy: 0.9526553841043636
Energy: 0.7927156702134048
Energy: 0.9267503511142647
Energy: 0.7941627879270869
Energy: 0.7956091932924425
Energy: 0.7930200774639009
Energy: 0.7927778480321994
Energy: 0.9130410264678549
Energy: 0.9281832093398531
Energy: 0.7861179298281407
Energy: 0.7927191706374621
Energy: 0.9286925193501794
Energy: 0.7866367644051236
Energy: 0.786412887489908
Energy: 0.8771292799495661
Energy: 0.8040326964109773
Energy: 0.8040237414937899
Energy: 0.8768172898004919
Energy: 0.8041415204185404
Energy: 0.8039473785603798
Energy: 0.8777067200288765
Energy: 0.8111504753474933
Energy: 0.8119826492739514
Energy: 0.8083545206838995
Energy: 1.0483219182980557
Energy: 0.8086648086117657
Energy: 1.1401648002093394
Energy: 0.9808557732935856
Energy: 0.9714260856640873
Energy: 0.9602178448353056
Energy: 0.9821382861306462
Energy: 0.9822202669612021
Energy: 1.0473735672155893
Energy: 0.861273135779966
Energy: 0.8613121949764585
Energy: 0.8129765182833049
Energy: 0.8834360765614646
Energy: 0.8614753316183354
Energy: 1.2030873239137991
Energy: 0.9640911119032731
Energy: 0.99091392846521
Energy: 1.0264141735861063
Energy: 0.964749266521625
Energy: 0.8525278476140346
Energy: 1.2585146689229443
Energy: 0.8611030441086315
Energy: 0.8845735055645796
Energy: 1.25847995958906
Energy: 0.8611504391958783
Energy: 0.8872528662272806
Energy: 1.2848401313167443
Energy: 0.9641626361709028
Energy: 0.8447264309329311
Energy: 0.9708881264817295
Energy: 0.9969186418980034
Energy: 0.9716633008962556
Energy: 1.1109402411277558
Energy: 0.8614599499137353
Energy: 0.9914606093579776
Energy: 0.9867783188809334
Energy: 0.861195846128811
Energy: 0.8905544294237471

minimum gb energy = 0.7806459368371244 eV
minimum distance =  2.37608251925989 Angstroms
sigma value = 17


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

Energy: 1.0402021221707662
Energy: 1.0771157353299596
Energy: 0.814834706651881
Energy: 0.8105162980817919
Energy: 1.0743911376000472
Energy: 0.8703248954345243
Energy: 1.1148392960317342
Energy: 0.9765368006750136
Energy: 0.9889731184304844
Energy: 0.8707730255531947
Energy: 0.9833049511337353
Energy: 0.9045712434513136
Energy: 1.176484211419076
Energy: 0.7815613689534078
Energy: 0.827498482434173
Energy: 0.8121245121680485
Energy: 0.7839929027530718
Energy: 0.828449362515735
Energy: 1.044451447832583
Energy: 0.8279440742036087
Energy: 0.8280392198534444
Energy: 0.9444395782883418
Energy: 0.8712881762336451
Energy: 0.8888464998551956
Energy: 1.0163642194256088
Energy: 0.8664050529279088
Energy: 0.8712229338507337
Energy: 1.0113405389853736
Energy: 0.8708209364989852
Energy: 0.8686686152025124
Energy: 0.9745693696800829
Energy: 0.8522927006278546
Energy: 0.7832396034705339
Energy: 0.7816909344938652
Energy: 0.9197118847229274
Energy: 0.78301865176652
Energy: 1.0501978412455848
Energy: 0.9414551921940304
Energy: 0.9689084357076283
Energy: 0.9892267738778172
Energy: 0.9394182131924163
Energy: 0.8402557137699034
Energy: 1.1393616557186987
Energy: 0.7646895130160278
Energy: 0.8769404832913706
Energy: 0.8391110122745017
Energy: 0.7632709158570615
Energy: 0.888734045423799
Energy: 0.8887438065869996
Energy: 0.8451766580422118
Energy: 0.8274771213725874
Energy: 0.8905928401410698
Energy: 0.8819130059845087
Energy: 0.8815308118345285
Energy: 0.9252740343464987
Energy: 0.8229783224179811
Energy: 0.8260655428909052
Energy: 0.9185634024250969
Energy: 0.8220699672477387
Energy: 0.8268465433476814
Energy: 0.9550453653573515
Energy: 0.8262391881007275
Energy: 0.8270677810204493
Energy: 0.8216027940743315
Energy: 0.9187484275656105
Energy: 0.825888123074998
Energy: 1.0113731598676934
Energy: 0.8953903215120506
Energy: 0.8953779439382082
Energy: 1.0039764152759603
Energy: 0.8862094467290503
Energy: 0.8287445582015822
Energy: 0.9663970052938161
Energy: 0.8753657065345443
Energy: 0.8755863150516032
Energy: 0.8618825928010453
Energy: 0.8774914709239147
Energy: 0.8342043489380138
Energy: 0.9657760461589956
Energy: 0.839095684640476
Energy: 0.8401223954070274
Energy: 0.9603643261208988
Energy: 0.8951799181199724
Energy: 0.9584938600232548
Energy: 0.925116051789156
Energy: 0.7719516796044683
Energy: 0.7721980524759868
Energy: 0.9186375264897843
Energy: 0.7721105610498867
Energy: 0.8562398523038178
Energy: 1.1422424637743858
Energy: 1.0588358247120453
Energy: 0.8564205074207295
Energy: 0.864706584028092
Energy: 1.0546622922525017
Energy: 0.854661012651667
Energy: 1.0101035679334278
Energy: 1.0179317220918085
Energy: 1.0099748331486187
Energy: 0.8078767396789601
Energy: 1.0217945801675297
Energy: 0.7992602753532151
Energy: 0.9316728049513757
Energy: 0.926082429167806
Energy: 0.9207359313237607
Energy: 1.0002282919939725
Energy: 0.9212546912874324
Energy: 0.800252835750498
Energy: 1.1209183217695442
Energy: 1.0285135116706468
Energy: 0.9281971229587941
Energy: 0.9589735647014338
Energy: 0.836924476544337
Energy: 0.8935821678034476
Energy: 1.2744954352976936
Energy: 0.8074658503965947
Energy: 0.823520164951286
Energy: 1.2270101177632509
Energy: 0.8078080396486365
Energy: 0.8795009573784104
Energy: 1.1945697171123077
Energy: 1.0322078099682865
Energy: 1.0297156190214631
Energy: 0.9451556109312731
Energy: 1.0387779753255915
Energy: 0.9395770479561034
Energy: 1.0430285966873891
Energy: 0.9436487087610552
Energy: 0.871375937178846
Energy: 0.7625868440128526
Energy: 0.9337396423872386
Energy: 0.7634507638483147
Energy: 0.9516484000228856
Energy: 1.0318242139603435
Energy: 1.027694470331961
Energy: 0.8972897379467719
Energy: 1.032406419846666
Energy: 0.988946110301918
Energy: 1.1911515662511853
Energy: 0.8948618678428051
Energy: 0.9412389923404488
Energy: 0.965289200862686
Energy: 0.9517869568958114
Energy: 0.9664367991598539
Energy: 1.0504673715005628
Energy: 0.7811379109856202
Energy: 0.829998112209888
Energy: 1.0086070218797714
Energy: 0.7811080575953558
Energy: 0.827074912399909
Energy: 1.0359779582657769
Energy: 0.8847631955372658
Energy: 0.8860776384441091
Energy: 1.0339641832266346
Energy: 0.8841518621274547
Energy: 0.9247725111123484
Energy: 0.9746204716813488
Energy: 0.8926881319429837
Energy: 0.9288457119549708
Energy: 0.7817803752763944
Energy: 0.8934166732077559
Energy: 0.8477299641230199
Energy: 0.9918512558285786
Energy: 0.9413916843934127
Energy: 0.9343964611930358
Energy: 0.930496931033226
Energy: 0.9397325430491583
Energy: 0.9365182343688595
Energy: 1.1706834627562674
Energy: 0.833091916665749
Energy: 0.833619410963082
Energy: 0.851747664905676
Energy: 0.9649133673417976
Energy: 0.8393942300317551
Energy: 0.8841161759344759
Energy: 0.7626983921126512
Energy: 0.8308756094736863
Energy: 0.8790299030916837
Energy: 0.7643613828699122
Energy: 0.8369575323952657
Energy: 0.9070182995859207
Energy: 0.824104915119522
Energy: 0.8217153884120186
Energy: 0.8997396337528204
Energy: 0.8263725870231318
Energy: 0.821378822195802
Energy: 0.9251766896015532
Energy: 0.8252823737279082
Energy: 0.8229052200936183
Energy: 0.8659667737703794
Energy: 0.8283069161133112
Energy: 0.8230086668848984
Energy: 1.022613739006618
Energy: 0.8860999628715073
Energy: 0.8792295677437605
Energy: 1.0098749119883799
Energy: 0.8838102986716656
Energy: 0.8791809673191495
Energy: 0.9938515464000932
Energy: 0.837907962852976
Energy: 0.8373690251543577
Energy: 0.8343215152338361
Energy: 0.9046977255312754
Energy: 0.8392857654275289
Energy: 0.9706393477539795
Energy: 0.8395953201104187
Energy: 0.8390867028537652
Energy: 0.9647907043411524
Energy: 0.840448859032939
Energy: 0.841428606199973
Energy: 0.9312586064566825
Energy: 0.7716866416311051
Energy: 0.8545509174268141
Energy: 0.9255249873808006
Energy: 0.7720253552843215
Energy: 0.8545675866675426
Energy: 1.1665856274304978
Energy: 0.8641863129362171
Energy: 0.8652596144929211
Energy: 0.8717074886627317
Energy: 1.0579883658127494
Energy: 0.8648325473673389
Energy: 0.9099578463016295
Energy: 1.0518344372654742
Energy: 1.0461886012858779
Energy: 0.8697239814643993
Energy: 1.0494363077980517
Energy: 1.0620311247056644
Energy: 1.031037242825278
Energy: 0.9081175427631751
Energy: 0.8319022755397828
Energy: 0.7995409693126129
Energy: 1.065139344198305
Energy: 0.82233462199907
Energy: 1.1028906185683227
Energy: 0.9060634111425797
Energy: 1.0203712167084373
Energy: 0.9243470625626642
Energy: 1.0208646873597351
Energy: 0.8342477070534052
Energy: 1.1204443570746738
Energy: 0.8073823509289956
Energy: 0.8617816858663359
Energy: 0.8618388834340986
Energy: 0.8072805001672338
Energy: 0.8618098084448979
Energy: 1.1962569021693177
Energy: 0.8474269820207214
Energy: 0.9661728687400863
Energy: 0.851837666769603
Energy: 0.8875481394229406
Energy: 0.9767127713422589
Energy: 0.984816052795183
Energy: 0.8619315888932135
Energy: 0.8600589850145417
Energy: 0.8950601667277197
Energy: 0.8620604325664446
Energy: 0.9448350913358147

minimum gb energy = 0.7625868440128526 eV
minimum distance =  2.28675395064622 Angstroms
sigma value = 57


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

Energy: 0.9233191737865413
Energy: 0.9588458611190406
Energy: 0.7472044151863696
Energy: 0.7129968990018097
Energy: 1.295502588495975
Energy: 0.7494634078870748
Energy: 1.0242692292637143
Energy: 0.8390602858031658
Energy: 0.8464468451269925
Energy: 0.8464691771124297
Energy: 0.8429202960757882
Energy: 0.8501908736179243
Energy: 1.0759977693601377
Energy: 0.6877690113111812
Energy: 0.6998145014914294
Energy: 0.8488408359455478
Energy: 0.6762869504568281
Energy: 0.7328697279505159
Energy: 0.9327157298605114
Energy: 0.6873204970716963
Energy: 0.7177197558425881
Energy: 0.9340838872297139
Energy: 0.8888348026690798
Energy: 0.7862571353036875
Energy: 0.8912013146249008
Energy: 0.7134327350794576
Energy: 0.716862033870381
Energy: 0.8920750128562654
Energy: 0.7131872206968435
Energy: 0.7221542015083093
Energy: 0.8087358104224182
Energy: 0.7832848738437267
Energy: 0.6736663410751075
Energy: 0.6634895880903774
Energy: 0.7835123750913753
Energy: 0.6770371808934625
Energy: 0.9801320509475233
Energy: 0.8592414412263862
Energy: 0.8541007295344623
Energy: 0.8213411067492462
Energy: 0.8434184723876217
Energy: 0.6824484364689911
Energy: 1.0042354958291109
Energy: 0.6779229574673278
Energy: 0.7016506120182566
Energy: 0.6855880081301766
Energy: 0.6633138061779996
Energy: 0.7462210923059601
Energy: 0.7456064918053347
Energy: 0.665052361564259
Energy: 0.7261767378913415
Energy: 0.7466163629946873
Energy: 0.863585263292854
Energy: 0.7576788438795807
Energy: 0.8060652276112487
Energy: 0.6754824290083056
Energy: 0.6761772030404534
Energy: 0.8065176052825231
Energy: 0.6653771554849648
Energy: 0.6768948283686761
Energy: 0.7766793206894979
Energy: 0.7681209499284719
Energy: 0.6700711016782632
Energy: 0.6554055257333845
Energy: 0.7207746208310256
Energy: 0.6701350605114664
Energy: 0.886176347956497
Energy: 0.7533098334413372
Energy: 0.7710752486812645
Energy: 0.9513159245941429
Energy: 0.7531508718059666
Energy: 0.658611526787879
Energy: 0.8912885747032238
Energy: 0.7033488526068142
Energy: 0.7005511001164737
Energy: 0.6642012463467368
Energy: 0.6534984329795841
Energy: 0.6993892585098279
Energy: 0.7208837001723623
Energy: 0.7623730573199202
Energy: 0.6584731858312179
Energy: 0.7226810488209687
Energy: 0.8701939013062753
Energy: 0.7202807183246924
Energy: 0.7459552240026085
Energy: 0.6552103565483772
Energy: 0.6595952024026732
Energy: 0.7457001817337454
Energy: 0.6794864494539641
Energy: 0.6598951227035699
Energy: 0.9981635545975397
Energy: 0.8044042227491683
Energy: 0.6755970849311713
Energy: 0.6675702802951976
Energy: 0.8012460142956082
Energy: 0.6738650460819005
Energy: 0.8552464156126878
Energy: 0.7524682566738352
Energy: 0.7442315346192954
Energy: 0.7450527968892927
Energy: 0.7495261474412895
Energy: 0.6840496639328664
Energy: 0.8389498218221964
Energy: 0.708620845214938
Energy: 0.6803319075853459
Energy: 0.8662558198414069
Energy: 0.7418936045049407
Energy: 0.6834857804475439
Energy: 0.8390060905397531
Energy: 0.6904856392237049
Energy: 0.8624106601420382
Energy: 0.8402704818113527
Energy: 0.6850435857515178
Energy: 0.8388819063736507
Energy: 1.0218083937738018
Energy: 0.698171133938236
Energy: 0.7234845744070983
Energy: 1.0225405416874258
Energy: 0.6761025562361392
Energy: 0.7084467253829715
Energy: 1.0124433310700953
Energy: 0.9305315892046621
Energy: 0.9233882256079461
Energy: 0.70556599309608
Energy: 0.9526573437640754
Energy: 0.7153220163812855
Energy: 0.8381970535397167
Energy: 0.8955236106634482
Energy: 0.7082846754651656
Energy: 0.7797119871402303
Energy: 0.8921232145756236
Energy: 0.7042158084652814
Energy: 0.9195806941018647
Energy: 0.7404887266474292
Energy: 0.7414774971377444
Energy: 0.791175488638821
Energy: 0.7400924572570033
Energy: 0.7418721765754318
Energy: 1.020939496356768
Energy: 0.7101478434566125
Energy: 0.8528524138256998
Energy: 0.8733205439777155
Energy: 0.7173151760123508
Energy: 0.7196018522307718
Energy: 1.0396081301349336
Energy: 0.7036232864305919
Energy: 0.7429502669734778
Energy: 0.7504962128595413
Energy: 0.7100390803392591
Energy: 0.7384591436238177
Energy: 1.0782480913843817
Energy: 0.8346505185844398
Energy: 0.839197068405698
Energy: 0.8658524946673742
Energy: 0.8663144649827482
Energy: 0.8446417518413111
Energy: 0.8659562461566924
Energy: 0.7474595796713306
Energy: 0.7328164799122865
Energy: 0.682550094121139
Energy: 0.8880190713111823
Energy: 0.7175437942550236

minimum gb energy = 0.6534984329795841 eV
minimum distance =  2.36103331797322 Angstroms
sigma value = 43


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

Energy: 0.790651987844378
Energy: 0.8293217752612062
Energy: 0.6630584787548768
Energy: 0.6078299803417205
Energy: 0.898633363293743
Energy: 0.636117615703281
Energy: 0.8558339092271292
Energy: 0.6060459448620581
Energy: 0.6992557364017814
Energy: 0.7170633011970747
Energy: 0.739624820582205
Energy: 0.7008642983630209
Energy: 0.9125980631442341
Energy: 0.5697921893496063
Energy: 0.5865992923634127
Energy: 0.7159398181851421
Energy: 0.7181400443476297
Energy: 0.586646958002775
Energy: 0.7932578610046204
Energy: 0.5867635358927149
Energy: 0.5868869204484606
Energy: 0.7874367011409555
Energy: 0.716877831044326
Energy: 0.6633396027745527
Energy: 0.8013594906545963
Energy: 0.6118814594919445
Energy: 0.614416743982271
Energy: 0.8012296062199111
Energy: 0.6129832311768854
Energy: 0.6055272716141363
Energy: 0.6704915473251909
Energy: 0.683498546615893
Energy: 0.5849247830922074
Energy: 0.55279280465261
Energy: 0.6834520930421247
Energy: 0.6070723848484193
Energy: 0.8277029204645697
Energy: 0.7501919708068187
Energy: 0.7342544214319685
Energy: 0.7038883406767019
Energy: 0.7535343373490065
Energy: 0.7445285466265746
Energy: 0.849767796787406
Energy: 0.5510847433165935
Energy: 0.5629184223490766
Energy: 0.724875746408483
Energy: 0.5508486706017893
Energy: 0.6125502857144771
Energy: 0.6630358625561752
Energy: 0.5631521227550272
Energy: 0.6572415445869584
Energy: 0.6645436482353478
Energy: 0.7365121906249468
Energy: 0.646387422944906
Energy: 0.6990476773790527
Energy: 0.5765430810286059
Energy: 0.5763530837772085
Energy: 0.7138692949066723
Energy: 0.5770214720025096
Energy: 0.5714186843275859
Energy: 0.6477695375864706
Energy: 0.611748049907117
Energy: 0.5564854893450228
Energy: 0.5447373697064785
Energy: 0.6119794013762062
Energy: 0.5502832618946961
Energy: 0.747847416410926
Energy: 0.6342020465352377
Energy: 0.6667051538715513
Energy: 0.5657480812401258
Energy: 0.6404092435353823
Energy: 0.5633862920621355
Energy: 0.8315953436605994
Energy: 0.5745288355622243
Energy: 0.5811074346552338
Energy: 0.8331914133446082
Energy: 0.5443033887017366
Energy: 0.5838813180495438
Energy: 0.5959247582207141
Energy: 0.6968755225234025
Energy: 0.6043571720671681
Energy: 0.5970412835135637
Energy: 0.7049577508459741
Energy: 0.5953408989514308
Energy: 0.641997983592239
Energy: 0.5526291943927744
Energy: 0.5529053389865782
Energy: 0.6414920571570287
Energy: 0.5635787762026179
Energy: 0.5523943334531063
Energy: 0.7629403486118864
Energy: 0.587925970411674
Energy: 0.5484392800089035
Energy: 0.6472056328220249
Energy: 0.5879129227740852
Energy: 0.5489678753985052
Energy: 0.7145447488369142
Energy: 0.610935595160802
Energy: 0.6226643708571322
Energy: 0.6442897833831701
Energy: 0.5879936499968728
Energy: 0.5476876383475
Energy: 0.8267670552879612
Energy: 0.568515872256783
Energy: 0.5862295812333301
Energy: 0.7443010724052865
Energy: 0.5684792341748297
Energy: 0.5468868970373608
Energy: 0.5878926578615339
Energy: 0.6683741005594628
Energy: 0.5878924651597494
Energy: 0.5897968574176718
Energy: 0.6998650752163486
Energy: 0.5879512114304837
Energy: 0.8268329139012232
Energy: 0.5715551793660292
Energy: 0.5542211100961749
Energy: 0.7862056381334759
Energy: 0.5716182795044765
Energy: 0.5524596932394937
Energy: 0.7225106755794781
Energy: 0.641839793978535
Energy: 0.6609409798327719
Energy: 0.5553432566859239
Energy: 0.5953696898260026
Energy: 0.5531449994562863
Energy: 0.7051725138737436
Energy: 0.5955990116538019
Energy: 0.5885328513711305
Energy: 0.7196369582780171
Energy: 0.5954759163269965
Energy: 0.5509150398416345
Energy: 0.6578031216949395
Energy: 0.5482669009704151
Energy: 0.5481635882295443
Energy: 0.6570495517278375
Energy: 0.5845617656887804
Energy: 0.5702900924827438
Energy: 0.6118563066755216
Energy: 0.6368748329774577
Energy: 0.628293547211349
Energy: 0.6134926524086534
Energy: 0.7140863511907083
Energy: 0.6118386787983902
Energy: 0.8382112605046773
Energy: 0.565865579321322
Energy: 0.5984484158238177
Energy: 0.839807362575214
Energy: 0.5480215858826103
Energy: 0.6017340215407316
Energy: 0.7828240645181386
Energy: 0.6829720617219628
Energy: 0.6995604483408827
Energy: 0.5755876112254933
Energy: 0.6886592278491802
Energy: 0.5709185579929217
Energy: 0.658680894138695
Energy: 0.6390649522685917
Energy: 0.5735586523993706
Energy: 0.5492807917408397
Energy: 0.6390459072614162
Energy: 0.5601943006304143
Energy: 0.740920307952569
Energy: 0.593516366011292
Energy: 0.5921672979806137
Energy: 0.7802362376446312
Energy: 0.5941031495597375
Energy: 0.5925258879187971
Energy: 0.7255697513751197
Energy: 0.5753112468216441
Energy: 0.6933125004706068
Energy: 0.727019494570938
Energy: 0.7288464403473423
Energy: 0.6914713077285077
Energy: 0.8672825082775032
Energy: 0.5587862946647363
Energy: 0.574750685552948
Energy: 0.73116331226646
Energy: 0.559355301363418
Energy: 0.6038669351357422
Energy: 0.8533326978232302
Energy: 0.7042590821496088
Energy: 0.7724107975069515
Energy: 0.6107133319460987
Energy: 0.7025655100683115
Energy: 0.7762077415979061
Energy: 0.6857755645403428
Energy: 0.7574889354979789
Energy: 0.6034173862509336
Energy: 0.5626832774582536
Energy: 0.7574101764459562
Energy: 0.6212192034605853
Energy: 0.8263758211235442
Energy: 0.6166088208596451
Energy: 0.7024947129536643
Energy: 0.7072194203807279
Energy: 0.7094460848887696
Energy: 0.7031043211500982
Energy: 0.8641120373346773
Energy: 0.6059829219867992
Energy: 0.6058117985753787
Energy: 0.7435617324581881
Energy: 0.7397524629832068
Energy: 0.672504410346665
Energy: 0.9007905240299435
Energy: 0.5824741887470261
Energy: 0.6061071411681392
Energy: 0.7234424472890385
Energy: 0.7424603675611576
Energy: 0.651355601271171
Energy: 0.855833851226156
Energy: 0.7023088130044469
Energy: 0.7028773982637997
Energy: 0.7161644086286609
Energy: 0.7092712100594531
Energy: 0.7164450761607876

minimum gb energy = 0.5443033887017366 eV
minimum distance =  2.28733181589383 Angstroms
sigma value = 81


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

Energy: 0.04611528522557726
Energy: 0.08031138114924813
Energy: 0.0467825623691802
Energy: 0.04831278496839052
Energy: 0.08007415060558394
Energy: 0.046626056874169104
Energy: 0.08162535987599431
Energy: 0.046780361066456305
Energy: 0.04671128228265758
Energy: 0.08160770416773094
Energy: 0.04876099022289283
Energy: 0.047172011451749714
Energy: 0.08002557892415176
Energy: 0.04667863238672566
Energy: 0.04690941043177514
Energy: 0.08000215152782142
Energy: 0.04665170919958783
Energy: 0.0806727018621573
Energy: 0.04912654095155639
Energy: 0.04674045773477576
Energy: 0.04704026791207622
Energy: 0.05121201367333076
Energy: 0.04662250578034042
Energy: 0.08130565240894556
Energy: 0.08072484870728033
Energy: 0.07995562645455519
Energy: 0.0812611908387221
Energy: 0.0817954680720298
Energy: 0.08007708869445622
Energy: 0.08015782937627598
Energy: 0.04722110236722274
Energy: 0.046906111534312574
Energy: 0.04687637171475796
Energy: 0.04857709709702127
Energy: 0.046892492250519495
Energy: 0.04668039682419972
Energy: 0.08236857821135421
Energy: 0.04684312067844289
Energy: 0.047248613945026004
Energy: 0.08001102491628709
Energy: 0.05007631088136984
Energy: 0.04712836199399643
Energy: 0.0802715635781852
Energy: 0.04664885536056429
Energy: 0.04681030593872694
Energy: 0.08005600767196118
Energy: 0.046450177834794416
Energy: 0.0809276571662778
Energy: 0.047646517947886824
Energy: 0.04678069909340986
Energy: 0.08266608794019376
Energy: 0.04917411296347816
Energy: 0.046744024853948185
Energy: 0.08261503367302507
Energy: 0.046796170177237514
Energy: 0.08013352537963689
Energy: 0.0798784051344023
Energy: 0.0469886568844266
Energy: 0.08007316920169906
Energy: 0.08011187472291677

minimum gb energy = 0.04611528522557726 eV
minimum distance =  2.5319717725212 Angstroms
sigma value = 3


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

Energy: 0.6824648330134616
Energy: 0.6780565879329443
Energy: 0.6592988157946833
Energy: 0.7504596803462333
Energy: 0.6434981551965694
Energy: 0.7541786290767086
Energy: 0.7849311150488442
Energy: 0.773505418676858
Energy: 0.7261831497906069
Energy: 0.7240832349230554
Energy: 0.783124978148625
Energy: 0.6766503573019083
Energy: 0.8336977755621457
Energy: 0.7322195940786828
Energy: 0.7323986550848766
Energy: 0.7382840323500482
Energy: 0.7105943525610465
Energy: 0.6710816379184652
Energy: 0.7177995544897633
Energy: 0.711686946289899
Energy: 0.724479164269643
Energy: 0.712957550615853
Energy: 0.646552114753655
Energy: 0.7303968448866721
Energy: 0.6779336873232402
Energy: 0.6934001950055688
Energy: 0.6754589241733998
Energy: 0.6977411668909413
Energy: 0.6912924955414074
Energy: 0.6749868184124843
Energy: 0.6466320628027344
Energy: 0.6617570406589397
Energy: 0.7831740535797319
Energy: 0.7272625352408362
Energy: 0.6618319717380938
Energy: 0.7300278970175076
Energy: 0.7580873677598876
Energy: 0.7398756937741063
Energy: 0.6639191513454747
Energy: 0.7598625057242018
Energy: 0.785982425316476
Energy: 0.8226049260986542
Energy: 0.7706122084189044
Energy: 0.7404015743383784
Energy: 0.7049206036289636
Energy: 0.7705467738031417
Energy: 0.6964923213188131
Energy: 0.7305263547958833
Energy: 0.6583767918178982
Energy: 0.7405362854229988
Energy: 0.7400079597974919
Energy: 0.6946472341684394
Energy: 0.653307715868975
Energy: 0.6948728266731314
Energy: 0.6655993754590409
Energy: 0.6881270010974387
Energy: 0.6891489633075706
Energy: 0.6655468741784216
Energy: 0.7175941942062163
Energy: 0.6877509095778644
Energy: 0.6412754750442443
Energy: 0.70546015227776
Energy: 0.7427364211238252
Energy: 0.6982883406400078
Energy: 0.6437965030052472
Energy: 0.6982984205964259
Energy: 0.6821811102554995
Energy: 0.6620169433816943
Energy: 0.6637548379890341
Energy: 0.6820937885952166
Energy: 0.6626553436090098
Energy: 0.6801986866167119
Energy: 0.6833537702529041
Energy: 0.6801667154075951
Energy: 0.679740572756913
Energy: 0.6241380882254106
Energy: 0.6781241218467129
Energy: 0.6330644997262186
Energy: 0.6232502881135789
Energy: 0.6372219147814567
Energy: 0.6450856823003026
Energy: 0.6442300414875013
Energy: 0.6482380676436486
Energy: 0.642578807556867
Energy: 0.6293055682558297
Energy: 0.6156720378793615
Energy: 0.6130013526179229
Energy: 0.6260188347785713
Energy: 0.5975125090054285
Energy: 0.6130694299515536
Energy: 0.6253854305366152
Energy: 0.6399861492371344
Energy: 0.6516857205750874
Energy: 0.6256261842495509
Energy: 0.6195422762936336
Energy: 0.675065545511906
Energy: 0.600413528320545
Energy: 0.6316760281807352
Energy: 0.6302855784018007
Energy: 0.6001211386872239
Energy: 0.6303739720416389
Energy: 0.583217255300508
Energy: 0.5829140180837314
Energy: 0.6705261284935169
Energy: 0.6512920242370036
Energy: 0.5830088797507701
Energy: 0.6681176786025903
Energy: 0.6283693466668075
Energy: 0.6117959988316605
Energy: 0.6164883414606707
Energy: 0.6690113249693411
Energy: 0.6682611886300023
Energy: 0.6200867225529476
Energy: 0.668419342065766
Energy: 0.6183149779714122
Energy: 0.6053376150048032
Energy: 0.6047601932583784
Energy: 0.6199249016029454
Energy: 0.5858663423153685
Energy: 0.6043010189670058
Energy: 0.6191161165814898
Energy: 0.6398631023826297
Energy: 0.6516336335874614
Energy: 0.6204602044088261
Energy: 0.6254346326249357
Energy: 0.6496631017064356
Energy: 0.6175168584842861
Energy: 0.6398198020039692
Energy: 0.6134514004354715
Energy: 0.6188010841465597
Energy: 0.6255107600400859
Energy: 0.6414792109757755
Energy: 0.603313839781378
Energy: 0.6751183166303901
Energy: 0.6609813358044924
Energy: 0.6284232335768464
Energy: 0.6771352550206179
Energy: 0.6585716310084699
Energy: 0.6307999298828065
Energy: 0.6796235863354716
Energy: 0.7258418215119519
Energy: 0.6861554298788545
Energy: 0.678780025555001
Energy: 0.6867866467325927
Energy: 0.6444964033954872
Energy: 0.682254869665178
Energy: 0.687595506776461
Energy: 0.6459076335150336
Energy: 0.6618368237173923
Energy: 0.6693074550839765
Energy: 0.645146380509539
Energy: 0.7234231956713306
Energy: 0.7234820850119132
Energy: 0.6461806406438874
Energy: 0.6849374884465073
Energy: 0.7445795789864647
Energy: 0.690884517055391
Energy: 0.6503135931039834
Energy: 0.6750500223578901
Energy: 0.6918764128422635
Energy: 0.6535106380206733
Energy: 0.6877635233591382
Energy: 0.6565969699044265
Energy: 0.6855839206350995
Energy: 0.687021700378602
Energy: 0.6801010558967754
Energy: 0.7046648628653331
Energy: 0.7230357439179484
Energy: 0.6373548810065789
Energy: 0.7177776766869854
Energy: 0.7169753191606004
Energy: 0.7092376119028703
Energy: 0.7708805197521313
Energy: 0.7104704135659576
Energy: 0.7836379048452173
Energy: 0.6857741206127523
Energy: 0.6878247563102846
Energy: 0.7414172971608363
Energy: 0.7193649487236806
Energy: 0.8183599126595172
Energy: 0.6649102063576725
Energy: 0.7561108268076621
Energy: 0.7560813807767067
Energy: 0.6654019128051445
Energy: 0.7074130655387211
Energy: 0.7560496198146829
Energy: 0.8627894152325852
Energy: 0.7143817750109497
Energy: 0.692794952426059
Energy: 0.8046330550052785
Energy: 0.6635287969356657
Energy: 0.6756592576838962
Energy: 0.7577320819210949
Energy: 0.7357635422439901
Energy: 0.7316749998492652
Energy: 0.6852872619065636
Energy: 0.8050525871312225
Energy: 0.726866220637563

minimum gb energy = 0.5829140180837314 eV
minimum distance =  2.33992433022292 Angstroms
sigma value = 67


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

Energy: 0.8496120685256174
Energy: 0.8360726667150236
Energy: 0.9671293150704573
Energy: 0.898380866549701
Energy: 0.8078116532966195
Energy: 0.9682777907136286
Energy: 0.9493611113453276
Energy: 0.8898811635301832
Energy: 0.8459785076439817
Energy: 0.9066851760294673
Energy: 0.8870827995812811
Energy: 0.8509691829363956
Energy: 1.0091378442513173
Energy: 0.8814017797624507
Energy: 0.8205434931276403
Energy: 0.8726732350977352
Energy: 0.8795128936322939
Energy: 0.8328444246576874
Energy: 0.8961177469864793
Energy: 0.8834182522033444
Energy: 0.8280191243980758
Energy: 0.8980273429159679
Energy: 0.8114760270036374
Energy: 0.839651225385687
Energy: 0.9573056858981437
Energy: 0.8404463722018115
Energy: 0.8457414859732308
Energy: 0.9148460322690917
Energy: 0.8291144346401929
Energy: 0.8353320606956983
Energy: 0.7917908344609574
Energy: 0.8134943132551373
Energy: 0.928436936852388
Energy: 0.9263185107770672
Energy: 0.8138505791648115
Energy: 0.9303951634306866
Energy: 0.9161990015920219
Energy: 0.873189595958132
Energy: 0.8143454685884343
Energy: 0.8726968320164337
Energy: 0.9153643124796899
Energy: 0.853771847579559
Energy: 0.9349497653014688
Energy: 0.8507395000685845
Energy: 0.8481725400859398
Energy: 0.9356433352462854
Energy: 0.8457395392488669
Energy: 0.84672645355881
Energy: 0.7988904600999995
Energy: 0.8453930549764911
Energy: 0.8465261064159066
Energy: 0.8556748022875239
Energy: 0.8943124399856247
Energy: 0.8440036195883247
Energy: 0.7958463405704365
Energy: 0.8478202817076226
Energy: 0.8432109503260564
Energy: 0.7966735432087986
Energy: 0.8675290413166097
Energy: 0.8471030275257257
Energy: 0.7931815454618099
Energy: 0.7996983404312726
Energy: 0.8166816101605413
Energy: 0.8463579630884708
Energy: 0.7725329619406425
Energy: 0.8502015196735976
Energy: 0.7826931375015096
Energy: 0.8134202279859439
Energy: 0.8126821017894283
Energy: 0.7788551412877117
Energy: 0.8028555469197431
Energy: 0.7928897575028836
Energy: 0.7932356339117055
Energy: 0.8323427356368894
Energy: 0.8041087861891089
Energy: 0.793391479726026
Energy: 0.8356448490126684
Energy: 0.8046831158043272
Energy: 0.7679508049338623
Energy: 0.772610431372067
Energy: 0.803198797467857
Energy: 0.7997445897842669
Energy: 0.7708568576200571
Energy: 0.8028225302953739
Energy: 0.7688987871384029
Energy: 0.8178881215024874
Energy: 0.8228862071110631
Energy: 0.7705120808505935
Energy: 0.8242193743489815
Energy: 0.8256704219864879
Energy: 0.7704125804240938
Energy: 0.8164147672399972
Energy: 0.8149033855393534
Energy: 0.7698955202048628
Energy: 0.8542066976978552
Energy: 0.8121080787898027
Energy: 0.8574059760002067
Energy: 0.8037394967805929
Energy: 0.8027509999858464
Energy: 0.8581944952584871
Energy: 0.7976679444137675
Energy: 0.829268550840415
Energy: 0.8270690708512214
Energy: 0.830688534663652
Energy: 0.8183817844449014
Energy: 0.8272693032016951
Energy: 0.8426602093626545
Energy: 0.8302734761624382
Energy: 0.7720517212193313
Energy: 0.7926461044039431
Energy: 0.8960075559289286
Energy: 0.8915124398405703
Energy: 0.7927997193388342
Energy: 0.8976631678617513
Energy: 0.8972383472510947
Energy: 0.8589949463757652
Energy: 0.8550642771882181
Energy: 0.8972727557773511
Energy: 0.8595777928612786
Energy: 0.8576608930535744
Energy: 0.8108277924779723
Energy: 0.9137411322264958
Energy: 0.8688715700756234
Energy: 0.8501302327687339
Energy: 0.8107013797344625
Energy: 0.8656941206576041
Energy: 1.0269495857150626
Energy: 0.8469554287188965
Energy: 0.8566331265622366
Energy: 0.8890482002508867
Energy: 0.8191312117198664
Energy: 0.8679324578434573
Energy: 0.9492709256495593
Energy: 0.8907713296969129
Energy: 0.8760490525599247
Energy: 0.9051373133767489
Energy: 0.9202814038912195
Energy: 0.9292612625236673

minimum gb energy = 0.7679508049338623 eV
minimum distance =  2.28890456483719 Angstroms
sigma value = 33


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

Energy: 0.9443745387972818
Energy: 1.1877016438797519
Energy: 1.189712126226652
Energy: 1.0544293683232444
Energy: 0.9311357491670126
Energy: 1.056290621307982
Energy: 0.9754578676047265
Energy: 1.0700185022891031
Energy: 1.0586008154766036
Energy: 0.9307907619293401
Energy: 1.0270020609527546
Energy: 1.0584788121332285
Energy: 1.1873642886457159
Energy: 0.9506080248605822
Energy: 0.9512640297090039
Energy: 1.0674706692693352
Energy: 1.0259122810701382
Energy: 0.9505401715298151
Energy: 1.071330905399438
Energy: 0.9502046103613937
Energy: 0.9507736698282903
Energy: 1.069687478202436
Energy: 0.9085658316165793
Energy: 0.9508321101877876
Energy: 0.9863094203603641
Energy: 0.971846523665842
Energy: 0.972217393157368
Energy: 0.9760202062253116
Energy: 1.0269751617245937
Energy: 0.9702990006161577
Energy: 0.9006736606871537
Energy: 0.916453186887743
Energy: 0.9527926205933318
Energy: 1.0148764546774998
Energy: 0.9159841911624075
Energy: 0.9805905849062311
Energy: 1.018760298542116
Energy: 1.0170705257680666
Energy: 1.0073116041717514
Energy: 0.9759795329889436
Energy: 0.9720433616464397
Energy: 0.9594149483898708
Energy: 1.0351531596329966
Energy: 0.9408358369362686
Energy: 0.9416770814567542
Energy: 1.0351122245299078
Energy: 0.9776766547316891
Energy: 0.9537902732210723
Energy: 0.8993220187088832
Energy: 0.953998982968503
Energy: 0.9557896018885794
Energy: 0.9791049219888452
Energy: 0.9380804750044514
Energy: 0.9542386157845062
Energy: 0.9097714454273645
Energy: 0.9584674352390564
Energy: 0.935197602623448
Energy: 0.9110111437929578
Energy: 0.9529677881237447
Energy: 0.9298895426171545
Energy: 0.918451244533916
Energy: 0.9002489188513842
Energy: 0.9274676139338548
Energy: 0.9346384992589958
Energy: 0.9015257207888075
Energy: 0.9267339654217451
Energy: 0.9516686853125723
Energy: 0.9473482905435254
Energy: 0.9263517077250415
Energy: 0.9518242661469178
Energy: 0.9357845059206434
Energy: 0.930613757141799
Energy: 0.9514647443442025
Energy: 0.9551093631490886
Energy: 1.0108164719840527
Energy: 0.9515347179916359
Energy: 0.9586894773252026
Energy: 0.9356697524990875
Energy: 0.9002587284079847
Energy: 0.9387702389512759
Energy: 0.9395233432933979
Energy: 0.9482447911949525
Energy: 0.9011785171909937
Energy: 0.9164231861190965
Energy: 0.9057437238893975
Energy: 0.9741609499866296
Energy: 0.9595348282042088
Energy: 0.9073540719050036
Energy: 1.0361610034586233
Energy: 0.9537579108308577
Energy: 0.9377345008001093
Energy: 0.9663173135971656
Energy: 0.9667496209926364
Energy: 0.9722907638734194
Energy: 0.9641916533236423
Energy: 0.9730402153904463
Energy: 1.1434670288323918
Energy: 0.9665567126800721
Energy: 0.966863344243645
Energy: 1.0083865141230597
Energy: 0.9666299864034087
Energy: 0.9669270181204842
Energy: 1.127720447340431
Energy: 1.0599474350261755
Energy: 1.1018787016445206
Energy: 0.9735549761279677
Energy: 1.009021063153918
Energy: 1.092875548734688
Energy: 0.9023236133644947
Energy: 1.0079943559453166
Energy: 0.9251188518846385
Energy: 1.0479851958548323
Energy: 1.0005490914700528
Energy: 1.047950572254622
Energy: 0.9761202819123918
Energy: 1.0068246565475407
Energy: 0.9712255842948714
Energy: 0.9664860604214679
Energy: 1.0276314269060804
Energy: 0.9701915763434911
Energy: 1.1888820601596646
Energy: 0.9500110654264273
Energy: 0.9511064947809342
Energy: 1.06952496348816
Energy: 1.035128215799999
Energy: 0.9505906437406108
Energy: 1.068464742723158
Energy: 0.9506740594440553
Energy: 0.9511120840017625
Energy: 1.0683766888051833
Energy: 0.998336171496498
Energy: 0.9508572386815543
Energy: 0.9859566580236753
Energy: 0.9724600389091003
Energy: 0.97210529552739
Energy: 1.0009301536428379
Energy: 1.0267255798493473
Energy: 0.9702567311928217
Energy: 0.9006165002436978
Energy: 0.9161617118172877
Energy: 0.9448499209164228
Energy: 1.0149198853857189
Energy: 0.9070898911341055
Energy: 1.0173468402535373
Energy: 1.0190138326295002
Energy: 0.9739392831037058
Energy: 1.0189923068455735
Energy: 0.9607031632507208
Energy: 0.9731065034446713
Energy: 1.023191764031506
Energy: 1.0348698810521206
Energy: 0.9415506523544087
Energy: 0.9541213709024079
Energy: 1.0350930988183045
Energy: 0.9776928247866122
Energy: 0.9547112704236738
Energy: 0.9088072335913533
Energy: 0.9537687831356967
Energy: 0.9544077007632378
Energy: 0.910074101829252
Energy: 0.9354379838834626
Energy: 0.9552736337770489
Energy: 0.9090140593267036
Energy: 0.9573762045084347
Energy: 0.9583889808626591
Energy: 0.9103864177970044
Energy: 0.9777831336937594
Energy: 0.954308089353663
Energy: 0.8973959675711204
Energy: 0.9741280000323218
Energy: 0.9270170784681435
Energy: 0.9679855621959554
Energy: 0.9766918744557641
Energy: 0.947464016732679
Energy: 0.9515567955443699
Energy: 0.9632707993573439
Energy: 0.9256472828661967
Energy: 0.9516270251099702
Energy: 0.9684266721847548
Energy: 0.9163027950712996
Energy: 0.9515389335845164
Energy: 0.9261946820403525
Energy: 0.9397451824280532
Energy: 0.9514533250582459
Energy: 0.9571049143706479
Energy: 0.9336274339404342
Energy: 0.9029942371621151
Energy: 0.9433926211912516
Energy: 0.9431401094201538
Energy: 0.9160363670244795
Energy: 0.9124110995362397
Energy: 0.9113642087526997
Energy: 0.9039480168339115
Energy: 0.974854604621171
Energy: 0.9599737379941544
Energy: 0.9078360699310988
Energy: 1.0369097659331559
Energy: 0.9542393793244134
Energy: 0.9864011562633115
Energy: 1.0285510210381381
Energy: 1.0166030504675032
Energy: 0.972576009017571
Energy: 1.015084118571677
Energy: 0.973688745247793
Energy: 1.1425645849780728
Energy: 0.9672378781671254
Energy: 0.9676036911439434
Energy: 1.1424077325216517
Energy: 0.9784369449324574
Energy: 0.9676171027434256
Energy: 1.1287485911867339
Energy: 1.1017064481012626
Energy: 1.1096230214359972
Energy: 1.0097639412572885
Energy: 1.0102291736370108
Energy: 0.9715940455972091
Energy: 0.9025593885346874
Energy: 1.0082006966772583
Energy: 0.9252188546187144
Energy: 1.0477741839090315
Energy: 1.0078596774978172
Energy: 1.0112525928279843

minimum gb energy = 0.8973959675711204 eV
minimum distance =  2.31151920635767 Angstroms
sigma value = 41


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

Energy: 1.152757242283166
Energy: 1.1586172848236074
Energy: 1.1532245925370754
Energy: 1.2084778318218306
Energy: 1.120418618983558
Energy: 1.15285059718969
Energy: 1.1533276951534353
Energy: 1.2206527864822274
Energy: 1.2056552029183407
Energy: 1.100405432450486
Energy: 1.223550250202497
Energy: 1.2059174144552647
Energy: 1.3687405608878729
Energy: 1.132920919324762
Energy: 1.1210140773564206
Energy: 1.2155314388336065
Energy: 1.1315196563598826
Energy: 1.1209684525230472
Energy: 1.2150976440076975
Energy: 1.1210644507216119
Energy: 1.1214051546509618
Energy: 1.216218757368358
Energy: 1.2056550656590772
Energy: 1.214712414505256
Energy: 1.1705910091897742
Energy: 1.1220626430612877
Energy: 1.1246130513533128
Energy: 1.2474643655832844
Energy: 1.1665566866012296
Energy: 1.1223198350835375
Energy: 1.0868780094280548
Energy: 1.087718600091217
Energy: 1.1219389483718123
Energy: 1.1103859559535307
Energy: 1.088955477392086
Energy: 1.1315185362053821
Energy: 1.2484271779153848
Energy: 1.1147661871702161
Energy: 1.1582195470920644
Energy: 1.1937048155711967
Energy: 1.11362983574915
Energy: 1.1688917363101075
Energy: 1.2412470348321052
Energy: 1.1082957126565212
Energy: 1.1225668075419564
Energy: 1.2414400816746396
Energy: 1.1197278188752082
Energy: 1.1185339911192764
Energy: 1.055293734587882
Energy: 1.1188078658351797
Energy: 1.1165723734748743
Energy: 1.0778332540920945
Energy: 1.1375392274689051
Energy: 1.1160480002497228
Energy: 1.0882124726449625
Energy: 1.1167866914145912
Energy: 1.116607458348054
Energy: 1.1302068624407617
Energy: 1.166167284583279
Energy: 1.1187963844767617
Energy: 1.0870177983473135
Energy: 1.2475944928361893
Energy: 1.1219591045583304
Energy: 1.1089281555292099
Energy: 1.210598571058328
Energy: 1.1259191338135766
Energy: 1.3151836546505136
Energy: 1.1214993511075968
Energy: 1.114117882709785
Energy: 1.3152643159878408
Energy: 1.1264298961635621
Energy: 1.1131470422769838
Energy: 1.2945533187135416
Energy: 1.2146128786870027
Energy: 1.212841504316225
Energy: 1.16784690296402
Energy: 1.2308445779194792
Energy: 1.1219093975806207
Energy: 1.116677532824884
Energy: 1.1647572424546526
Energy: 1.1182352190608777
Energy: 1.133575475155782
Energy: 1.1647690022532493
Energy: 1.1187473525757923

minimum gb energy = 1.055293734587882 eV
minimum distance =  2.35398902905444 Angstroms
sigma value = 11


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

Energy: 1.3389644946297017
Energy: 1.4778811359599906
Energy: 1.5031477712464423
Energy: 1.3578270715420437
Energy: 1.5093861984250638
Energy: 1.3839983474989654
Energy: 1.4575169796113523
Energy: 1.2949931396363763
Energy: 1.300128951597324
Energy: 1.2858950469374129
Energy: 1.2944596773740027
Energy: 1.3010227053127812
Energy: 1.519846655250375
Energy: 1.3023630138958846
Energy: 1.303073486739511
Energy: 1.5198354811303847
Energy: 1.3014028955291244
Energy: 1.3055761066561842
Energy: 1.2388115676082714
Energy: 1.30178848357276
Energy: 1.2877601878105844
Energy: 1.2464412797179663
Energy: 1.2974120468854753
Energy: 1.3098806974886166
Energy: 1.2665664631855653
Energy: 1.24148691824926
Energy: 1.2400860479913807
Energy: 1.2423602364442112
Energy: 1.3103262384976246
Energy: 1.239894800259712
Energy: 1.2339374894807238
Energy: 1.2734952356435907
Energy: 1.2371897779558334
Energy: 1.2236129745311422
Energy: 1.2387693115059062
Energy: 1.237592062109707
Energy: 1.285918282013273
Energy: 1.2223641620574037
Energy: 1.2220272944921333
Energy: 1.331958729617102
Energy: 1.2223004105514692
Energy: 1.272025848305353
Energy: 1.3771389817828843
Energy: 1.225931359288767
Energy: 1.2227909553182708
Energy: 1.3366810697897995
Energy: 1.2963052190794173
Energy: 1.2249246279678239
Energy: 1.2835324673476614
Energy: 1.3112794352420014
Energy: 1.3127867034248175
Energy: 1.3130920663548404
Energy: 1.311015687769991
Energy: 1.3375566199505424
Energy: 1.275083901939387
Energy: 1.3112212080545786
Energy: 1.309256223679958
Energy: 1.306686144623868
Energy: 1.4144354571308837
Energy: 1.3380362419449914
Energy: 1.3848758988363337
Energy: 1.285059510355993
Energy: 1.3271670162044595
Energy: 1.38637536526324
Energy: 1.2704126728183118
Energy: 1.349722023301977
Energy: 1.297290139751501
Energy: 1.2768386528576903
Energy: 1.2871482800157468
Energy: 1.2973347453795765
Energy: 1.2604735700553757
Energy: 1.3424844844663184
Energy: 1.3394812047696631
Energy: 1.2634716221648568
Energy: 1.2638024203225418
Energy: 1.314948466793552
Energy: 1.2634443782981062
Energy: 1.3717253161749168
Energy: 1.2542551650156706
Energy: 1.28548356569405
Energy: 1.308417847422901
Energy: 1.2461742587590767
Energy: 1.5184068766275103
Energy: 1.30636845679956
Energy: 1.2733912661996933
Energy: 1.3070147128881897
Energy: 1.3066252665500475
Energy: 1.3223048694651371
Energy: 1.2851186323376678
Energy: 1.3043205362854948
Energy: 1.3663318544810716
Energy: 1.2377095523493176
Energy: 1.2535144851185227
Energy: 1.3676370037202281
Energy: 1.2093421585365258
Energy: 1.2540210984859539
Energy: 1.3155155913069125
Energy: 1.2292319314060869
Energy: 1.2493643054391943
Energy: 1.2921670122846116
Energy: 1.2286152992329022
Energy: 1.2530010994348908
Energy: 1.24277238259674
Energy: 1.289718517446546
Energy: 1.3065974234473865
Energy: 1.2232734620662753
Energy: 1.2649517204401848
Energy: 1.2659938417379049
Energy: 1.3060110550330741
Energy: 1.2885160564750817
Energy: 1.229123426708548
Energy: 1.3089047014171222
Energy: 1.2880415792253095
Energy: 1.2290385962091501
Energy: 1.2727012198473135
Energy: 1.3343982305101758
Energy: 1.3365721030874214
Energy: 1.2729525245265472
Energy: 1.3325936556271507
Energy: 1.268917625188441
Energy: 1.4616311527163326
Energy: 1.3343254290898932
Energy: 1.3419132657977642
Energy: 1.4623071857107914
Energy: 1.3427273483449997
Energy: 1.3196517285785259
Energy: 1.3326776562903393
Energy: 1.2875599935362692
Energy: 1.2852011775758567
Energy: 1.3062516364569066
Energy: 1.325342262556415
Energy: 1.2849366640778266
Energy: 1.299271560599686
Energy: 1.2825702857840748
Energy: 1.3338973834978736
Energy: 1.2598796453623287
Energy: 1.2844815354615526
Energy: 1.3343355939154289
Energy: 1.4507014414743011
Energy: 1.3380702887957758
Energy: 1.280649322716353
Energy: 1.2948435127445905
Energy: 1.328843935675202
Energy: 1.2799107868616058
Energy: 1.2884462415872122
Energy: 1.246292068424734
Energy: 1.245563060227287
Energy: 1.2885905826674635
Energy: 1.2223406273715511
Energy: 1.248956701242555
Energy: 1.2458752276959126
Energy: 1.2931249543287908
Energy: 1.2645910243997176
Energy: 1.2056321278477857
Energy: 1.2944201914453604
Energy: 1.2665772995496722
Energy: 1.2302939305027403
Energy: 1.256432643582992
Energy: 1.2538670952656523
Energy: 1.2218838709160122
Energy: 1.3292180166306347
Energy: 1.2529061586392294
Energy: 1.2299313836821415
Energy: 1.356446982602787
Energy: 1.3077606252584018
Energy: 1.2274481468723535
Energy: 1.3166579710342514
Energy: 1.3083459791712622
Energy: 1.5800746765501041
Energy: 1.269191483325339
Energy: 1.2692627849297438
Energy: 1.5806629272940862
Energy: 1.2221171596791238
Energy: 1.2744148468828647
Energy: 1.5224505147957705
Energy: 1.2967830596008023
Energy: 1.3663586335860722
Energy: 1.2654837609630205
Energy: 1.305173054018477
Energy: 1.2541204176150433
Energy: 1.3119126753452048
Energy: 1.3069291754636159
Energy: 1.3448277783058882
Energy: 1.2926820004155202
Energy: 1.3054618261018787
Energy: 1.2333042200144255

minimum gb energy = 1.2056321278477857 eV
minimum distance =  2.30106935923247 Angstroms
sigma value = 57


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

Energy: 2.074235868335841
Energy: 1.334637752166432
Energy: 1.3312433054009412
Energy: 1.3344010842415304
Energy: 1.3930527391652112
Energy: 1.3297946063804573
Energy: 1.4289208993137201
Energy: 1.3709741947744294
Energy: 1.371020298341505
Energy: 1.3953209155905126
Energy: 1.3622863355756059
Energy: 1.37347398690272
Energy: 1.4994629768594234
Energy: 1.3315044171777968
Energy: 1.3342119938598516
Energy: 1.499615763122241
Energy: 1.2958237321685802
Energy: 1.3619230270956044
Energy: 1.3921137257639955
Energy: 1.3356199202908579
Energy: 1.3859148068034426
Energy: 1.3628794645760796
Energy: 1.3642837296720152
Energy: 1.352985743765569
Energy: 1.40616319776929
Energy: 1.3338344278030023
Energy: 1.3315914986671118
Energy: 1.3319798724996752
Energy: 1.3626262806153975
Energy: 1.3320301964423125
Energy: 1.416794417292223
Energy: 1.3785034864422254
Energy: 1.3785696719126084
Energy: 1.3348000753077738
Energy: 1.3802356439610142
Energy: 1.3321599572198948
Energy: 1.4009193507156017
Energy: 1.2959977837729428
Energy: 1.2948489495857713
Energy: 1.3719766477826705
Energy: 1.296503599543252
Energy: 1.3791759662162593
Energy: 1.4998344478736148
Energy: 1.3860114022214785
Energy: 1.3653956997704688
Energy: 1.363386939225981
Energy: 1.4406256170747946
Energy: 1.333109893433406
Energy: 1.3793373126259283
Energy: 1.3623291729798368
Energy: 1.2950891941956562
Energy: 1.2951851817397755
Energy: 1.3624116274779736
Energy: 1.2945599044987237
Energy: 1.3795052638708498
Energy: 1.3626832322933549
Energy: 1.295168316322682
Energy: 1.2957047863780013
Energy: 1.499984953385038
Energy: 1.294643859142755
Energy: 1.4998029063401994
Energy: 1.3701014636385764
Energy: 1.307319183864929
Energy: 1.363353577131727
Energy: 1.354177235709679
Energy: 1.3550618104210737
Energy: 1.3897586313883576
Energy: 1.2954316129386716
Energy: 1.331816009292091
Energy: 1.3905823377272537
Energy: 1.296050318736355
Energy: 1.3620938557816478
Energy: 1.41796780611369
Energy: 1.3711383650403388
Energy: 1.3718984695300962
Energy: 1.3960789810875325
Energy: 1.370751245029142
Energy: 1.3368292715678793
Energy: 1.3909976728979703
Energy: 1.3316112307354455
Energy: 1.3314001874433545
Energy: 1.3342599145185168
Energy: 1.3991675605430214
Energy: 1.331287829466702
Energy: 1.4001739121357075
Energy: 1.2986602127965976
Energy: 1.2968074652430488
Energy: 1.296614785739261
Energy: 1.298848815254822
Energy: 1.296417607382452
Energy: 1.5751519912974112
Energy: 1.3307235410614846
Energy: 1.363582597894758
Energy: 1.4787397630620822
Energy: 1.2961104413510898
Energy: 1.333366146007941
Energy: 1.4285639556996113
Energy: 1.3707884268982813
Energy: 1.3710580659613298
Energy: 1.3967100515452124
Energy: 1.3619320091016704
Energy: 1.37293727928679

minimum gb energy = 1.2945599044987237 eV
minimum distance =  2.27505464771723 Angstroms
sigma value = 9


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

Energy: 1.5065976729017276
Energy: 1.34805843725242
Energy: 1.4881628979254522
Energy: 1.3930123438972308
Energy: 1.4197423252838774
Energy: 1.4907666177835397
Energy: 1.5079331418111568
Energy: 1.3322961111502507
Energy: 1.313962156184242
Energy: 1.3007173930779392
Energy: 1.356358305213133
Energy: 1.3130331513715585
Energy: 1.4703350941805309
Energy: 1.4104410344585019
Energy: 1.388135800819336
Energy: 1.556851302895191
Energy: 1.3748007735334955
Energy: 1.3872250787596168
Energy: 1.3679017778911742
Energy: 1.3042951042779696
Energy: 1.302145977213208
Energy: 1.364472332597713
Energy: 1.3109114706044183
Energy: 1.304572867520197
Energy: 1.469860009387263
Energy: 1.3041428455402964
Energy: 1.3953217723695384
Energy: 1.3441292203150228
Energy: 1.404172212168548
Energy: 1.3974181498513205
Energy: 1.3094302097893995
Energy: 1.3092121176908809
Energy: 1.308781730825579
Energy: 1.3089979887763619
Energy: 1.2743788098815687
Energy: 1.2360464756467087
Energy: 1.3912880818011946
Energy: 1.40870908030307
Energy: 1.359729107199348
Energy: 1.382682907766795
Energy: 1.4077690584464408
Energy: 1.3599464872435998
Energy: 1.4847706066611628
Energy: 1.263305763570478
Energy: 1.2375228151775657
Energy: 1.4718946340401564
Energy: 1.294747955714783
Energy: 1.2389704005441302
Energy: 1.463876652187678
Energy: 1.2630568849617587
Energy: 1.2618534998385504
Energy: 1.3421447931681436
Energy: 1.3457697829115336
Energy: 1.3862504381698624
Energy: 1.4639895870921458
Energy: 1.2629636777250939
Energy: 1.262437375801117
Energy: 1.327034378428685
Energy: 1.314750693051603
Energy: 1.261166298562359
Energy: 1.4864261402944936
Energy: 1.2801955820662836
Energy: 1.3335639633351455
Energy: 1.3542546725397246
Energy: 1.3356362697931996
Energy: 1.331936061785953
Energy: 1.4438403494411316
Energy: 1.3359273679394599
Energy: 1.3382946437275323
Energy: 1.38663824913016
Energy: 1.2939603763496974
Energy: 1.3842709363732737
Energy: 1.48365026460255
Energy: 1.3256087695247338
Energy: 1.3665692895426773
Energy: 1.4071493592721582
Energy: 1.326645262375718
Energy: 1.372240063379049
Energy: 1.5222882730342877
Energy: 1.3283487465666417
Energy: 1.3266520923975282
Energy: 1.4026681456558696
Energy: 1.368407329107216
Energy: 1.3265363508111794
Energy: 1.4410442162627717
Energy: 1.260685488560006
Energy: 1.2597584362448673
Energy: 1.4341196746996652
Energy: 1.2698891319469798
Energy: 1.3454259298251388
Energy: 1.4254456459646787
Energy: 1.3677477044638386
Energy: 1.3476882168314632
Energy: 1.4254721592979513
Energy: 1.3266997679659214
Energy: 1.3514091469281357
Energy: 1.4537100252737996
Energy: 1.3422645740855808
Energy: 1.3402817309627677
Energy: 1.4811438733877915
Energy: 1.343889697047563
Energy: 1.3409736976105557
Energy: 1.5242221144415653
Energy: 1.415118627884679
Energy: 1.4133785689750031
Energy: 1.4070563657125938
Energy: 1.4213240048306042
Energy: 1.4168877417974755
Energy: 1.4103396243664132
Energy: 1.4095798484027597
Energy: 1.368619358773503
Energy: 1.3791650220205691
Energy: 1.4038554271162222
Energy: 1.3790615115877332
Energy: 1.6704902123055023
Energy: 1.409384992501066
Energy: 1.4070755973095377
Energy: 1.441993241355296
Energy: 1.4007392912206793
Energy: 1.4072100763406248
Energy: 1.435477295234578
Energy: 1.3469126468267303
Energy: 1.3119299576392356
Energy: 1.3130848670807906
Energy: 1.356657014667356
Energy: 1.3134732811645813

minimum gb energy = 1.2360464756467087 eV
minimum distance =  2.28137690098527 Angstroms
sigma value = 27


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

Energy: 1.4873395084102072
Energy: 1.3737085193628273
Energy: 1.3704182651397174
Energy: 1.490258765281063
Energy: 2.0973229256573727
Energy: 1.3700343370448587
Energy: 1.3882558395621893
Energy: 1.325243391631878
Energy: 1.3222340989797048
Energy: 1.3751455065171505
Energy: 1.3565321428148687
Energy: 1.3215260520516088
Energy: 1.4577931986079056
Energy: 1.3783257990025808
Energy: 1.3782405166229252
Energy: 1.4588026930544693
Energy: 1.4333176939686192
Energy: 1.4085921154594445
Energy: 1.4331163959070983
Energy: 1.2751245769929587
Energy: 1.340411205269003
Energy: 1.4101072017991472
Energy: 1.2758793917597122
Energy: 1.340837558108028
Energy: 1.3692775169349092
Energy: 1.374191213453947
Energy: 1.3664963015426208
Energy: 1.3712202146497448
Energy: 1.3556915728818766
Energy: 1.3660965543413686
Energy: 1.398682515846233
Energy: 1.3264642115039054
Energy: 1.3242321125454735
Energy: 1.4023636439907317
Energy: 1.322182189805996
Energy: 1.3237983609196802
Energy: 1.4331541514390371
Energy: 1.3684325052194342
Energy: 1.366892114676519
Energy: 1.433178453252281
Energy: 1.364717666158266
Energy: 1.3662729287676025
Energy: 1.5729378535518062
Energy: 1.3251047857835623
Energy: 1.321684337320714
Energy: 1.3573724114531138
Energy: 1.3257152014728217
Energy: 1.3215814232195386
Energy: 1.5814210544512979
Energy: 1.4101104294930225
Energy: 1.4114799153179227
Energy: 1.3404636585579557
Energy: 1.4113198137041305
Energy: 1.339788788763552
Energy: 1.5848493277858442
Energy: 1.408897518895025
Energy: 1.34131951983971
Energy: 1.3401895006772775
Energy: 1.4094440936301056
Energy: 1.342130544736379
Energy: 1.574577777325373
Energy: 1.3730188485186727
Energy: 1.3704606355909201
Energy: 1.5755650703115454
Energy: 1.3720201397264484
Energy: 1.3228705530054867
Energy: 1.6050063887462205
Energy: 1.324408185304567
Energy: 1.3215325881967712
Energy: 1.356637199360848
Energy: 1.328877881525367
Energy: 1.3212224940673778
Energy: 1.3682519601894771
Energy: 1.3553762739838857
Energy: 1.3654033873985025
Energy: 1.3640660430697304
Energy: 1.3575848861076336
Energy: 1.3641300896873538
Energy: 1.3685864502340666
Energy: 1.326756644025348
Energy: 1.3235119447842623
Energy: 1.3256970928779859
Energy: 1.3587000477576483
Energy: 1.323594530793101
Energy: 1.460766418527821
Energy: 1.3456577588179908
Energy: 1.3425991230676153
Energy: 1.4101459635356715
Energy: 1.3398877593471339
Energy: 1.341054382773335
Energy: 1.4376197973250728
Energy: 1.3838285419682392
Energy: 1.3403528601133392
Energy: 1.4118278185784339
Energy: 1.3401850392217431
Energy: 1.4099356730009711
Energy: 1.3723132223984273
Energy: 1.3247764676180567
Energy: 1.3218232700100643
Energy: 1.370625706907009
Energy: 1.3296603114801986
Energy: 1.3211210309891843
Energy: 1.4293119212103966
Energy: 1.3744416358635412
Energy: 1.3715819417738617
Energy: 1.4311468525487183
Energy: 1.4094947108358966
Energy: 1.3705517725043652
Energy: 1.434548364734367
Energy: 1.326829137270394
Energy: 1.3239294434459898
Energy: 1.3993375228738756
Energy: 1.3643273175769899
Energy: 1.3235982807423576
Energy: 1.5779592351841807
Energy: 1.3264779393912183
Energy: 1.323796271464815
Energy: 1.5786941377273338
Energy: 1.373197701981751
Energy: 1.3234640080629703
Energy: 1.5551523228662951
Energy: 1.341671822667005
Energy: 1.3411169523960549
Energy: 1.3371453377138345
Energy: 1.4092200251997296
Energy: 1.339737521016253
Energy: 1.4298483818451098
Energy: 1.4080386319699272
Energy: 1.408296652689657
Energy: 1.4309151352567309
Energy: 1.4081944652823357
Energy: 1.3399036970500737
Energy: 1.5730760915777289
Energy: 1.3744704520360826
Energy: 1.3222905453175942
Energy: 1.3225223907404957
Energy: 1.3749522107060537
Energy: 1.3219438853198544
Energy: 1.4597260135826486
Energy: 1.36872892071796
Energy: 1.367062179754976
Energy: 1.4102699727814068
Energy: 1.365043794762681
Energy: 1.3659726465357729
Energy: 1.3683963727036663
Energy: 1.32612537821361
Energy: 1.3241555678431436
Energy: 1.325783872766566
Energy: 1.358335563116992
Energy: 1.3234626011247204

minimum gb energy = 1.2751245769929587 eV
minimum distance =  2.31270758759848 Angstroms
sigma value = 19


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

Energy: 2.3225791682258343
Energy: 1.6558322776946104
Energy: 1.531140816444377
Energy: 1.271802226382569
Energy: 1.456656997204846
Energy: 1.5558460651098636
Energy: 1.5147545216717966
Energy: 1.317472282519099
Energy: 1.249557285783715
Energy: 1.2556482262526447
Energy: 1.3296333826865498
Energy: 1.2496115749866312
Energy: 1.3366075073984243
Energy: 1.3308533962562565
Energy: 1.3313394973565658
Energy: 1.328091741054677
Energy: 1.3311875646265505
Energy: 1.3073906651545901
Energy: 1.3655830850028636
Energy: 1.2493891789065692
Energy: 1.249822132408613
Energy: 1.2545478788224618
Energy: 1.2496368992544133
Energy: 1.2493302184079638
Energy: 1.4488838487728615
Energy: 1.3490395173222167
Energy: 1.3475128403859427
Energy: 1.4130199789684377
Energy: 1.4009321648412913
Energy: 1.3302110911201133
Energy: 1.3536723479606152
Energy: 1.2497801104810058
Energy: 1.2499778503121366
Energy: 1.3537354175684015
Energy: 1.2497437819258916
Energy: 1.2500110625119307
Energy: 1.4174384960698942
Energy: 1.29891171460147
Energy: 1.3071223675826669
Energy: 1.4075493826610532
Energy: 1.2996418882243626
Energy: 1.3037311793378838
Energy: 1.3607454092437132
Energy: 1.2421426650108893
Energy: 1.2547069808972031
Energy: 1.3369716463180803
Energy: 1.2427144575177316
Energy: 1.2546108452430336
Energy: 1.3748298725289931
Energy: 1.2926697778196652
Energy: 1.3103961858075819
Energy: 1.3722362540652133
Energy: 1.3063732536243566
Energy: 1.309435940072769
Energy: 1.3380327822997877
Energy: 1.249321359825766
Energy: 1.2471654831704804
Energy: 1.3240782100315975
Energy: 1.2471808518169762
Energy: 1.2475658622078045
Energy: 1.3922779146347455
Energy: 1.295728706444699
Energy: 1.2952917452713917
Energy: 1.3927137642152212
Energy: 1.296587751961314
Energy: 1.2953539859255434
Energy: 1.4927274790695233
Energy: 1.2945739567384054
Energy: 1.2547904229495062
Energy: 1.2832053413612066
Energy: 1.3067204593798059
Energy: 1.2477802134087894
Energy: 1.4322931589208863
Energy: 1.294082628173924
Energy: 1.30052363871399
Energy: 1.2870218398428128
Energy: 1.3048551831369963
Energy: 1.294307543452213
Energy: 1.4120880371061053
Energy: 1.2838501072680193
Energy: 1.270246188457257
Energy: 1.2441911079180168
Energy: 1.2838211492006484
Energy: 1.2471714384386665
Energy: 1.497081994132006
Energy: 1.3309888527407623
Energy: 1.3121930934601185
Energy: 1.257821797644444
Energy: 1.3414235858380332
Energy: 1.3232197944099504
Energy: 1.4458552405107035
Energy: 1.3246717654487963
Energy: 1.235952206391621
Energy: 1.318463737329474
Energy: 1.3425318998521905
Energy: 1.2340728150696172
Energy: 1.345034587524533
Energy: 1.2904941913427974
Energy: 1.2986974216791884
Energy: 1.2961681599727284
Energy: 1.354937240334504
Energy: 1.2993308562626376
Energy: 1.3745057653189254
Energy: 1.2831440021095313
Energy: 1.2599264032274098
Energy: 1.2907080078797475
Energy: 1.2837068798501179
Energy: 1.2525178546240916
Energy: 1.4092404707283361
Energy: 1.2756152835798344
Energy: 1.2906631061097316
Energy: 1.3368205058314246
Energy: 1.2868496221052017
Energy: 1.29367035824823
Energy: 1.3565008342786489
Energy: 1.2510768889015313
Energy: 1.2637224150291455
Energy: 1.3069108820569886
Energy: 1.2754045306929767
Energy: 1.2797524304977634
Energy: 1.3822035655619334
Energy: 1.2478722980928458
Energy: 1.3182679092189684
Energy: 1.3596679315168554
Energy: 1.25941804306224
Energy: 1.317530783729506
Energy: 1.3584134210956686
Energy: 1.264013929763063
Energy: 1.2612495534113517
Energy: 1.3525043473505745
Energy: 1.2493186977221271
Energy: 1.2917435071024963
Energy: 1.3343555395866045
Energy: 1.2996898249590938
Energy: 1.2878739015990344
Energy: 1.316314821248847
Energy: 1.275281015464226
Energy: 1.2867598331881371
Energy: 1.3438732329316752
Energy: 1.2567858032185024
Energy: 1.245759003319685
Energy: 1.3450924171683931
Energy: 1.2651744422900841
Energy: 1.2739466434284035
Energy: 1.3638262327668758
Energy: 1.2776870519245789
Energy: 1.2767507331300185
Energy: 1.3083846743898628
Energy: 1.266142819891378
Energy: 1.286295586533754
Energy: 1.3907341098483563
Energy: 1.266172822607901
Energy: 1.277976131677841
Energy: 1.330443671090374
Energy: 1.2749556574445164
Energy: 1.2985358571168857
Energy: 1.3728121555064092
Energy: 1.30405370019118
Energy: 1.2716985268811631
Energy: 1.3182381424796124
Energy: 1.3641195184215824
Energy: 1.2700183592275263
Energy: 1.6524376720870761
Energy: 1.3004729099184307
Energy: 1.3009466171080475
Energy: 1.254616687782574
Energy: 1.3685676655506362
Energy: 1.2805237614872247
Energy: 1.393952165711206
Energy: 1.3735797552952407
Energy: 1.2895765151064749
Energy: 1.2718430729675112
Energy: 1.3740132865335615
Energy: 1.2606401433755445

minimum gb energy = 1.2340728150696172 eV
minimum distance =  2.30000899247286 Angstroms
sigma value = 101


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

Energy: 2.075425848405749
Energy: 1.751112189336278
Energy: 1.2772059313794275
Energy: 1.220601665142564
Energy: 1.4265973609410996
Energy: 1.2203834482712095
Energy: 1.3220540361342628
Energy: 1.1744928844322844
Energy: 1.1737562579310798
Energy: 1.1743689829806816
Energy: 1.2896079758391101
Energy: 1.1738320025264026
Energy: 1.4128568168727225
Energy: 1.2423975117107993
Energy: 1.2436376722845135
Energy: 1.3871498411663716
Energy: 1.2425120776552017
Energy: 1.2434519844531924
Energy: 1.2830309698563043
Energy: 1.1765485519366032
Energy: 1.1736611220418636
Energy: 1.180816994145103
Energy: 1.1741721034646355
Energy: 1.1730512657869223
Energy: 1.3499534874703725
Energy: 1.2508443784064176
Energy: 1.2506457026629632
Energy: 1.3266806543232705
Energy: 1.283824867181579
Energy: 1.2877758094702034
Energy: 1.290352156111293
Energy: 1.1740581084101698
Energy: 1.1750346670457996
Energy: 1.2890590383121638
Energy: 1.1744389449257158
Energy: 1.1745476676982465
Energy: 1.3150920265902946
Energy: 1.215766003373637
Energy: 1.21535125066305
Energy: 1.3155754780525988
Energy: 1.194788479919557
Energy: 1.21494900436339
Energy: 1.2853369812206006
Energy: 1.1739335550753176
Energy: 1.173462648513123
Energy: 1.2564542591132186
Energy: 1.1732334582810455
Energy: 1.1735421108865467
Energy: 1.3106995530807868
Energy: 1.230030613004886
Energy: 1.2367826568721565
Energy: 1.2679681550577693
Energy: 1.232173477910506
Energy: 1.2679192355853786
Energy: 1.296752777907997
Energy: 1.1766800184245294
Energy: 1.1736669141450495
Energy: 1.2666779091500389
Energy: 1.173840033873801
Energy: 1.1732218219480959
Energy: 1.330941442616046
Energy: 1.1838666921044643
Energy: 1.1830489906395047
Energy: 1.331929214736167
Energy: 1.1847931976516815
Energy: 1.1829697655499347
Energy: 1.311004066544262
Energy: 1.18625673113409
Energy: 1.1764219850847222
Energy: 1.312146754375433
Energy: 1.2002396766444288
Energy: 1.1752603827501498
Energy: 1.3129456991527304
Energy: 1.211771900052953
Energy: 1.2160744919900617
Energy: 1.2644339570257221
Energy: 1.2368032805090083
Energy: 1.19417584344306
Energy: 1.2880475689392397
Energy: 1.2028934726105773
Energy: 1.1777428813231308
Energy: 1.1817684900531682
Energy: 1.2035524289988113
Energy: 1.173201943277584
Energy: 1.3020045071172799
Energy: 1.271202625863213
Energy: 1.2721306434485422
Energy: 1.1917266807207092
Energy: 1.2737916991785014
Energy: 1.280749498286492
Energy: 1.5473731783883535
Energy: 1.2916696026060681
Energy: 1.174476747121128
Energy: 1.1739165820597515
Energy: 1.286636222665768
Energy: 1.173758280828945
Energy: 1.2651291043850448
Energy: 1.2931741322702408
Energy: 1.2419419735447272
Energy: 1.1838699395979595
Energy: 1.3698199565084623
Energy: 1.1825685883925108
Energy: 1.3212600273889006
Energy: 1.2584188467447521
Energy: 1.1733929502685254
Energy: 1.1728442172011082
Energy: 1.2668648228225081
Energy: 1.171395771138217
Energy: 1.320417903143602
Energy: 1.2433632138182908
Energy: 1.2054134791141153
Energy: 1.265170959462858
Energy: 1.2470376679409318
Energy: 1.206790479559467
Energy: 1.2784393403912058
Energy: 1.180748936684128
Energy: 1.1821364695850105
Energy: 1.1991648045187282
Energy: 1.1826790699917065
Energy: 1.181614537375636
Energy: 1.3536780587473751
Energy: 1.1824244581664785
Energy: 1.205412365609178
Energy: 1.3267165612399412
Energy: 1.2037355646933248
Energy: 1.2231318721929905
Energy: 1.2890471841148028
Energy: 1.1833775469199679
Energy: 1.1832809670916846
Energy: 1.2659623427825064
Energy: 1.1810187033851671
Energy: 1.1835361982104362
Energy: 1.2800185686445669
Energy: 1.1930457716900218
Energy: 1.2151486053776634
Energy: 1.2861584423334105
Energy: 1.1838578759379856
Energy: 1.2146922621876743
Energy: 1.303370491172387
Energy: 1.1729727191901729
Energy: 1.172258466827479
Energy: 1.267039454697682
Energy: 1.1732756809167686
Energy: 1.1824005957402475
Energy: 1.2913052639439848
Energy: 1.2310292349592447
Energy: 1.2294790835426195
Energy: 1.286941607713275
Energy: 1.2289808849984858
Energy: 1.2293850748572421
Energy: 1.3099014516123912
Energy: 1.1977433213423103
Energy: 1.196710935135009
Energy: 1.2823049462413036
Energy: 1.1775365467666552
Energy: 1.2334310830710846
Energy: 1.3224163539524427
Energy: 1.1838618150871598
Energy: 1.1831304596909151
Energy: 1.2863505219578177
Energy: 1.1841931780173354
Energy: 1.1830792933552385
Energy: 1.302674525093278
Energy: 1.1797101678294926
Energy: 1.1796256977015513
Energy: 1.3037043958127494
Energy: 1.1963560971042513
Energy: 1.1837136063959188
Energy: 1.290442566044774
Energy: 1.2350192129881326
Energy: 1.2359083115421876
Energy: 1.2883328192732804
Energy: 1.2275635865562762
Energy: 1.1830309651686197
Energy: 1.3130024535478837
Energy: 1.2121802622259197
Energy: 1.194355420249457
Energy: 1.2830338676721587
Energy: 1.2341435682106763
Energy: 1.1948952539411901
Energy: 1.3016965660167195
Energy: 1.2809285927390803
Energy: 1.2797803184763112
Energy: 1.1919029108444155
Energy: 1.2807152596418936
Energy: 1.2498735086817925
Energy: 1.546860487659257
Energy: 1.2465707080111363
Energy: 1.2468088299754565
Energy: 1.182739852063791
Energy: 1.287505802974767
Energy: 1.2181984880427663
Energy: 1.2651901346174164
Energy: 1.2866569410039088
Energy: 1.1960578558787482
Energy: 1.2011373614607546
Energy: 1.2863909833344596
Energy: 1.2194039413662288

minimum gb energy = 1.171395771138217 eV
minimum distance =  2.31036242351265 Angstroms
sigma value = 33


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

Energy: 0.01544848575745013
Energy: 0.01618832895749902
Energy: 0.016135528540928392
Energy: 0.017435115529829525
Energy: 1.3786439566903974
Energy: 0.015992685885685684
Energy: 0.016203570512470174
Energy: 0.10603369469037037
Energy: 0.1053759624167872
Energy: 0.10766399061789474
Energy: 0.10713442093174748
Energy: 0.10518544691179532
Energy: 1.8418652317022937
Energy: 1.37903361379051
Energy: 1.3780627493035333
Energy: 1.843138446354025
Energy: 1.3779895943635845
Energy: 1.3781370964223423
Energy: 0.5692690375154588
Energy: 0.10603369469037037
Energy: 0.1053759624163437
Energy: 0.10766399061747586
Energy: 0.10713442093174748
Energy: 0.10518544691179532

minimum gb energy = 0.01544848575745013 eV
minimum distance =  2.5229098141674 Angstroms
sigma value = 1