Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.02511922184332e-19, 2.80106938745586e-19, 3.3932979584476197e-19, 3.8767227142244395e-19, 4.2848451682032596e-19, 4.63586604694632e-19, 4.941481239881819e-19, 5.20942926015198e-19, 5.445590096003579e-19, 5.65409736315234e-19, 5.8382675672306395e-19, 6.00084043028262e-19, 6.1438667383998e-19, 6.26912490764592e-19, 6.378361310552039e-19, 6.472697470761959e-19, 6.55312673778876e-19, 6.620610417612839e-19, 6.675965620317539e-19, 6.7199293471545e-19, 6.75315849054366e-19, 6.77622983407326e-19, 6.789752204864219e-19, 6.794190234140399e-19, 6.78939972600474e-19, 6.77393872148664e-19, 6.74582052155994e-19, 6.702770035404359e-19, 6.641983453910399e-19, 6.560080184380319e-19, 6.453134894060819e-19, 6.316212878919179e-19, 6.14319382421352e-19, 5.92675578272646e-19, 5.65763817351348e-19, 5.32436941187514e-19, 4.91273819106786e-19, 4.40401506624018e-19, 3.77458395380694e-19, 2.993667040629e-19, 2.0207773231651798e-19, 8.016618962349719e-20, -7.37084564824968e-20, -2.69723231980632e-19, -5.22184612906548e-19, -8.518180357623419e-19, -1.2893228070320878e-18, -1.88206087019346e-18, -2.7055956818357997e-18, -3.88643190462648e-18, -5.650027834501979e-18, -8.43002859922074e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.02109537709924174
Energy: 0.021740389821950076
Energy: 0.6434965284668855
Energy: 1.70607053776212
Energy: 1.6970703372148617
Energy: 0.5929446198999382
Energy: 0.02165239600942082
Energy: 0.02180895100762705
Energy: 1.2198371461709316
Energy: 0.13338434964359427
Energy: 0.32113213527060425
Energy: 1.2098981466205718
Energy: 0.024096223174577266
Energy: 0.1361955246443079
Energy: 0.021649532301930112
Energy: 1.2199513393531611
Energy: 0.32299674732310535
Energy: 0.3205289894027862
Energy: 1.2119715049494328
Energy: 0.13337526145498702
Energy: 0.13584243402854038
Energy: 0.025170485992003083
Energy: 1.2269317526964754
Energy: 0.3209748013325506
Energy: 1.2121809663804108
Energy: 1.2200949616012315
Energy: 0.13406420195384655
Energy: 0.02311415913445092
Energy: 0.13405268036589016
Energy: 1.218925888519604
Energy: 0.13363593925581874
Energy: 0.3221371789466274
Energy: 1.2101702445657927
Energy: 0.02296530290391627
Energy: 0.13668429303497218
Energy: 0.021641894335997315
Energy: 1.216465222669808
Energy: 0.32091079945642836
Energy: 0.3204204172205852
Energy: 1.2150572991277366
Energy: 0.1329283990252511
Energy: 0.13574269196423094

minimum gb energy = 0.02109537709924174 eV
minimum distance =  2.46598665297418 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.9915658710843183
Energy: 2.0091015369819964
Energy: 2.137778073656555
Energy: 1.9993252886437989
Energy: 2.0498650851390647
Energy: 2.05494680613122
Energy: 2.0063654452281106
Energy: 1.932526380080744
Energy: 2.1016165712941186
Energy: 1.9841322839235265
Energy: 2.1844628615696298
Energy: 2.016764145978292
Energy: 2.0002689576433776
Energy: 2.1009937210899543
Energy: 1.9598575531778561
Energy: 2.0936839863792716
Energy: 2.0570211970836665
Energy: 2.021046237291211
Energy: 2.0396393025840878
Energy: 2.097290295311821
Energy: 2.0463785222740762
Energy: 1.9608025384154337
Energy: 2.1672496207732537
Energy: 1.9809897896854423
Energy: 2.032872496796017
Energy: 1.9883130505986022
Energy: 1.963244420954175
Energy: 2.063268661628437
Energy: 1.970092067138288
Energy: 2.0123574151912202
Energy: 1.9888456157282572
Energy: 2.0066644021756357
Energy: 2.107072892627824
Energy: 1.9963844039499594
Energy: 2.029475545681316
Energy: 2.0811364554452414
Energy: 2.0911721823119214
Energy: 1.9633261716127215
Energy: 2.066446187784215
Energy: 2.03952183862272
Energy: 2.140343880715005
Energy: 2.209644476109906
Energy: 1.9769906383189788
Energy: 2.0812582324352458
Energy: 2.001095990776646
Energy: 1.9536398244792574
Energy: 1.9704698330258565
Energy: 2.080182056133444
Energy: 2.0394434917322295
Energy: 2.045934390523439
Energy: 2.0046534829298746
Energy: 2.0730376404309854
Energy: 2.0973770006311936
Energy: 2.0350119410811884
Energy: 2.1025639396334643
Energy: 2.10750300447569
Energy: 2.008516539833917
Energy: 2.0555726823432576
Energy: 1.9808749974185165
Energy: 1.9804718671921615
Energy: 2.14256602519666
Energy: 2.0199840265937317
Energy: 2.099999920189248
Energy: 1.980271728085068
Energy: 1.9924853590621074
Energy: 1.9891130010569182
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Energy: 2.0834356805262852
Energy: 2.006212239485229
Energy: 2.017478577328259
Energy: 1.9793995263460782
Energy: 2.0756012432957736
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Energy: 1.9634488103598708
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Energy: 1.9253645848146432
Energy: 2.1848073922504216
Energy: 2.2156288330735645
Energy: 1.972036169704208
Energy: 1.9926498260258314
Energy: 1.9743678667452964
Energy: 2.078349856991307
Energy: 1.993127896300321
Energy: 1.9714592367490629
Energy: 2.1444956129379578
Energy: 2.0022307594471322
Energy: 2.0382355994382633
Energy: 2.094480170720555
Energy: 2.023818409203596
Energy: 2.0062596151888883
Energy: 2.1454383346272974
Energy: 2.061235120470236
Energy: 1.9884569933067828
Energy: 2.0236660114608136
Energy: 1.9798853227128996
Energy: 2.1599200767361104
Energy: 1.9750558937005092
Energy: 2.0979095291429437
Energy: 2.1037066417675025
Energy: 2.032679804654771
Energy: 1.9562746809211182
Energy: 1.9992579835859237
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Energy: 1.9922574970716633
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Energy: 2.1602533216434234
Energy: 2.0186304069851766
Energy: 1.9726268944585503
Energy: 2.0799401220667475
Energy: 1.966920108687838
Energy: 1.985062812269025
Energy: 2.0328923514058856
Energy: 2.0828939709445167
Energy: 2.0516349939283685
Energy: 2.0348973337486784
Energy: 1.9523257735021096
Energy: 2.0049762023084723
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Energy: 1.9777835949061684
Energy: 1.9669874799478404
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Energy: 2.1704803115023825
Energy: 1.9392033802394117
Energy: 2.0856871978079985
Energy: 2.1161260146342324
Energy: 1.9748066086426128
Energy: 2.1372053263159705
Energy: 1.9885680713301108
Energy: 1.9598010090252596
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Energy: 2.1266733446543764
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Energy: 1.9772714817123132
Energy: 2.1935968629576013
Energy: 1.9778601749067566
Energy: 1.9490297039006412
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Energy: 1.9478175936721154
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Energy: 2.058904004349033
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Energy: 2.127115021786939
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Energy: 2.0331791856953805
Energy: 2.0241592580331207
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Energy: 2.1554398454874724
Energy: 1.986740722194063
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Energy: 2.087497256946058
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Energy: 2.096012301590049
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Energy: 1.9348576531648114
Energy: 2.092582306834714
Energy: 1.9601020095057067
Energy: 2.1792394032231894
Energy: 2.0437462633421046
Energy: 1.9686266328928248
Energy: 2.0695830188455413
Energy: 1.9706304150066067
Energy: 2.0971283518477324
Energy: 2.0864780471395026
Energy: 2.0616243332011206
Energy: 2.0550402807781496
Energy: 2.092031019998385
Energy: 2.0914014168700144
Energy: 1.955119073384111
Energy: 2.0852976053582357
Energy: 1.9909523441179084
Energy: 2.059127954921781
Energy: 2.008366639434598
Energy: 2.017918857116748
Energy: 2.036908757630926
Energy: 2.0574409823661153
Energy: 2.0737947544310806
Energy: 1.9891328192378244
Energy: 2.0050813163748686
Energy: 1.9644500555282511
Energy: 1.9937206850714937
Energy: 2.0608343386531134
Energy: 2.05893154682505
Energy: 2.088462950056164
Energy: 1.9896610535128147
Energy: 2.0642255297309755
Energy: 1.9660703082749327
Energy: 1.9969537395099584
Energy: 2.0171074215262044
Energy: 1.9656652418402791
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Energy: 2.0155813139226524
Energy: 2.1383656264739836
Energy: 2.0315540635941036
Energy: 2.073897037608899
Energy: 2.0412788245040367
Energy: 1.9504603268636123
Energy: 2.089597581446071
Energy: 1.9637726736432766
Energy: 2.0577556690501844
Energy: 2.0068423095884396
Energy: 2.091604889036864
Energy: 2.034090421948499
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Energy: 1.996642286901474
Energy: 2.0868966174595425
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Energy: 2.0020973652582317
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Energy: 2.125692263849788
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Energy: 2.13562099731394
Energy: 1.9964732046010147
Energy: 2.0088829331954954
Energy: 1.9419813805631132
Energy: 1.9998763879627988
Energy: 2.156590634174935
Energy: 2.0065761336706314
Energy: 2.1030632722962763
Energy: 2.106229810644668
Energy: 2.036180914636444
Energy: 2.1288825031559746
Energy: 1.9993723764115665
Energy: 2.058546082029954
Energy: 1.9891520157429845
Energy: 1.9888236009084508
Energy: 2.0713195928557555
Energy: 2.006974530561002
Energy: 1.9912670684475182
Energy: 2.0774615100816445
Energy: 1.9381304933039054
Energy: 2.0762114886942338
Energy: 1.9999038644057154
Energy: 2.078701454782723
Energy: 2.056795915713998
Energy: 1.9811071118492822
Energy: 1.951342197245165
Energy: 2.008252490993004
Energy: 1.9520689624538594
Energy: 2.0655276401038942
Energy: 1.9982552389205293
Energy: 2.0391801737424964
Energy: 2.1238184377800557
Energy: 1.9815912012517591
Energy: 2.0283386990221635
Energy: 1.936788678698091
Energy: 2.082055323996887
Energy: 2.084288517643301
Energy: 1.9792005917637918
Energy: 1.98490506588696
Energy: 1.986929220191355
Energy: 1.962990523470262
Energy: 2.0467506744151533
Energy: 2.0155094635070534
Energy: 2.1024584785427924
Energy: 2.0530471803499335
Energy: 1.9503157348010938
Energy: 1.9739579284602249
Energy: 2.1579689681823733
Energy: 1.9408472612217227
Energy: 2.0829895887974756
Energy: 1.9749702700672107
Energy: 1.9575480446903044
Energy: 2.035341753861349
Energy: 1.9311998823784136
Energy: 2.084730071723591
Energy: 1.9836082859227082
Energy: 2.1242871402431684
Energy: 2.252130372307099
Energy: 1.966245636890948
Energy: 2.0554398104230116
Energy: 2.021315492479564
Energy: 1.9967607230902458
Energy: 1.995412051159849
Energy: 2.0036156413407955
Energy: 2.036512843723758
Energy: 1.9318945236398517
Energy: 2.0517082907596955
Energy: 1.9877196327917208
Energy: 2.009125845085077
Energy: 1.9418683374712236
Energy: 1.9966767533131229
Energy: 2.2064813568065387
Energy: 2.1044104498529057
Energy: 2.0447189830625083

minimum gb energy = 1.9253645848146432 eV
minimum distance =  2.20657197114418 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.1466167053466645
Energy: 2.036826446693042
Energy: 2.0638583342592094
Energy: 2.065292544278701
Energy: 1.9918963944772135
Energy: 2.052347256770775
Energy: 2.0245381947397787
Energy: 1.9760173055875778
Energy: 2.0316096485228385
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Energy: 2.199008858888864
Energy: 1.9458271261213063
Energy: 2.0108978012687504
Energy: 2.0873571375361273
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Energy: 2.0918530101729718
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Energy: 2.0215437539740284
Energy: 2.034649679409325
Energy: 1.996536391056924
Energy: 2.0196431899024514
Energy: 2.0924323957680637
Energy: 2.0849973324906697
Energy: 2.0259095049561555
Energy: 1.9778816526244467
Energy: 2.0142189076470225
Energy: 1.9454442919613277
Energy: 2.186319281991894
Energy: 2.1472796675880295
Energy: 2.079746875877823
Energy: 2.0924216499724273
Energy: 2.014596820464103
Energy: 2.009537244164635
Energy: 1.9850032950526082
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Energy: 2.2855120632773414
Energy: 2.0154418564834473
Energy: 2.051488576543563
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Energy: 1.9872611581444266
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Energy: 2.022086027482128
Energy: 2.050955159467189
Energy: 1.9728948172513252
Energy: 2.014739276859119
Energy: 2.1607514195015565
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Energy: 1.980720276998513
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Energy: 1.981343573886806
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Energy: 2.0325903788879764
Energy: 2.2553017404116398
Energy: 2.074658031599786
Energy: 2.0470242081243875
Energy: 2.057468753272031
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Energy: 2.010953128247162
Energy: 2.009835372063808
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Energy: 2.0483899467236206
Energy: 2.0605543735546785
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Energy: 1.9952509613487186
Energy: 2.0625725317121573
Energy: 1.9668489579460242
Energy: 2.0967716178747504
Energy: 2.1671870453068114
Energy: 2.0642164348136185
Energy: 2.0141616314101753
Energy: 1.9864966520454355
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Energy: 1.964767310074668
Energy: 2.0536274107502783
Energy: 2.1055173712636157
Energy: 2.102359933195762
Energy: 2.0379994183780656
Energy: 2.0196279168534557
Energy: 2.040928151876434
Energy: 1.989214254792918
Energy: 2.073775005836231
Energy: 2.1008247679499146
Energy: 2.0424936645438936
Energy: 2.169576185987877
Energy: 2.0257219839871934
Energy: 2.0587956182570606
Energy: 2.0196565106654023
Energy: 2.033401150343208
Energy: 2.074978962644571
Energy: 2.0465422510546167
Energy: 1.9928876740980408
Energy: 2.0185224086741362
Energy: 2.078576310536305
Energy: 2.1197803946421696
Energy: 2.0991657571962845
Energy: 2.019530847561128
Energy: 1.9883652001763303
Energy: 1.9389271472321292
Energy: 2.0441692004263596
Energy: 2.3150454177523176
Energy: 2.1397182443212777
Energy: 2.0636226618745974
Energy: 1.9957401351469022
Energy: 1.9898492070014304
Energy: 1.9367578050808911
Energy: 2.0189290653301306
Energy: 2.0695882040564046
Energy: 2.0547244421592574
Energy: 2.126567077168629
Energy: 2.012465815863793
Energy: 2.0076508446821495
Energy: 1.9390417372810416
Energy: 2.0192543529012736
Energy: 2.1219864928103687
Energy: 2.1134252371965316
Energy: 2.1076187506246513
Energy: 2.0373628239678876
Energy: 2.0110625366681942
Energy: 1.938336161470655
Energy: 2.044392996305462
Energy: 2.1060155598141876
Energy: 1.9798187524335644
Energy: 2.0152508953459516
Energy: 2.14081688356308
Energy: 2.0432243160602446
Energy: 1.9907476346462323
Energy: 2.011506123313017
Energy: 2.0546539379896975
Energy: 2.0382824450858843
Energy: 2.064188405241557
Energy: 2.09723152978734
Energy: 2.044955599126762
Energy: 2.0684941721423717
Energy: 1.9938753726752632
Energy: 1.9898749653600425
Energy: 1.9646814191194852
Energy: 2.051754431953699
Energy: 2.1180139401227924
Energy: 2.1287057508479807
Energy: 2.072026263876354
Energy: 1.9743994536120237
Energy: 2.0386569325731716
Energy: 1.9668321367344244
Energy: 2.0948722529858044
Energy: 2.150449491928072
Energy: 2.0026031800232262
Energy: 2.0571849788961463
Energy: 2.0006620876809778
Energy: 2.0388692773699617
Energy: 1.997533079843107
Energy: 2.0432074720790614
Energy: 2.0923024253956073
Energy: 2.0135144488435937
Energy: 2.1331295028740263
Energy: 2.0268057387336746
Energy: 2.0562342482063336
Energy: 2.02098142942552
Energy: 2.0508506978953265
Energy: 1.9921044293820849
Energy: 2.0388006196752753
Energy: 2.011278813182097
Energy: 1.988869524892269
Energy: 2.093344258506119
Energy: 1.9620988887057227
Energy: 2.043190379679277
Energy: 1.9933054588589254
Energy: 2.0393438180054844
Energy: 1.9945774558143383
Energy: 2.0176350592217434
Energy: 2.419638532395735
Energy: 2.1416115076585487
Energy: 2.0840140396069025
Energy: 2.0147226796543256
Energy: 2.0379224676716294
Energy: 1.9373169568607018
Energy: 2.188768665703718
Energy: 2.094363221385783
Energy: 1.937058888208754
Energy: 2.186911573083165
Energy: 2.0136179463057142
Energy: 2.036613913358614
Energy: 1.9373862873104228
Energy: 2.0338665381314365
Energy: 2.0980669300365786
Energy: 2.0353246163531766
Energy: 2.0925592190908318
Energy: 1.9930589892358044
Energy: 2.038204561060877
Energy: 1.9338165155520275
Energy: 2.0931050779371376
Energy: 2.1634639999375733
Energy: 1.9804275087078878
Energy: 2.0529843867738764
Energy: 2.0933617928988055
Energy: 1.9915863871705726
Energy: 2.031835320318889
Energy: 2.0092818721567123
Energy: 2.082759190920247
Energy: 1.9868859729981518
Energy: 2.0145624497994272
Energy: 2.0500155979267904
Energy: 2.016392159243201
Energy: 2.0829829283099657
Energy: 1.9845329599973776
Energy: 2.0696179308948843
Energy: 1.9879919907484975
Energy: 2.0323041927885517
Energy: 2.031650590021778
Energy: 2.1952678704904423
Energy: 1.9449195124636731
Energy: 1.9715673511446554
Energy: 2.1116830417086527

minimum gb energy = 1.9253359918839652 eV
minimum distance =  2.21915085966087 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.128306676224918
Energy: 2.092956329625252
Energy: 2.089775879095477
Energy: 2.07629547814569
Energy: 2.0893505862526975
Energy: 2.1273759399466825
Energy: 2.1052313109360044
Energy: 2.024585200880673
Energy: 2.0332674910876567
Energy: 2.080443683403621
Energy: 2.082485737770375
Energy: 2.201300169816977
Energy: 2.059003815161618
Energy: 2.0156220676843897
Energy: 2.0891437122026515
Energy: 2.0873183795835306
Energy: 2.1131549409642623
Energy: 2.0916940613555797
Energy: 2.0440024818731657
Energy: 2.0634760948370685
Energy: 2.0509887161598597
Energy: 2.1448208623569984
Energy: 2.194383915419624
Energy: 2.132785597666856
Energy: 2.2789005268218654
Energy: 2.106639082113614
Energy: 2.1196248055567937
Energy: 2.0850600287294165
Energy: 2.0409721419587497
Energy: 2.100753922134209
Energy: 2.0516099412773943
Energy: 2.0525216635758423
Energy: 2.0510735933952935
Energy: 2.040532170019195
Energy: 2.036157213275081
Energy: 2.0320519107148303
Energy: 2.0582881513245743
Energy: 2.011507151353047
Energy: 2.001700908306765
Energy: 2.002776004184753
Energy: 2.032670899986087
Energy: 2.057221467770983
Energy: 2.1337442660706656
Energy: 2.0889238398162684
Energy: 2.089460782985602
Energy: 2.076230350064313
Energy: 2.0117172252117177
Energy: 2.1336719622120244
Energy: 2.1044980361317274
Energy: 2.078945265517306
Energy: 2.0322491019517623
Energy: 2.057894964777348
Energy: 2.037244449189668
Energy: 2.1462042210896835
Energy: 2.062672454096713
Energy: 2.12480031960458
Energy: 2.1331424477434693
Energy: 2.141374502871467
Energy: 2.0444624055511236
Energy: 2.0790833490297556
Energy: 2.0436720317143657
Energy: 2.063170334754279
Energy: 2.1407769884571786
Energy: 2.144250426132707
Energy: 2.1845089646403735
Energy: 2.1310816479770076
Energy: 2.165643030015772
Energy: 2.045176248545555
Energy: 2.120217917339817
Energy: 2.0331530136792777
Energy: 2.075972491950427
Energy: 2.0737428376290947
Energy: 2.050861400650234
Energy: 2.0432400526809857
Energy: 2.0524666654014743
Energy: 2.0406227255015916
Energy: 2.0892217946160825
Energy: 2.0343445576697112
Energy: 2.0581403633829045
Energy: 2.0113375494427865
Energy: 2.0020093287916283
Energy: 2.03820444192479
Energy: 2.032753293650254
Energy: 2.0575333564004747
Energy: 2.1330425553021684
Energy: 2.088811831514951
Energy: 2.230004751406975
Energy: 2.0757348200556867
Energy: 2.050204633703793
Energy: 2.133135733717754
Energy: 2.0999547484200614
Energy: 2.079136509437776
Energy: 2.0316753882904806
Energy: 2.0558437610426097
Energy: 2.036223399258814
Energy: 2.2213719848016606
Energy: 2.0674060764369755
Energy: 2.1845939785654425
Energy: 2.134430136738168
Energy: 2.144643139569768
Energy: 2.084342845953232
Energy: 2.070070457436706
Energy: 2.0442037808168787
Energy: 2.0634586236239136
Energy: 2.1427238211965243
Energy: 2.1444177232455965
Energy: 2.1357609713221075
Energy: 2.132029071568918
Energy: 2.0464885915535316
Energy: 2.032900476934073
Energy: 2.0362877574531124
Energy: 2.031951209517707
Energy: 2.079542748160979
Energy: 2.0725226900984097
Energy: 2.049324651079302
Energy: 2.0424403164900875
Energy: 2.050806216189385
Energy: 2.0408214645488454
Energy: 2.0873335676148455
Energy: 2.029681477350556
Energy: 2.057656509114435
Energy: 2.0708461647353418
Energy: 2.005291820873267
Energy: 2.038726231119618
Energy: 2.0051745424160297
Energy: 2.0580817073450848
Energy: 2.1333428173627227
Energy: 2.149743468471239
Energy: 2.0896716095582435
Energy: 2.0818374996065954
Energy: 2.0530959452036868
Energy: 2.1333536980931966
Energy: 2.10812517386742
Energy: 2.0794403002159356
Energy: 2.0839858935558064
Energy: 2.0592421569613255
Energy: 2.0354343098279086
Energy: 2.2163002633969375
Energy: 2.1272461598210484
Energy: 2.1941811997227814
Energy: 2.135562416390904
Energy: 2.071511713130564
Energy: 2.0845386993764783
Energy: 2.073258460901453
Energy: 2.0191866572588846
Energy: 2.094902870949105
Energy: 2.1427004886828303
Energy: 2.144840922557459
Energy: 2.0572851596249606
Energy: 2.0326463513394484
Energy: 2.004662363377058
Energy: 2.048732051576799
Energy: 2.0363417421161905
Energy: 2.072768244392655
Energy: 2.0458599044718957
Energy: 2.0795679167109165
Energy: 2.0458814405285546
Energy: 2.1535453707233376
Energy: 2.0468164354142777
Energy: 2.04554623413422
Energy: 2.070140748738391
Energy: 2.1217988294444665
Energy: 2.1364753141895574
Energy: 2.0331919167689794
Energy: 2.004811518196467
Energy: 2.049152517229792
Energy: 2.00599851647162
Energy: 2.0580922733914666
Energy: 2.1324244662424943
Energy: 2.074312126724887
Energy: 2.2315753430181124
Energy: 2.0822689284275206
Energy: 2.0491536039844833
Energy: 2.1334631892291798
Energy: 2.1483177562728404
Energy: 2.0557060801169964
Energy: 2.0915688444454323
Energy: 2.0586681100663604
Energy: 2.0367475224225395
Energy: 2.220776397472365
Energy: 2.037924150403791
Energy: 2.19460340022154
Energy: 2.128151811748536
Energy: 2.071228854867038
Energy: 2.0857418823386698
Energy: 2.070806844703683
Energy: 2.039424085965302
Energy: 2.0665295882896957
Energy: 2.14293570654711
Energy: 2.093870172489757
Energy: 2.058282090244165
Energy: 2.079675652653617
Energy: 2.0036061846093975
Energy: 2.1478766422893534
Energy: 2.0184298843382984
Energy: 2.0727651243466307
Energy: 2.0459745032790173
Energy: 2.076562951572773
Energy: 2.044735093439564
Energy: 2.042274938742992
Energy: 2.0459557671684796
Energy: 2.0456685557959933
Energy: 2.069693583839751
Energy: 2.1240341109086636
Energy: 2.07585145138046
Energy: 2.133536757373689
Energy: 2.04500208224184
Energy: 2.0521975387686044
Energy: 2.127253537670441
Energy: 2.0803080131597347
Energy: 2.1314580082233685
Energy: 2.0754293729109574
Energy: 2.0392722057056583
Energy: 2.082808571450898
Energy: 2.0423493714637444
Energy: 2.0501818688461837
Energy: 2.128993972038366
Energy: 2.0552340791920214
Energy: 2.0887648394989498
Energy: 2.057597753777641
Energy: 2.1436232475843715
Energy: 2.2223971276688737
Energy: 2.0381029384148928
Energy: 2.197166787721744
Energy: 2.156060542310718
Energy: 2.0702329331810563
Energy: 2.045358099779663
Energy: 2.0695516521567354
Energy: 2.0338701186947925
Energy: 2.0623605914711702
Energy: 2.089610843993139
Energy: 2.0938683862764713
Energy: 2.0580858922115772
Energy: 2.072632881531574
Energy: 2.002585565319353
Energy: 2.0741916451374944
Energy: 2.0946664557993224
Energy: 2.074933200305445
Energy: 2.0862018531163664
Energy: 2.089030247721837
Energy: 2.043854124178483
Energy: 2.0412016827942208
Energy: 2.046173332169494
Energy: 2.0891235103937635
Energy: 2.0917353215496672
Energy: 2.1146657075951114
Energy: 2.091377574608526
Energy: 2.134382864987129
Energy: 2.045299252957707
Energy: 2.0514347585210024
Energy: 2.125529974066645
Energy: 2.0892067132680903

minimum gb energy = 2.001700908306765 eV
minimum distance =  2.21837582812793 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.9387429717772893
Energy: 1.9877140292604967
Energy: 2.8200596549576167
Energy: 2.3918211597047185
Energy: 2.0226420583822584
Energy: 2.158187096834497
Energy: 1.9138853965078582
Energy: 1.9120371316379552
Energy: 2.078016116679334
Energy: 1.9619278596506842
Energy: 2.056570303766776
Energy: 2.0750158403684695
Energy: 2.0370063974463983
Energy: 2.0333763161685328
Energy: 2.0356178515435968
Energy: 1.8658574374154642
Energy: 1.959948622957929
Energy: 2.212959696681892
Energy: 2.0660526138391293
Energy: 2.0350353462400492
Energy: 2.0341989264184335
Energy: 2.0359682516111377
Energy: 1.865887307072853
Energy: 1.9664300691648193
Energy: 1.86338319365408
Energy: 2.171011555421264
Energy: 1.9645791002162893
Energy: 2.13482917889924
Energy: 2.060740582419243
Energy: 2.0717097906777604
Energy: 2.219019222609119
Energy: 1.9637359309682192
Energy: 2.0818392945404884
Energy: 1.9672006342201591
Energy: 2.035062049270785
Energy: 1.912476121163627
Energy: 2.0690832580855822
Energy: 1.9621356201871047
Energy: 1.8649044935818084
Energy: 2.0596572340239656
Energy: 2.0342539041027985
Energy: 2.085340737529192
Energy: 2.03770538897265
Energy: 2.0195005385399534
Energy: 1.9604538561376028
Energy: 2.0736324674512145
Energy: 1.9152710550492373
Energy: 1.915379436447629
Energy: 2.0311213083447335
Energy: 1.9162556483635635
Energy: 2.0682003743901323
Energy: 2.176314707525119
Energy: 1.8657644070277943
Energy: 2.1749882330895693
Energy: 1.9628648139606422
Energy: 2.082751503682914
Energy: 1.9139457398847752
Energy: 2.069820946951739
Energy: 2.1734264643078247
Energy: 1.863493121491504
Energy: 2.0680113202468755
Energy: 1.9830394799530269
Energy: 2.0830478702971655
Energy: 2.037014916133741
Energy: 1.8654644342169748
Energy: 1.9620161235656481
Energy: 2.0587098831351964
Energy: 2.0613055966947877
Energy: 2.033148021674387
Energy: 2.0344975450418326
Energy: 2.0347359212625307
Energy: 2.002653095584701
Energy: 1.9719513272111735
Energy: 1.8655958807384792
Energy: 2.079449358592289
Energy: 2.0413083904373814
Energy: 2.1376913859933016
Energy: 2.0798763167911254
Energy: 1.9237637745093916
Energy: 2.004899206862815
Energy: 1.8641991985878228
Energy: 2.0569227688716447
Energy: 1.968017683272423
Energy: 2.041823195696281
Energy: 1.9147815016561336
Energy: 1.9273133976667844
Energy: 2.177266514359857
Energy: 1.9765668667478566
Energy: 2.076645899351714
Energy: 1.8884422981710347
Energy: 2.0345092148836894
Energy: 2.036007380865271
Energy: 1.8655318453397542
Energy: 1.9599747609871359
Energy: 2.10226469831099
Energy: 1.913236243394743
Energy: 1.9155085018709663
Energy: 2.0322141312101567
Energy: 1.9118195938612192
Energy: 2.0057804809595394
Energy: 1.9592824521088807
Energy: 2.0767974541219694
Energy: 1.91323939013504
Energy: 1.912860678321823
Energy: 2.0326544203647696
Energy: 1.9130870973276177
Energy: 2.134486256278373
Energy: 2.0730250617557457
Energy: 1.9700996123459673
Energy: 2.035704359275481
Energy: 2.1587801422786708
Energy: 1.9131601623112666
Energy: 2.042609950870756
Energy: 2.0777620500982565
Energy: 1.9599353362172134
Energy: 2.056541146694704
Energy: 2.070975215905464
Energy: 2.0362159962283535
Energy: 2.033025698184034
Energy: 2.035991880866489
Energy: 1.8692068019585384
Energy: 1.960213091408165
Energy: 2.2133778113923093
Energy: 2.063904541131301
Energy: 2.0351878054742403
Energy: 2.128059857518522
Energy: 2.035969716746913
Energy: 1.8659898245945792
Energy: 1.9673967727798047
Energy: 1.8632790916995954
Energy: 2.174536452387874
Energy: 1.9648128395870603
Energy: 2.133243449694865
Energy: 2.0760363975474405
Energy: 2.0716674442638197
Energy: 2.219213790854608
Energy: 1.9642875053920892
Energy: 2.1859770259295264
Energy: 1.9612901957477151
Energy: 2.0351344413258188
Energy: 1.9123106985510965
Energy: 2.0691897854000887
Energy: 1.961750776025095
Energy: 1.8648293827383022
Energy: 2.0596199514797915
Energy: 1.912983843476093
Energy: 2.086798621593289
Energy: 2.0371985233528527
Energy: 2.0092088519058144
Energy: 1.9607532999199155
Energy: 2.0725566742464903
Energy: 1.9154435799228364
Energy: 1.9153834280180702
Energy: 2.03125580784054
Energy: 1.9156871345843633
Energy: 2.06865317106696
Energy: 2.176584296007869
Energy: 1.8667042550499744
Energy: 2.174460672627216
Energy: 1.9615067983978627
Energy: 2.0845147062489207
Energy: 1.9127377383012478
Energy: 2.0696597746335894
Energy: 2.1722218457455402
Energy: 1.863609584645997
Energy: 2.068371681480956
Energy: 1.9613495867439734
Energy: 2.0836534396146322
Energy: 2.0360684600375927
Energy: 2.005845190239701
Energy: 1.9615185223145397
Energy: 2.059579393046371
Energy: 2.0613588707798742
Energy: 2.033238440510357
Energy: 2.034479501289719
Energy: 2.03665514726507
Energy: 2.0031646707918016
Energy: 1.9687738282457155
Energy: 1.8669563145996917
Energy: 2.077877699663456
Energy: 1.9606366282454037
Energy: 2.1362148350419408
Energy: 2.079242405082634
Energy: 1.9248283198413398
Energy: 2.004411427945206
Energy: 1.8649625830992909
Energy: 2.05659572208276
Energy: 1.9628855085068053
Energy: 2.041640164534808
Energy: 1.9154588656371965
Energy: 1.9264530506661537
Energy: 2.1777334342465062
Energy: 1.9778522925704969
Energy: 2.0754895990145514
Energy: 1.985181929589567
Energy: 2.034552526344148
Energy: 2.034914315889992
Energy: 1.865562658449981
Energy: 1.960077648763885
Energy: 2.1018212794290685
Energy: 1.9135247506472157
Energy: 1.9152324382528774
Energy: 2.032060662904553
Energy: 1.9118759281874917
Energy: 2.0062450236389444
Energy: 1.9594464810740233
Energy: 1.8631598726286613
Energy: 1.9133098234778743
Energy: 1.9130280669298796
Energy: 2.033056189360391

minimum gb energy = 1.8631598726286613 eV
minimum distance =  2.25600907498431 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.4667255749048307
Energy: 2.2893908461000274
Energy: 1.9496715149418569
Energy: 2.4673297011143487
Energy: 1.9914553196843752
Energy: 1.9920907820565805
Energy: 2.3555440574340327
Energy: 2.067582310122129
Energy: 2.0554877165352954
Energy: 2.177509456762801
Energy: 1.9266030868297508
Energy: 1.8514522892600644
Energy: 2.1604409832060507
Energy: 1.9896835497859486
Energy: 2.1349142030322352
Energy: 1.9765929794772754
Energy: 2.000951122192956
Energy: 1.9191425871164802
Energy: 1.9697395263762372
Energy: 1.9808368395855713
Energy: 1.9980937860785348
Energy: 2.3477189411551875
Energy: 1.9733263588499121
Energy: 2.0491513819356126
Energy: 2.0508187831855516
Energy: 2.0567313333059216
Energy: 1.9909857495469994
Energy: 2.171293651040264
Energy: 1.9484749276787354
Energy: 1.9338230043694038
Energy: 2.044432526998042
Energy: 1.8974905461055755
Energy: 1.8095358380749191
Energy: 2.003496181020412
Energy: 1.9621738323219233
Energy: 1.8987385757745985
Energy: 1.8500523175727464
Energy: 2.097145819343691
Energy: 1.9714556841784319
Energy: 1.8021402347745967
Energy: 1.9801184921789927
Energy: 1.954664312870855
Energy: 2.167322070036731
Energy: 1.8897417495896605
Energy: 1.9949430759711109
Energy: 1.99640156424558
Energy: 1.8978773679930936
Energy: 1.898129955349593
Energy: 1.9523912837885227
Energy: 1.9921279810272698
Energy: 1.900535950356922
Energy: 2.0055698316670734
Energy: 2.0468568050535993
Energy: 1.9938475404898517
Energy: 1.950329414919196
Energy: 1.9622391487212822
Energy: 2.0288172487680645
Energy: 1.9203263168980704
Energy: 2.091101647965943
Energy: 2.0824785621911164
Energy: 1.9675598202292597
Energy: 2.1883173037119534
Energy: 1.9833827949257368
Energy: 2.4002961077652962
Energy: 2.1556578574186247
Energy: 1.880746207824545
Energy: 2.0103490336297067
Energy: 1.9913374608292032
Energy: 1.9952379619895064
Energy: 1.9480838936976554
Energy: 2.075688442459203
Energy: 1.9965230718067006
Energy: 2.0228767338392557
Energy: 2.0759250372507334
Energy: 1.897607499024444
Energy: 1.898024914885188
Energy: 2.004981217102332
Energy: 1.9943905583123582
Energy: 2.0521809292461954
Energy: 2.2133930744553636
Energy: 2.0707593066177195
Energy: 2.108414109759858
Energy: 2.287731169991767
Energy: 1.9820723004318836
Energy: 2.2872055186432783
Energy: 1.9714765364450832
Energy: 1.9511142459784108
Energy: 2.2151082910273745
Energy: 1.9210525508529157
Energy: 1.990630514259495
Energy: 1.8980733994847911
Energy: 1.8968388149044504
Energy: 1.9750746860804684
Energy: 2.0329894827664834
Energy: 2.1053084254079817
Energy: 2.049093890365164
Energy: 1.9953918423863841
Energy: 1.989877460727419
Energy: 1.9924706048759335
Energy: 2.0542415240555156
Energy: 2.0181319493779712
Energy: 1.9186381703887614
Energy: 2.0712042677089926
Energy: 2.163193836139895
Energy: 1.9497038192101959
Energy: 2.03601969421486
Energy: 1.83515103293159
Energy: 1.9960599307343732
Energy: 1.9894681566326085
Energy: 1.9882046126985682
Energy: 1.9830938471157014
Energy: 1.9910362377241002
Energy: 1.9487544045398393
Energy: 2.0481174572798264
Energy: 2.004464152884774
Energy: 1.8966698145106748
Energy: 1.7493123899666987
Energy: 1.964310130011087
Energy: 2.0848071843517446
Energy: 1.9005976113784344
Energy: 1.8354798048929737
Energy: 2.025441368438904
Energy: 1.890202425460983
Energy: 1.9779467546734881
Energy: 1.956382856451516
Energy: 1.938497832774637
Energy: 2.2868149771271824
Energy: 1.8034916590270218
Energy: 2.0482852308263992
Energy: 1.8859879688614682
Energy: 1.8985257919627379
Energy: 1.8980424098293243
Energy: 1.9571808580815386
Energy: 1.9925197723418484
Energy: 1.8970562107715165
Energy: 1.9831765557127858
Energy: 2.045664815943399
Energy: 1.9496604154438872
Energy: 1.9484649654037118
Energy: 1.9877807586083827
Energy: 1.9913317912818151
Energy: 1.8354121581019027
Energy: 2.091981387459184
Energy: 2.056205934598223
Energy: 1.9759250202818985
Energy: 2.17178440740844
Energy: 2.022121090028206
Energy: 2.144923170046354
Energy: 1.9148065763468705
Energy: 2.047936781258714
Energy: 2.036017218731465
Energy: 1.8442374949553983
Energy: 1.9640951240688655
Energy: 2.0597326037273795
Energy: 2.0444038407652254
Energy: 1.9013558520164333
Energy: 1.9593857337033835
Energy: 2.004781930480385
Energy: 2.0099942098148453
Energy: 1.9932251033946247
Energy: 1.9498376079784423
Energy: 1.9920127656922675
Energy: 2.0541941026417296
Energy: 1.869182916463167
Energy: 1.993642632888245
Energy: 2.2880296087717613
Energy: 2.2882273219379097
Energy: 1.9785285983403924
Energy: 1.896797850381287
Energy: 2.0534321805742097
Energy: 1.942126492437668
Energy: 2.0740205544168258
Energy: 2.0935040354075762
Energy: 1.9931589378561265
Energy: 2.004816369419138

minimum gb energy = 1.7493123899666987 eV
minimum distance =  2.23367411236694 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 2.3950938691438544
Energy: 2.120786001151118
Energy: 2.1720702291938574
Energy: 1.8487535839416294
Energy: 1.9451685126721256
Energy: 1.9624626079452983
Energy: 2.1516657761048656
Energy: 2.062340048161689
Energy: 2.0459268263071064
Energy: 1.8664057041495377
Energy: 1.9339884831347771
Energy: 1.828334109982885
Energy: 1.8985349114779082
Energy: 1.8503145536331804
Energy: 2.1796985450900723
Energy: 2.0977288098368625
Energy: 2.101351500428989
Energy: 1.9067462665213093
Energy: 1.8245748536767952
Energy: 2.0184574017661303
Energy: 1.9129776016861708
Energy: 1.9430312676043404
Energy: 2.0176266069241304
Energy: 1.851026716529995
Energy: 1.8640665265852552
Energy: 1.832109386323061
Energy: 1.8464522975296478
Energy: 2.067480925232136
Energy: 1.8216688365091234
Energy: 1.9037947521169134
Energy: 1.8560929937351778
Energy: 1.9133027651931946
Energy: 1.938380971401762
Energy: 1.8736059057794694
Energy: 2.1663808751916913
Energy: 2.0630972998883035
Energy: 2.007637994147421
Energy: 2.0075654323618193
Energy: 1.8382000623289534
Energy: 1.9568949543532559
Energy: 2.085009943849467
Energy: 1.9165634335201491
Energy: 2.04856268338468
Energy: 1.902392235875213
Energy: 1.967462452338308
Energy: 1.9236161372909895
Energy: 1.8244339102817946
Energy: 1.9107640543957314
Energy: 2.0587534809305104
Energy: 1.8633534122187225
Energy: 1.912625678184877
Energy: 1.8609582874136565
Energy: 1.8194591033796301
Energy: 2.0508196035304658
Energy: 1.8485465365312965
Energy: 1.7931135210352682
Energy: 1.851990103809376
Energy: 1.939201337178656
Energy: 2.1299520249289348
Energy: 1.8449338452977218
Energy: 1.879513300142995
Energy: 2.092505233553058
Energy: 1.919449933714098
Energy: 2.0874692142661484
Energy: 1.9675702692133712
Energy: 2.0615125247086654
Energy: 1.856255279927469
Energy: 1.9254910914969696
Energy: 1.9355969239582838
Energy: 1.8567394748970358
Energy: 2.0927905042379025
Energy: 1.8541358239600672
Energy: 1.9990642546294564
Energy: 1.8548248653259125
Energy: 1.9576661296994087
Energy: 2.004038528994867
Energy: 1.8447347361665813
Energy: 1.9791998320816313
Energy: 1.8691872652012438
Energy: 2.233190445245308
Energy: 2.1024708492857416
Energy: 1.9625815693738702
Energy: 2.360696339834816
Energy: 1.8757976486797519
Energy: 1.9604807344169222
Energy: 1.892503440324876
Energy: 1.9843007117026474
Energy: 1.8736933540910161
Energy: 1.9037349490046616
Energy: 1.8336738597949744
Energy: 1.85767040449933
Energy: 2.1017498619576633
Energy: 1.919892523122608
Energy: 1.964399574709244
Energy: 1.9449436063708703
Energy: 1.876936433035205
Energy: 1.941890982325634
Energy: 1.8236896956065456
Energy: 1.9473032468687912
Energy: 1.8620462544224958
Energy: 2.136383540430588
Energy: 1.852728920302184
Energy: 1.8148194643760363
Energy: 1.9895651496715088
Energy: 1.8463013514415736
Energy: 1.8251806947412563
Energy: 1.830206256047955
Energy: 1.847735399807533
Energy: 1.898795351566496
Energy: 1.8689456785864966
Energy: 1.8716279301649097
Energy: 2.0585314352548294
Energy: 1.8469588985530132
Energy: 2.059373433423114
Energy: 2.0081613176819206
Energy: 1.9015919366689624
Energy: 1.833552699897142
Energy: 1.831754659500614
Energy: 2.1436007050043173
Energy: 2.057202195160793
Energy: 1.9517717372962349
Energy: 2.005590847236998
Energy: 1.8414905812296385
Energy: 2.056520332722829
Energy: 1.9612526719534407
Energy: 1.8963776478180427
Energy: 1.949117018592752
Energy: 1.937963852679729
Energy: 2.056085649979362
Energy: 1.8249137040105863
Energy: 1.9198752260919125
Energy: 1.8705313761339653
Energy: 1.9981530876679336
Energy: 1.9644817391992118
Energy: 1.8197978451167234
Energy: 1.999199712061203
Energy: 1.8554403332613512
Energy: 2.130848548750522
Energy: 1.9758247909239643
Energy: 1.8420043739149214
Energy: 2.176913004473917
Energy: 1.8786582256727884
Energy: 1.8774501753039337
Energy: 1.8371634998021675
Energy: 1.8275714604299005
Energy: 1.8185472180659128
Energy: 1.8477135154725202
Energy: 2.117400064725523
Energy: 1.8784950327278642
Energy: 2.041815138781446
Energy: 1.915067545213711
Energy: 1.8288262243077043
Energy: 1.8216421139409222
Energy: 1.8488489926833507
Energy: 1.8135087393035882
Energy: 1.9344763716144728
Energy: 2.03536663472779
Energy: 2.1316477609127418
Energy: 2.091133438969726
Energy: 1.9608977903335705
Energy: 1.9968406472790365
Energy: 1.943114092387955
Energy: 2.046442468125568
Energy: 1.850299025102051
Energy: 2.0382376600337175
Energy: 1.8280694207874404
Energy: 1.8392871290664385
Energy: 1.8499652307398458
Energy: 1.8994826948981975
Energy: 2.098587012684322
Energy: 2.1411906634731905
Energy: 1.8378810184628718
Energy: 1.8582883682221267
Energy: 1.960286063166396
Energy: 1.9123460299599704
Energy: 1.8550246390480432
Energy: 1.8583759839909841
Energy: 1.8493229239334332
Energy: 1.9193330335150853
Energy: 1.8715254462041147
Energy: 1.8563490935279174
Energy: 2.052435075668522
Energy: 1.8564624802377545
Energy: 1.859371966793843
Energy: 1.8548255382827614
Energy: 1.912935326302562
Energy: 1.8584107585035483
Energy: 1.8812018186541841
Energy: 2.1664872973871594
Energy: 2.0665926899976066
Energy: 2.0153846961389186
Energy: 2.1469526600971274
Energy: 1.840903580613054
Energy: 1.9565924125069125
Energy: 1.9346921996635658
Energy: 1.8246420479318357
Energy: 2.004145480523616
Energy: 1.9040978699321467
Energy: 1.965413258096636
Energy: 1.8991165341520602
Energy: 1.8256016446392875
Energy: 1.9123595767159007
Energy: 2.0871512951474243
Energy: 1.8625828330655705
Energy: 1.9128552524415543
Energy: 1.8872888204956355
Energy: 1.9482325673290575
Energy: 1.9533298980364626
Energy: 1.8341400010966784
Energy: 2.0200531668423554
Energy: 1.8523025315870751
Energy: 2.0003982277187506
Energy: 2.130571367013071
Energy: 2.0627770489379924
Energy: 1.920343159457586
Energy: 2.2351557466474175
Energy: 1.9166802475322904
Energy: 1.9797803093954052
Energy: 1.9778816475926406
Energy: 2.0774648229229613
Energy: 1.856550368568043
Energy: 1.9242512635504745
Energy: 2.0400787752413576
Energy: 1.7799192605464362
Energy: 2.089972231068369
Energy: 1.8535888510904408
Energy: 1.9939616094024954
Energy: 1.9926999145736863
Energy: 1.9594164009445445
Energy: 2.005419320067278
Energy: 1.8459614097354107
Energy: 1.9787970533987347
Energy: 1.869182763033938
Energy: 2.232582319660305
Energy: 1.9227379148087091
Energy: 1.968687553654094
Energy: 2.1123105981729053
Energy: 1.9988303935063096
Energy: 1.9646650909554728
Energy: 1.888147535522357
Energy: 1.887032998439725
Energy: 1.8746349651928405
Energy: 1.994975317896917
Energy: 1.918208912286994
Energy: 1.8565285738412156
Energy: 2.237734115257099
Energy: 1.9394671233284582
Energy: 1.963053576109287
Energy: 1.9080045778937804
Energy: 1.875221369836843
Energy: 1.964821891019764
Energy: 1.98870571074541
Energy: 1.941593739236764
Energy: 1.9658153592941179
Energy: 2.139174992022011
Energy: 1.8489021785126236
Energy: 1.8348660534968098
Energy: 2.1270318057407525
Energy: 1.8351247053616064
Energy: 1.8205017974243316
Energy: 1.8928934154721093
Energy: 1.8254397149041919
Energy: 1.8980559837765756
Energy: 1.869405825810272
Energy: 1.8816358202374186
Energy: 2.061132130928481
Energy: 1.865733218571509
Energy: 2.0404913299843974
Energy: 2.0076700853980594
Energy: 1.8711560024187694
Energy: 1.8362767069670756
Energy: 1.9672316137369903
Energy: 2.1511694530108647
Energy: 1.9638664056323176
Energy: 2.0869163911619673
Energy: 2.134591787271157
Energy: 1.8416124483659022
Energy: 1.975671769359929
Energy: 1.960879247147628
Energy: 1.946562375621381
Energy: 2.0799596921572974
Energy: 2.030219839612522
Energy: 1.9512942645468112
Energy: 2.023944594529818
Energy: 1.9190959410746742
Energy: 1.8642120345620712
Energy: 1.985080843213217
Energy: 1.963052368778797
Energy: 1.996340516193676
Energy: 2.0329118511792674
Energy: 2.102384541158684
Energy: 1.9964544336395331
Energy: 1.8309689109871816
Energy: 1.8468393636250924
Energy: 2.036945277853043
Energy: 2.0436433204350717
Energy: 1.8739687325051395
Energy: 1.9959058451185483
Energy: 1.8291697055235443
Energy: 1.8217465336133776
Energy: 1.8494585650321629
Energy: 2.0310395434311177
Energy: 1.880666620736783
Energy: 1.8605412020059655
Energy: 1.8372398569913029
Energy: 1.8271853747941638
Energy: 1.818476270192071
Energy: 1.8466242345459833
Energy: 1.8139849518482116
Energy: 1.8590216801191168
Energy: 2.034666971661175
Energy: 1.8137695794444748
Energy: 2.0028948289995347
Energy: 1.8442503952839973
Energy: 1.8288667697168417

minimum gb energy = 1.7799192605464362 eV
minimum distance =  2.21899843926851 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.9458186753052065
Energy: 1.6526972533501183
Energy: 1.6535635883113722
Energy: 1.6532894186623435
Energy: 1.6533471863053142
Energy: 1.6536376378531161
Energy: 1.6524918545404315
Energy: 1.8442268537412838
Energy: 1.9848421494724533
Energy: 1.650969493037582
Energy: 1.6492720427273948
Energy: 1.6500918738600237
Energy: 1.650278889265503
Energy: 1.9854176141252977
Energy: 1.9518413282349512
Energy: 1.9864267426078674
Energy: 1.6499168164240408
Energy: 1.6546470605055388
Energy: 1.649748594196675
Energy: 1.651984877904522
Energy: 1.6538505909979953
Energy: 1.9503779668449797
Energy: 1.9841932290543685
Energy: 1.6551051045565326
Energy: 1.6551613219646524
Energy: 1.65434204786279
Energy: 1.6514374107545449
Energy: 1.6537056823617629
Energy: 1.8434943044085765
Energy: 1.9858687628451928
Energy: 1.6706742899181872
Energy: 1.9846294017988144
Energy: 1.6510334401756708
Energy: 1.6685623295117844
Energy: 1.981102756551718
Energy: 1.9466928086034945
Energy: 1.9856551024919094
Energy: 1.6538630228345261
Energy: 1.6532177451449417
Energy: 1.6535081813981078
Energy: 1.6535374166470769
Energy: 1.65290661341869
Energy: 1.6485419468226128
Energy: 1.9836349251640126
Energy: 1.6498989310182937
Energy: 1.6501641491789854
Energy: 1.6494494637316934
Energy: 1.6508983944422144
Energy: 1.9842506223606138
Energy: 1.6497568169235466
Energy: 1.9832997745440757
Energy: 1.65048274370473
Energy: 1.656046035497463
Energy: 1.649590564360379
Energy: 1.6495770302960333
Energy: 1.9835101426761632
Energy: 1.9479727867540995
Energy: 1.9854346481858416
Energy: 1.654210500555969
Energy: 1.6546542431964733
Energy: 1.6534238835584465
Energy: 1.6544386270874332
Energy: 1.6526792720690389
Energy: 2.15327244955908
Energy: 1.9852868969666302
Energy: 1.6741400807183497
Energy: 1.9820068195409408
Energy: 1.982726094076822
Energy: 1.667274907341598
Energy: 1.9860062580708706
Energy: 1.9492040366917192
Energy: 1.9850291131198077
Energy: 1.6534484320190848
Energy: 1.6535935145977136
Energy: 1.6543679506945628
Energy: 1.6542012854770864
Energy: 1.6534238032660535
Energy: 1.9496639139626846
Energy: 1.9832525012375652
Energy: 1.650361375534055
Energy: 1.6504388296318009
Energy: 1.655472649006834
Energy: 1.649686779901954
Energy: 1.9833505383328127
Energy: 1.649722824733872
Energy: 1.9848323697250356
Energy: 1.650045974510999
Energy: 1.6498340268870453
Energy: 1.6495166696319252
Energy: 1.6498516936708363
Energy: 1.98385466597661
Energy: 1.9461849636844555
Energy: 1.985584821951563
Energy: 1.6536587750450928
Energy: 1.6533651794771624
Energy: 1.6530084890787526
Energy: 1.653858755741012
Energy: 1.652404099315462
Energy: 1.8438411379458457
Energy: 1.9861325923935798
Energy: 1.668243798606771
Energy: 1.6502305241116848
Energy: 1.6499889827025267
Energy: 1.6513465660764606
Energy: 1.9860032848197622
Energy: 1.9515430736932204
Energy: 1.9839588848707372
Energy: 1.6492444240979893
Energy: 1.6543128774441938
Energy: 1.6553611677494409
Energy: 1.6555185082480488
Energy: 1.6538232847583891
Energy: 1.9523030912440915
Energy: 1.9839773203913984
Energy: 1.6530527655451532
Energy: 1.6516497738417655
Energy: 1.654815947675082
Energy: 1.6511641063058802
Energy: 1.6540548674289843
Energy: 1.8442181970451448
Energy: 1.9854694046950818
Energy: 1.651117402461772
Energy: 1.6502242340308861
Energy: 1.6496603694466212
Energy: 1.6513958321561268
Energy: 1.986394862000677
Energy: 1.9459489123513187
Energy: 1.9855375622385165
Energy: 1.6538911455192855
Energy: 1.6530669659432338
Energy: 1.6532324823757143
Energy: 1.6534924721366702
Energy: 1.652729882259525
Energy: 1.7806318461714319
Energy: 1.984234882241356
Energy: 1.650741671607344
Energy: 1.649933185644332
Energy: 1.649854699903964
Energy: 1.650351167436774
Energy: 1.9843362156220692

minimum gb energy = 1.6485419468226128 eV
minimum distance =  2.33685524107902 Angstroms
sigma value = 23