Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.548374074697496
cohesive_energy=4.048047252937728
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.8186612868971796e-19, 3.6026864227450795e-19, 4.1916305316371397e-19, 4.64570341147908e-19, 4.9507418208263395e-19, 5.13965446774128e-19, 5.285148127874819e-19, 5.428719176047559e-19, 5.579435932007939e-19, 5.72701242176568e-19, 5.854561703598419e-19, 5.953303849551839e-19, 6.0292310002371e-19, 6.09583348291248e-19, 6.15878300286234e-19, 6.21739062413406e-19, 6.270566866616519e-19, 6.318872492131619e-19, 6.363044501930999e-19, 6.4026983736225e-19, 6.43655236589892e-19, 6.462731932098479e-19, 6.47941059085842e-19, 6.485178426740819e-19, 6.478673589606779e-19, 6.457572923336999e-19, 6.42065877368964e-19, 6.369292990803599e-19, 6.30943567175736e-19, 6.25212581355918e-19, 6.20801789082516e-19, 6.16860434562876e-19, 6.07023070030116e-19, 5.724336786786899e-19, 4.67917288136334e-19, 1.95044176893258e-19, -4.497726377562839e-19, -1.87677368730126e-18, -4.9032693271609194e-18, -1.1149242782445539e-17, -2.38402280962566e-17, -4.9473772498949396e-17, -1.0136458866795119e-16, -2.0742099139090796e-16, -4.27872485346138e-16, -8.98309997327754e-16, -1.93937072839164e-15, -4.35726355206006e-15]
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: 0.01833198226914169
Energy: 0.018581821993405297
Energy: 0.17434463633048905
Energy: 0.1747019723295752
Energy: 0.022424405130619315
Energy: 0.01976119729656775
Energy: 0.17400384845822292
Energy: 0.1745629120931939
Energy: 0.1744569570002624
Energy: 0.02138972317877147
Energy: 0.0186994947041284
Energy: 0.4580627140290978
Energy: 0.17480583569074482
Energy: 1.3891689141110382
Energy: 0.17406623302613736
Energy: 0.17434868343794074
Energy: 0.17418575994101604
Energy: 0.17449243513996207
Energy: 1.3925671565401665
Energy: 0.17402875916301772
Energy: 0.17391218121611832
Energy: 0.018540177139296267
Energy: 0.01861671377637711
Energy: 0.17454030664601436
Energy: 1.1078455757144614
Energy: 0.17382403242477332
Energy: 0.019250696785431523
Energy: 0.018556614442891042
Energy: 0.17428869574797093
Energy: 0.17471156289164103
Energy: 1.1068260952210385
Energy: 0.019439524081544368
Energy: 0.01891684112650724
Energy: 0.1740853229318504
Energy: 0.17407552163923543
Energy: 0.17462965301029842
Energy: 0.01964549945988786
Energy: 0.018632460468449734
Energy: 0.4592595262506697
Energy: 0.17425022831510045
Energy: 0.17428142539939806
Energy: 0.17445901009985715
Energy: 0.1741719659627879
Energy: 0.019119038139944824
Energy: 0.01906907514657783
Energy: 1.1084203639008445
Energy: 0.17423913834954954
Energy: 0.17407289265039388
Energy: 0.01921240720805087
Energy: 0.4584824291704213
Energy: 0.17385147712536392
Energy: 1.108063783641046
Energy: 0.1739677543799703
Energy: 0.018962192983825035
Energy: 0.018491575489781763
Energy: 0.17397757066296995
Energy: 1.1069333626721292
Energy: 0.17390506597352415
Energy: 0.0190831916473332
Energy: 0.01879307089765662
Energy: 0.018699989413487363
Energy: 0.17420427793601437
Energy: 1.1078784028311124
Energy: 0.17395065836065784
Energy: 0.1744093038504269
Energy: 0.018887100325096922
Energy: 0.45812311522310184
Energy: 1.1064808869440905
Energy: 0.1738363801811835
Energy: 0.17454360391224638

minimum gb energy = 0.01833198226914169 eV
minimum distance =  2.48000495551939 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.8412068287442318
Energy: 0.9983790666746618
Energy: 0.99884514685359
Energy: 1.0120492539433608
Energy: 0.9699116932262433
Energy: 0.9635913132515245
Energy: 0.9709791604189869
Energy: 1.0456119610413277
Energy: 0.9746082869978269
Energy: 0.9934811807485978
Energy: 1.1085190694580285
Energy: 1.2293524331818533
Energy: 1.0581440829082753
Energy: 0.9715614321036876
Energy: 0.9054537659302241
Energy: 0.9928714754928467
Energy: 1.1532742500183262
Energy: 0.9739835050436271
Energy: 0.8991286954033149
Energy: 1.1261008181147247
Energy: 1.055706151243985
Energy: 1.0551974866475302
Energy: 0.9558640448351166
Energy: 0.9514852614340765
Energy: 0.9046060673123142
Energy: 0.8958338134811983
Energy: 1.053901960395193
Energy: 0.9534682995143979
Energy: 0.8951827608218951
Energy: 1.0831209446751482
Energy: 1.0744952971058603
Energy: 1.0686453535962148
Energy: 0.9859182842635984
Energy: 0.894541749407485
Energy: 0.9062768038211698
Energy: 0.8978698002935291
Energy: 1.0677604489112327
Energy: 0.9858573490639968
Energy: 1.0144602272653152
Energy: 1.0754670768989487
Energy: 1.1672557967532855
Energy: 1.1237755914670682
Energy: 1.128996451445032
Energy: 1.128275266065875
Energy: 1.1477839941574786
Energy: 1.0675097986880826
Energy: 1.0074418709667583
Energy: 1.094276639271702
Energy: 1.0476497453756153
Energy: 1.130945331638403
Energy: 1.0873256056236564
Energy: 1.0367565473682478
Energy: 1.1460780882659323
Energy: 1.0532336629735974
Energy: 1.2095908896924565
Energy: 1.0033124922053134
Energy: 1.0381640690650453
Energy: 1.0733533626764182
Energy: 0.9603330447304351
Energy: 1.1032210033064314
Energy: 1.0578311810853425
Energy: 1.1267473917146849
Energy: 1.1165555322019347
Energy: 1.0624635581309314
Energy: 1.03165283440658
Energy: 1.0778876303018243
Energy: 1.2529189507197338
Energy: 1.1119027554208742
Energy: 0.9769136482697908
Energy: 1.0554047431152158
Energy: 1.057355582841683
Energy: 1.041460529105447
Energy: 1.099400830962895
Energy: 1.0663397921472622
Energy: 1.0395845081534523
Energy: 1.0737907633631107
Energy: 1.0391376519876392
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Energy: 1.183488174580785
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Energy: 1.029196238190323
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Energy: 1.0482573573247276
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Energy: 0.9608648270038795
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Energy: 1.1088752462332732
Energy: 0.9735650409753422
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Energy: 1.035424304923476
Energy: 1.0725903036808222
Energy: 1.0872031565888065
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Energy: 0.9714283565506188
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Energy: 1.0710971610867854
Energy: 1.0901065436360486
Energy: 1.1050858945419035
Energy: 1.120311107411543
Energy: 1.0608935543789515
Energy: 1.0894776633618555
Energy: 1.0982233138340687
Energy: 1.05905594202388
Energy: 1.127445740846736
Energy: 1.0520280680249492
Energy: 1.0862681049468654
Energy: 1.0970124254914382
Energy: 1.0878131473088992
Energy: 1.0292238265189075
Energy: 1.2296613994068728
Energy: 1.0900111356942839
Energy: 1.0662281852144637
Energy: 1.0446257167142003
Energy: 0.9914338313039803
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Energy: 1.0899263237326065
Energy: 1.0673236854355281
Energy: 1.039956305710248
Energy: 1.0119583093544842
Energy: 1.181045116272368
Energy: 0.9240077846899643
Energy: 1.0534621951139145
Energy: 1.0378448690084434
Energy: 1.059702267880876
Energy: 1.0033569716886017
Energy: 0.9250657454329785
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Energy: 1.0377456935462916
Energy: 1.0716748271744976
Energy: 0.9066394336542349
Energy: 0.9863584327166613
Energy: 1.0660763566198992
Energy: 1.1066773989792724
Energy: 1.0757764469081033
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Energy: 0.9032494253916254
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Energy: 0.9954864705174497
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Energy: 1.2138361693782929
Energy: 1.0774318085743586
Energy: 1.051407204328713
Energy: 0.9939870568368732
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Energy: 1.086706619219586
Energy: 1.1557953740386482
Energy: 1.0576469000387865
Energy: 1.029360013914745
Energy: 1.0828137585569657
Energy: 1.0846127494762887
Energy: 1.1072537167961913
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Energy: 1.0867549699181795
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Energy: 1.0715883147138912
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Energy: 1.102144839724264
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Energy: 1.1800891916366973
Energy: 1.0684979013872526
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Energy: 1.0868006118536795
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Energy: 1.031955351171917
Energy: 1.092581266811181
Energy: 0.9873085184646571
Energy: 1.0416602235757253
Energy: 1.0642432423520716
Energy: 1.0309867087476605
Energy: 1.060746411508124
Energy: 1.1472495257389603
Energy: 1.0348050627922507
Energy: 1.1798259914119633
Energy: 0.9551543948980076
Energy: 0.9815802483409146
Energy: 1.134282567960436
Energy: 1.0543587538636894
Energy: 1.1952262448621802
Energy: 0.9843312471992763
Energy: 1.0129315987097438
Energy: 1.159137098337058
Energy: 1.0621762711652982
Energy: 1.0441818137980803
Energy: 1.0267151330665243
Energy: 0.9688279550799141
Energy: 1.1761258968325254
Energy: 0.9155824902414305
Energy: 0.9271561644530258
Energy: 1.0458921694815784
Energy: 0.9605921326516172
Energy: 1.0083253504037883
Energy: 0.9247703870621906
Energy: 1.0040109698004305
Energy: 0.953335194345884
Energy: 0.999318222533466
Energy: 0.951561274955665
Energy: 0.9212103295555838
Energy: 0.977786646715928
Energy: 1.0538890217805184
Energy: 1.0310962440404214
Energy: 1.0064054533769116
Energy: 0.9165143318476626
Energy: 1.2415224520689376
Energy: 1.0038834301518746
Energy: 1.040142339776514
Energy: 1.0853487289427386
Energy: 1.0396768508591878
Energy: 1.0713405023169247
Energy: 0.8947101262770937
Energy: 1.0419829771437104
Energy: 1.1715589776514335
Energy: 1.0420876117529798
Energy: 1.0631153667135036
Energy: 1.04488260135242
Energy: 0.981661521395171
Energy: 1.076501534210748
Energy: 1.0868490015387786
Energy: 1.0800422215126784
Energy: 0.8979224251029525
Energy: 0.982303127953764
Energy: 1.0461170390947612
Energy: 1.0872032887659393
Energy: 1.000698511932748
Energy: 1.1135897342988017
Energy: 0.9970274631956197
Energy: 0.9737593358757101
Energy: 1.0357589274646923
Energy: 0.8940503379423171
Energy: 0.8985123835203628
Energy: 0.9740908127896842
Energy: 1.0158126487264456
Energy: 1.1964991814669232
Energy: 0.9904346576386913
Energy: 0.9695892038099992
Energy: 1.0401688910499534
Energy: 0.9850237942182887
Energy: 0.9688486591116513
Energy: 0.9595594423470287
Energy: 0.9705370192111605
Energy: 1.030967158345047
Energy: 1.0096894804417296
Energy: 1.0464015895105916

minimum gb energy = 0.8940503379423171 eV
minimum distance =  2.25267949995893 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.2145844676829889
Energy: 1.055341862944718
Energy: 1.19853483392278
Energy: 1.2018297738789017
Energy: 1.190617855386282
Energy: 1.2037830197455144
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Energy: 1.0455289583356189
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Energy: 0.9768867911860668
Energy: 1.1973362950113138
Energy: 1.2923675885073702
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Energy: 1.1735712188088738
Energy: 1.1305397378387632
Energy: 0.9196366176724959
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Energy: 1.055153434907687
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Energy: 1.0074700069128428
Energy: 1.0998929960393737
Energy: 1.0137242548992484
Energy: 0.933869045495191
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Energy: 1.0318497402651414
Energy: 1.138350174841832
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Energy: 0.9870257385735816
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Energy: 1.4004659425043262
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Energy: 1.1986163115199018
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Energy: 1.0814434915616604
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Energy: 1.0503331008426202
Energy: 1.1998444653745812
Energy: 1.374493274942781
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Energy: 1.0616337562308529
Energy: 0.973680306048439
Energy: 1.1601363420154993
Energy: 1.295591190512476
Energy: 1.1256950245580388
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Energy: 0.9682320627793533
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Energy: 1.1421950883007577
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Energy: 1.059062405071897
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Energy: 1.2205203345849838
Energy: 1.2566947844430847
Energy: 1.21506081186716
Energy: 1.2192841022279117
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minimum gb energy = 0.9150329322095679 eV
minimum distance =  2.23200860206795 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.085315096304429
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Energy: 1.2256953799121142
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Energy: 1.2299811559034182
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Energy: 1.2171369780813224
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Energy: 1.107859486465715
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Energy: 1.1769849081137316
Energy: 1.1609262417618365
Energy: 1.161846169782061
Energy: 1.1938460709317096
Energy: 1.2591197400756013
Energy: 1.1709744960503974
Energy: 1.135578882105128
Energy: 1.1610646943419467
Energy: 1.2536653720592328
Energy: 1.2325202817570853
Energy: 1.16600389168904
Energy: 1.1261490047895182
Energy: 1.1599915527989255
Energy: 1.2548627319610686
Energy: 1.2253573228579073
Energy: 1.164518091858711
Energy: 1.153688763122679
Energy: 1.1564005729173925
Energy: 1.2217372972051346
Energy: 1.1766459572138213
Energy: 1.1536443531139033
Energy: 1.1421566588240144
Energy: 1.1520358425720474
Energy: 1.317469266236663
Energy: 1.1666044387125936
Energy: 1.145082656639817
Energy: 1.1741013147106552
Energy: 1.1786058013595848
Energy: 1.1684682962409063
Energy: 1.1576332020264308
Energy: 1.119428223470701
Energy: 1.1712808745128087
Energy: 1.1763453492405154
Energy: 1.2110318350231153
Energy: 1.2596253208325119
Energy: 1.1097556645855398
Energy: 1.232605442933258
Energy: 1.2275491597131778
Energy: 1.1592053928846953
Energy: 1.255312589446934
Energy: 1.1008365675264875
Energy: 1.2268444028076488
Energy: 1.251368958724209
Energy: 1.1577011492839626
Energy: 1.2364764010291747
Energy: 1.2611101065204633
Energy: 1.2297506340064388
Energy: 1.2244585720803194
Energy: 1.2326364764171867
Energy: 1.2475673780810062
Energy: 1.2586571803848927
Energy: 1.2227252874013046
Energy: 1.2239902512318357
Energy: 1.230502245035809
Energy: 1.1682175491484794
Energy: 1.178712911008135
Energy: 1.0791057582861798
Energy: 1.142039326451669
Energy: 1.2121399719450439
Energy: 1.045714427037567
Energy: 1.212425070663265
Energy: 1.0822680444782065
Energy: 1.0813363808860375
Energy: 1.2582522209192144
Energy: 1.1389549091963649
Energy: 1.0778352988576165
Energy: 1.0898212469158532
Energy: 1.0866614502028786
Energy: 1.0759234802342719
Energy: 1.1446563681436424
Energy: 1.0771332819605521
Energy: 1.0845584702383952
Energy: 1.0849751751391792
Energy: 1.147451352619581

minimum gb energy = 1.025386671352431 eV
minimum distance =  2.23974553090328 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.5059070469199343
Energy: 1.1463964704311445
Energy: 1.1033026523669942
Energy: 1.0828187627707906
Energy: 1.1689275751965977
Energy: 1.1395814358262384
Energy: 1.160082977006574
Energy: 1.0312745699092416
Energy: 1.109918608113131
Energy: 1.148343874930866
Energy: 1.1459823520499424
Energy: 1.1405298256187903
Energy: 1.0316823288309176
Energy: 1.1499362698485953
Energy: 1.142251339378364
Energy: 1.1326136433093181
Energy: 1.149353468119564
Energy: 1.0604006080352124
Energy: 1.1510622255025909
Energy: 1.129883555457838
Energy: 1.1502985048984
Energy: 1.16620934672798
Energy: 1.0865082150082956
Energy: 1.1691762866555697
Energy: 1.0947215532099055
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Energy: 1.1703954134199799
Energy: 1.166609931338619
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Energy: 1.0946563849991677
Energy: 1.1499218216619818
Energy: 1.134308369196223
Energy: 1.1301208664434321
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Energy: 1.1652134575436721
Energy: 1.166742252050669
Energy: 1.09304177790566
Energy: 1.1754060203706522
Energy: 1.0915057484439366
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Energy: 1.0907428919744768
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Energy: 1.1441693973200364
Energy: 0.9969572718800844
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Energy: 1.0840827120387173
Energy: 1.1030913552179233
Energy: 1.0293206260564156
Energy: 1.072432448899639
Energy: 1.1313912227289844
Energy: 1.1338682662208759
Energy: 1.1709344941830004
Energy: 1.080530208206837
Energy: 1.1526153502116372
Energy: 1.1315860268044675
Energy: 1.1425662507479624
Energy: 1.1309697449679639
Energy: 1.0847566513871099
Energy: 1.1528353731428203
Energy: 1.1314668876009182
Energy: 1.1630978542367758
Energy: 1.1649509637193736
Energy: 1.167380394808869
Energy: 1.1635115857779985
Energy: 1.1190276254119509
Energy: 1.1719288513656554
Energy: 1.1718875726112017
Energy: 1.17313845747964
Energy: 1.1637337874526965
Energy: 1.5252215599394254
Energy: 1.1869251943945494
Energy: 1.1350078321563666
Energy: 1.1562580565063345
Energy: 1.1534280023199532
Energy: 1.069903149386164
Energy: 1.171815800280138
Energy: 1.060323647180377
Energy: 1.1507837600134085
Energy: 1.1506517536789946
Energy: 1.0691869837742662
Energy: 1.1722091116141802
Energy: 1.045458365712503
Energy: 1.1023620913157703
Energy: 1.0589069439743655
Energy: 1.1035605990738433
Energy: 1.149958240544315
Energy: 1.1608196688883323
Energy: 1.1023296525708108
Energy: 1.0591250328193296
Energy: 1.1033514922148842
Energy: 1.1564975838088891
Energy: 1.1139765981204717
Energy: 1.1035611149942801
Energy: 1.0007803038445466
Energy: 1.0943899697394737
Energy: 1.1568690915967392
Energy: 1.1138407948118683
Energy: 1.1053683493190083
Energy: 1.0001944027963485
Energy: 1.0910357712347125
Energy: 1.1469455914255455
Energy: 1.1524661508104963
Energy: 1.1590173215879254
Energy: 1.1246479532231606
Energy: 1.1384795670208674
Energy: 1.1440174193820325
Energy: 1.1499560587811215
Energy: 1.0824708709761741
Energy: 1.1246500705941023
Energy: 1.1414616596293004

minimum gb energy = 0.9969572718800844 eV
minimum distance =  2.24461738239092 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.0067651064214995
Energy: 1.0644348124972913
Energy: 1.052359170385227
Energy: 0.9304854787681301
Energy: 1.0068267487184934
Energy: 0.9234187134210333
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Energy: 1.0635085614545168
Energy: 1.0129453998388882
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Energy: 1.0580582664505147
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Energy: 1.067851835159184
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Energy: 1.03156004535893
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Energy: 1.0649545844507002
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Energy: 1.0242910849070115
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Energy: 1.091609454346339
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Energy: 1.0289457805277902
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Energy: 1.0649034484057625
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Energy: 1.0685319919050738
Energy: 1.079999217022079
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Energy: 1.066024198109619
Energy: 0.9983603371876574
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Energy: 1.0761065638369232
Energy: 1.0688089435280204
Energy: 1.179004858247132
Energy: 1.0557036371498518
Energy: 1.0424873502218652
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Energy: 1.1143240396418985
Energy: 1.1817304360911216
Energy: 1.0781778071258772
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Energy: 1.0384644469124333
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Energy: 1.0657534986700612
Energy: 1.0656217872205724
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Energy: 1.046700709535386
Energy: 1.1028746428626628
Energy: 1.017355611220104
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Energy: 1.0370671610164968
Energy: 0.9351882551704098
Energy: 0.9307972302655928
Energy: 1.0177656091044402
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Energy: 1.035872987050638
Energy: 0.9494956775721828
Energy: 1.0403601256858321
Energy: 1.0644248586495064
Energy: 1.0833145425464457
Energy: 1.0454467377285883
Energy: 0.9997315607389249
Energy: 1.0729297592769478
Energy: 1.0924574246554142
Energy: 1.0776065491626674
Energy: 1.0270499352630893
Energy: 1.027878426511366
Energy: 0.9779070896537247
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Energy: 1.0307167234131451
Energy: 1.030849990282473
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Energy: 1.054841817137238
Energy: 1.0849723528438837
Energy: 0.9327025539171486
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Energy: 1.0663828987215418
Energy: 1.0403160933346798
Energy: 1.038295722011081
Energy: 1.0587498561163473
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Energy: 1.0644012628990596
Energy: 1.0426239369306114
Energy: 1.0831013882080782
Energy: 1.0216519656825764
Energy: 0.9421071659961114
Energy: 0.9959083855793069
Energy: 1.0179088713760944
Energy: 0.9631493028902673
Energy: 1.0671266561085453
Energy: 0.9751024388560522
Energy: 0.9326977236548398
Energy: 1.2454198139616057
Energy: 1.0370007576100317
Energy: 1.0362336158814143
Energy: 0.9301958387250105
Energy: 1.0186734761511953
Energy: 1.0141093965440313
Energy: 1.0092166265525429
Energy: 1.1331694480748298
Energy: 0.931607775448979
Energy: 1.048341931683742
Energy: 1.0416186999672468
Energy: 0.9303155852011689
Energy: 1.150386294102305
Energy: 0.9319867985310263
Energy: 0.9742861716929273
Energy: 0.9723611807276786
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Energy: 1.0117998179776315
Energy: 1.0125958835168545
Energy: 1.0646534865942545
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Energy: 0.9757581664255572
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Energy: 1.0470243802906474
Energy: 1.0152379483710823
Energy: 1.0698855973741541
Energy: 1.04030044830309
Energy: 1.0997068237811634
Energy: 1.0825180357887003
Energy: 1.0147330689165934
Energy: 1.036670256677094
Energy: 1.0513439781034977
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Energy: 1.023027986299945
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Energy: 1.0718689191174893
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Energy: 1.069165463498894
Energy: 1.0853233921865206
Energy: 1.114699087767878
Energy: 1.08974047577558
Energy: 1.0576711515449546
Energy: 1.0660571012299236
Energy: 1.079809978647181
Energy: 1.0654881899157467
Energy: 1.0880483841613533
Energy: 1.0673640753634874
Energy: 1.0012561779214588
Energy: 1.0786792668694871
Energy: 1.1533970585481168
Energy: 1.0887394517804587
Energy: 0.9467657470369508
Energy: 1.055873554362389
Energy: 1.040764325267931
Energy: 1.0202335179539763
Energy: 1.079209919211627
Energy: 1.07388314708134
Energy: 1.0770852406653142
Energy: 1.0466096190783805
Energy: 1.0794925440753136
Energy: 1.0877141438574998
Energy: 1.0562860707314812
Energy: 1.0726072988998883
Energy: 1.0358107112907042
Energy: 1.0718215706253151
Energy: 1.058330993258815
Energy: 1.0451490830761307
Energy: 1.0633650124954774
Energy: 1.1012855504130994
Energy: 1.0692993411946983
Energy: 1.0498689772278411
Energy: 1.0361999656148966
Energy: 1.0370128611683966
Energy: 1.0982738091682127
Energy: 1.0460002439120382
Energy: 1.0770978518567613
Energy: 1.077932953990047
Energy: 1.0805964171841906
Energy: 1.000245281765314
Energy: 1.03872364083308
Energy: 1.0568404093162747
Energy: 1.0866136512112157
Energy: 1.082497253433409
Energy: 1.0230784775189563
Energy: 1.0379885727554683
Energy: 1.0634289907380143
Energy: 0.9748583393872307
Energy: 1.02966140379049
Energy: 1.022053254231952
Energy: 1.0103962921945642
Energy: 1.0700767765183399
Energy: 1.0290282609322512
Energy: 1.0316373135217756
Energy: 0.939101530938969
Energy: 1.0824091666138211
Energy: 1.0186381213148668
Energy: 1.0003874886136457
Energy: 0.9864963337612442
Energy: 0.9982171501903421
Energy: 1.0822348700404103
Energy: 1.0509576617242733
Energy: 1.0848451652145843
Energy: 1.052705649430541
Energy: 1.0806761500898066
Energy: 1.0808170237769643
Energy: 1.0567746009392696
Energy: 0.9892842133863734
Energy: 0.9385242031735307
Energy: 1.0063869684071363
Energy: 1.0169529767791678
Energy: 0.9748934519175234
Energy: 1.01326216748293
Energy: 0.9747674368075867
Energy: 1.0975829964201287
Energy: 1.1841977466746108
Energy: 0.9313945278921305
Energy: 0.9987684288251093
Energy: 1.004740415328259
Energy: 1.0202906575536
Energy: 1.1695386274940187
Energy: 0.9322042975943948
Energy: 0.9932579382534263
Energy: 0.9292980922496193
Energy: 1.047718526379444

minimum gb energy = 0.9234187134210333 eV
minimum distance =  2.28315263838798 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.8020726738773775
Energy: 0.7507242927930574
Energy: 0.8981744006763012
Energy: 0.8053500591788537
Energy: 0.611586676850488
Energy: 0.6139454184848014
Energy: 0.8119088362364434
Energy: 0.8421081964810251
Energy: 0.886079934511636
Energy: 0.7448242286000787
Energy: 0.7243677928461231
Energy: 0.8830607076396797
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Energy: 0.8997474658230491
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Energy: 0.853100190334181
Energy: 0.7222410788620778
Energy: 0.9439038635927012
Energy: 0.7529830167381716
Energy: 0.7307699960080044
Energy: 0.8613120515368917
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Energy: 0.9491127303384845
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Energy: 0.8738249839223954
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Energy: 0.8130961992615103
Energy: 0.8586201054810686
Energy: 0.7406318824252346
Energy: 0.6215566753260031
Energy: 0.6039464960195557
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Energy: 0.8460945409686749
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Energy: 0.7531153689321298
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Energy: 0.8476507429586317
Energy: 0.8815949621584203
Energy: 0.8783527841522871
Energy: 0.8423705168831687
Energy: 0.8162893502204074
Energy: 0.7730884373817651
Energy: 0.8801997286694777
Energy: 0.751429896863967
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Energy: 0.531397589620563
Energy: 0.7955531676085827
Energy: 0.908633209709533
Energy: 0.7662277849233021
Energy: 0.47426348223583015
Energy: 0.5344482631485071
Energy: 0.7556714893632867
Energy: 0.769027930379902
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Energy: 0.8640972774940775
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Energy: 0.9076896775343405
Energy: 0.5531436820308181
Energy: 0.7565313329857307
Energy: 0.9607333457349083
Energy: 0.9471003008901944
Energy: 0.9220515796626281
Energy: 0.8870093921687622
Energy: 0.9426640393265205
Energy: 0.9564617462471489
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Energy: 0.9092765072093758
Energy: 0.7687412226256046
Energy: 0.7617702388370949
Energy: 0.9505822352184272
Energy: 0.8222747104768536
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Energy: 0.9318089506680693
Energy: 0.5401863717422921
Energy: 0.5654773571151054
Energy: 0.8854119755943932
Energy: 1.0069213932113354
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Energy: 0.5820860211305857
Energy: 0.9424844149152318
Energy: 0.758332637281221
Energy: 0.8778996275596196
Energy: 0.9116746896576053
Energy: 0.5823026204062721
Energy: 0.9271652307829833
Energy: 0.7463750426995901
Energy: 0.9486593503227684
Energy: 0.9338953104870527
Energy: 0.6149201691253043
Energy: 0.8753865572937107
Energy: 0.9308176758978538
Energy: 0.9492526799754412
Energy: 0.5801902745724852
Energy: 0.5840895755627562
Energy: 0.8982737103662078
Energy: 1.0290392727218565
Energy: 0.9297404768635387
Energy: 0.6097792561605831
Energy: 0.6055263990844593
Energy: 0.8937998493289575
Energy: 0.9475919004319161
Energy: 0.947411323473303
Energy: 0.5399506281021511
Energy: 0.5413362049945714
Energy: 0.8778002825479234
Energy: 0.9198586298011903
Energy: 0.9097917747950752
Energy: 0.8816259818635547
Energy: 0.9477627586464124
Energy: 0.9225591769561303
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Energy: 0.9309745620267053
Energy: 0.5135343989019184
Energy: 0.5530700589826888
Energy: 0.9340273600087724
Energy: 0.9418115623583895
Energy: 0.8864337063861558
Energy: 0.5879594642769587
Energy: 0.5841554041793025
Energy: 0.9454659850402478
Energy: 0.9781576788448795
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Energy: 0.5378159674123243
Energy: 0.47415345760013067
Energy: 0.8781695156803906
Energy: 1.0611328623083236
Energy: 0.9460142935290995
Energy: 0.5802354601110853
Energy: 0.5647248471946744
Energy: 0.8887972236534987
Energy: 0.9174469528378014
Energy: 0.9099125511287385
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Energy: 0.9420396398842457
Energy: 0.9563650477617659
Energy: 0.9806841631655134
Energy: 0.9346231467520186
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Energy: 0.9252459875452168
Energy: 0.9555263750926958
Energy: 0.8933313502464262
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Energy: 0.936391734596838
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Energy: 1.0188849978899914
Energy: 1.0577942106392402
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Energy: 1.0020125595407248
Energy: 1.066858497965031
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Energy: 0.8934613508816157
Energy: 1.0170158625665264
Energy: 1.020537835110536
Energy: 0.9207048794196324
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Energy: 0.5827626102971282
Energy: 1.0290133239146544
Energy: 1.0765905564966933
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Energy: 0.9218662153643052
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Energy: 0.47467769102324353
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Energy: 0.9652017467054538
Energy: 0.9378739056871724
Energy: 0.5495123777050479
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Energy: 0.919746564965003
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Energy: 0.9296308224497984
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Energy: 0.9633312135771362
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Energy: 0.9746514698933939
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Energy: 0.9711706533776547
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Energy: 0.7559843598417149
Energy: 0.8266965682523942
Energy: 0.7981259498888855
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Energy: 0.8649773440031924
Energy: 0.7309452801343498
Energy: 0.9270166712323394
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Energy: 0.8872999944433423
Energy: 0.9570021255401954
Energy: 0.7851628041568546
Energy: 0.47386817833046657
Energy: 0.4755282632367138
Energy: 0.7610937888670676
Energy: 0.8763898528881706
Energy: 0.7650965555776349
Energy: 0.47414154631869193
Energy: 0.4740928104823217
Energy: 0.8412127219703358
Energy: 0.9362743276467785
Energy: 0.7482089880393716
Energy: 0.7791846584391181
Energy: 0.5357502568390557
Energy: 0.951930760597827
Energy: 0.73081811636527
Energy: 0.8650715466810407
Energy: 0.8773997625935493
Energy: 0.7192929756216414
Energy: 0.7914472311758126
Energy: 0.9342978813251991
Energy: 0.7770375358194936
Energy: 0.5809222078711567
Energy: 0.8982143545221859
Energy: 0.8290672063825546
Energy: 0.9642434295859351
Energy: 0.8625758132293446
Energy: 0.6288194786705388
Energy: 0.8928594525584003
Energy: 0.8761443867120492
Energy: 0.8273363454672407
Energy: 0.578207984334796
Energy: 0.5401220923428455
Energy: 0.8886682414180884
Energy: 0.8268967732052521
Energy: 0.7262176710755346
Energy: 0.626183309257663
Energy: 0.6050818576906505
Energy: 0.8157375118027222
Energy: 0.9466662896607769
Energy: 0.860936402308976
Energy: 0.8718271099543392
Energy: 0.7770946499826551
Energy: 0.9084645391185805
Energy: 0.9450956082635084
Energy: 0.8110296643812149
Energy: 0.8138332873769952
Energy: 0.8773457232170846
Energy: 0.8788404286783835
Energy: 0.9177114796926494
Energy: 0.8980435738496104
Energy: 0.7599703432475409
Energy: 0.8268976628309066
Energy: 0.9748519323581528
Energy: 0.8396403094542886
Energy: 0.8623511193768345
Energy: 0.6202675103313817
Energy: 0.8160015067984177
Energy: 0.7316948881817671
Energy: 0.8801561559272333
Energy: 0.7500893955729179

minimum gb energy = 0.47386817833046657 eV
minimum distance =  2.34553968447526 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.9428726996934927
Energy: 0.8880579641934985
Energy: 0.9245520810183255
Energy: 0.940958331516227
Energy: 0.8549014875440352
Energy: 0.8480561273374554
Energy: 0.8874219546533169
Energy: 1.000847805045883
Energy: 0.9024742059942861
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Energy: 0.8899809193397927
Energy: 0.9570381716459369
Energy: 0.9305597256968611
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Energy: 0.9071538796475282
Energy: 0.9085468485414293
Energy: 0.8981923292778782
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Energy: 0.9197420228456444
Energy: 0.962779460938623
Energy: 0.8564699121892855
Energy: 0.8790898330230481
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Energy: 0.854445932030266
Energy: 0.8643606435475683
Energy: 0.9207062937538266
Energy: 0.928032867910085
Energy: 0.8832572428793699
Energy: 0.8665352417236301
Energy: 0.8651206646528308
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Energy: 0.9443146376498516
Energy: 0.8993756638953738
Energy: 0.9465527680205116
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Energy: 0.9228674006825538
Energy: 0.891855182827555
Energy: 0.8937680727857295
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Energy: 0.9097339726641083
Energy: 0.9227560521471644
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Energy: 0.9597771379745779
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Energy: 0.8906862116760349
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Energy: 0.9434029859742715
Energy: 0.8812360751957089
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Energy: 0.8917583824974549
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Energy: 0.9110755958266242
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Energy: 0.8650206092517773
Energy: 0.8623445341716129
Energy: 0.9378892951475876
Energy: 1.1974795166914565
Energy: 0.9062852974057989
Energy: 0.8988835652472249
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Energy: 0.9372973955022014
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Energy: 0.916264726625159
Energy: 0.8812209867578727
Energy: 0.9365516715885881
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Energy: 0.9288788303185597
Energy: 1.0857359910139381
Energy: 0.880430559201263
Energy: 0.8823822655855827
Energy: 0.8902693403725951
Energy: 0.9314287878662233
Energy: 0.9084271406036306
Energy: 0.881880472056186
Energy: 0.8841562285289631
Energy: 0.9110033078646891
Energy: 0.8710365857718728
Energy: 0.8926060448415063
Energy: 0.9253404611530405
Energy: 0.870581374452963
Energy: 0.9098247644707593
Energy: 0.8713769052831349
Energy: 0.8931999027063456
Energy: 0.9431671746538912
Energy: 0.8845677853580124
Energy: 0.9316342571332782
Energy: 0.8760921248716089
Energy: 0.8794676192803655
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Energy: 0.8704085130255259
Energy: 0.8747765501377933
Energy: 0.8960568437096181
Energy: 0.8772839254756235
Energy: 0.8690158940846372
Energy: 0.8722478970153106
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Energy: 0.8946566793377915
Energy: 0.8691021333598955
Energy: 0.8963918226125118
Energy: 0.87821695743749
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Energy: 0.9008082326211578
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Energy: 0.9123176797139738
Energy: 0.894686936294107
Energy: 0.8917832283048927
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Energy: 0.8918357367181391
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Energy: 0.8965255490794484
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Energy: 0.8534802085913683
Energy: 0.8873220042505705
Energy: 0.9694157926155896
Energy: 0.9014008856900747
Energy: 0.8559149608591142

minimum gb energy = 0.8480561273374554 eV
minimum distance =  2.27594615951228 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.72447282043151
Energy: 1.166028941559276
Energy: 1.2225059987778886
Energy: 1.148146468917974
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Energy: 1.1411644056548595
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Energy: 1.1636705912255176
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Energy: 1.1293168795296928
Energy: 1.1943277340869143
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Energy: 1.1793635544566112
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Energy: 1.1786506547072326
Energy: 1.0905012579090394
Energy: 1.219267390395669
Energy: 1.1414330007126139
Energy: 1.1800455134809344
Energy: 1.1787025830931448
Energy: 1.0907857092239552
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Energy: 1.1434125467202494
Energy: 1.1822869142489494
Energy: 1.1804084895262237
Energy: 1.1799831527139653
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Energy: 1.1660286585958646
Energy: 1.1801502109396218
Energy: 1.1406776168905488
Energy: 1.1421212335091777
Energy: 1.1416817683343699

minimum gb energy = 1.0905012579090394 eV
minimum distance =  2.29486989606486 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.9595918515527468
Energy: 1.2317430380678442
Energy: 1.2979056861804426
Energy: 1.2095127731011488
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Energy: 1.9628994740222674
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Energy: 1.1996113766824534
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Energy: 1.3504747061123774
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Energy: 1.312493415095648
Energy: 1.3449173699577548
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Energy: 1.2913432318363984
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Energy: 1.1963295407608068
Energy: 1.2230293445514162
Energy: 1.2931021440957586
Energy: 1.3041527032877025
Energy: 1.3398066589307518
Energy: 1.1970218784599163
Energy: 1.2234191395507
Energy: 1.273081239488017
Energy: 1.2268544728551356
Energy: 1.2909534344403701
Energy: 1.1979579173418908
Energy: 1.2271698527702726
Energy: 1.1975781060006974
Energy: 1.2333854800743307
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minimum gb energy = 1.189721802741278 eV
minimum distance =  2.22729834202694 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.1972060453885858
Energy: 1.2912226960056845
Energy: 1.2262222574163362
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Energy: 1.2174261665950068
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Energy: 1.2118970708471597
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Energy: 1.3041163035546761
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Energy: 1.196943335553588
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Energy: 1.2246775687944762
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Energy: 1.186252998860067
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Energy: 1.163147805565195
Energy: 1.1861781715819057
Energy: 1.2802542472574776
Energy: 1.173180987948174
Energy: 1.2941257787813931
Energy: 1.2659553401582082
Energy: 1.2345261392247764
Energy: 1.3547275214187835
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Energy: 1.297459824231019
Energy: 1.2168288505502134
Energy: 1.2676680288058422
Energy: 1.355498726927475
Energy: 1.8393687479038683
Energy: 1.3257119587620847
Energy: 1.1737350746852193
Energy: 1.2062185747819312
Energy: 1.2996577891664358
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Energy: 1.3283637524604055
Energy: 1.1737251178561559
Energy: 1.2344152213992778
Energy: 1.3002033950559377
Energy: 1.1696521301799736
Energy: 1.1964593042120046
Energy: 1.2418693628588129
Energy: 1.172081487503457
Energy: 1.2790885880761562
Energy: 1.17219762002756
Energy: 1.196538756694088
Energy: 1.190616975128616
Energy: 1.171930641846713
Energy: 1.2785445232202493
Energy: 1.2153300144935957
Energy: 1.1980601012804146
Energy: 1.3224758189379382
Energy: 1.227075560021287
Energy: 1.2063571373648438
Energy: 1.2231608379525354
Energy: 1.1967483813030189
Energy: 1.2938597265685323
Energy: 1.2507225764457794
Energy: 1.206424497388288
Energy: 1.3010304945142617
Energy: 1.197021711033868
Energy: 1.3071047382993664
Energy: 1.2369245342816546
Energy: 1.2930419376175932
Energy: 1.2580001058570458
Energy: 1.166408092998482
Energy: 1.169808776942068
Energy: 1.237735884862286
Energy: 1.293777567175191
Energy: 1.2580187603386466
Energy: 1.2371120666316033
Energy: 1.246340219855338
Energy: 1.2444141803309874
Energy: 1.1967118233186653
Energy: 1.2568196159441376
Energy: 1.2366719029593014
Energy: 1.268826590825213
Energy: 1.320239680644206
Energy: 1.1961510817186904
Energy: 1.2569849905261867
Energy: 1.166838225954903
Energy: 1.2374878476418474
Energy: 1.197883877334834
Energy: 1.1924188693517694
Energy: 1.1743851025024266
Energy: 1.1615994326577344
Energy: 1.2371604674879386
Energy: 1.1984652031514758
Energy: 1.187743710700559
Energy: 1.1671463657478958

minimum gb energy = 1.1604096015182526 eV
minimum distance =  2.22912265912936 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.0369962668922004
Energy: 0.860814391483264
Energy: 1.0138430477503826
Energy: 1.046519929435407
Energy: 0.8610773415370648
Energy: 1.036315604038206
Energy: 0.8990563176109105
Energy: 1.0144563152223285
Energy: 1.0473784150039198
Energy: 0.8612106789595817
Energy: 1.1671829965410936
Energy: 0.8979039772205959
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Energy: 0.8983326751716411
Energy: 0.8988000447687977
Energy: 1.046301432540422
Energy: 0.9734516350688575
Energy: 0.9021784076192576
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Energy: 0.8985131099183659
Energy: 1.0463328208852247
Energy: 0.9008549668698007
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Energy: 1.1181841791177969
Energy: 1.0149204358112078
Energy: 0.8617633489538721
Energy: 0.8621360061534066
Energy: 0.8984399778987704
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Energy: 0.860740158977265
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Energy: 0.8711105363215736
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Energy: 0.8977028183060042
Energy: 0.8992083475331917
Energy: 1.0158829006254952
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Energy: 1.1187529693743519
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Energy: 1.0323144477267558
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Energy: 0.8627386102967977
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Energy: 0.897202012387796
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Energy: 0.8984195016743345
Energy: 0.8979344446701972
Energy: 0.8982813163071472
Energy: 0.8639522329769612
Energy: 1.016025893125927
Energy: 0.9718792917509491
Energy: 0.9712156305806928
Energy: 1.2654367332863443
Energy: 1.0152894934268764
Energy: 1.0455989662727734
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Energy: 1.1179005414765641
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Energy: 0.870525735735214
Energy: 0.9718674995364132
Energy: 1.1178927718730254
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Energy: 1.0133424012160435
Energy: 1.046193969552059
Energy: 0.8610566702403112
Energy: 1.0365913224520327
Energy: 0.8991851044067388
Energy: 1.0165299987705276
Energy: 1.047371937530428
Energy: 0.8611921135085199
Energy: 1.0166015608687824
Energy: 0.8978969753113465
Energy: 0.8973339155368562
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Energy: 0.9720421765695617
Energy: 1.016893933938947
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Energy: 1.0169514479880477
Energy: 1.1191006201496303
Energy: 1.0154057045496536
Energy: 0.8613913079762642
Energy: 0.8623925408432508
Energy: 0.8982742669069074
Energy: 1.1185528237196853
Energy: 1.0161514784305625
Energy: 0.8614022648385141
Energy: 0.8614560220884477
Energy: 0.9005164305014668
Energy: 1.1195944648154783
Energy: 1.0462611496336238
Energy: 0.8607847777944737
Energy: 0.965249490897334
Energy: 0.9744917140325402
Energy: 0.972206852424016
Energy: 1.047328033087319
Energy: 0.8613243566906907
Energy: 0.8611672247205552
Energy: 0.9730504708835788
Energy: 0.9003338734675868
Energy: 0.8999298118777692
Energy: 1.0167984573563211
Energy: 1.0467857171373793
Energy: 0.8979637389955715
Energy: 0.8613123202255736
Energy: 1.046911644783178
Energy: 1.0153914918782359
Energy: 1.046196524974886
Energy: 0.97166054973272
Energy: 0.860778386899163
Energy: 1.0151037764573205
Energy: 0.8713766714047463
Energy: 0.8981386306282868
Energy: 1.047698334184459
Energy: 1.1199739594125848
Energy: 0.9722113949404525
Energy: 0.8710763247830753
Energy: 0.8976833544613256
Energy: 0.8978840571653249
Energy: 1.121042666450656
Energy: 0.899468263708013
Energy: 1.118110189185069
Energy: 0.8999831340618898
Energy: 1.032388311248598
Energy: 0.8626643365576834
Energy: 0.8996260663090992
Energy: 1.2651917393374443
Energy: 0.972638459504334
Energy: 1.0320316062353303
Energy: 0.8623249849761208
Energy: 0.8981981009983261
Energy: 0.8616144871793939
Energy: 0.8973008934568683
Energy: 0.8629730878544423
Energy: 1.0164881205504006
Energy: 0.8977906086067756
Energy: 0.8979920541565234
Energy: 0.8982175439258263
Energy: 0.8638870083788663
Energy: 0.9015932490280468
Energy: 0.9726856887457506
Energy: 0.9713639602136839
Energy: 1.265172823636085
Energy: 1.0165282754524185
Energy: 1.044888845451415
Energy: 0.9720387255813704
Energy: 0.9709758299484205
Energy: 1.2638556771975666
Energy: 0.8993234592712095
Energy: 1.0441193066839085
Energy: 0.8616579054378908
Energy: 0.8977251653459442
Energy: 0.9005967780397267
Energy: 0.9732469651393639
Energy: 1.0161019222531495
Energy: 0.8620848581245499
Energy: 0.8979304334506629
Energy: 0.8703997962778592
Energy: 0.9712661909318172
Energy: 1.117241714315408

minimum gb energy = 0.860532080869467 eV
minimum distance =  2.24527492549918 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.2868742800030164
Energy: 1.2315683805613262
Energy: 1.2900717317409545
Energy: 1.2324579126648847
Energy: 1.2103730043392937
Energy: 1.082581677353671
Energy: 1.2237876029636172
Energy: 1.260291264095929
Energy: 1.1772788456632848
Energy: 1.095211310802576
Energy: 1.1133216917242221
Energy: 1.1275775754448965
Energy: 1.153538814109925
Energy: 1.1558248408815102
Energy: 1.1216860572855036
Energy: 1.0954059539000343
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Energy: 1.2482332212931633
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Energy: 1.1128871399492801
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Energy: 1.1258266143286462
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Energy: 1.3166954766397183
Energy: 1.3193662531782084
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Energy: 1.1171601671533438
Energy: 1.1391185675217959
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Energy: 1.1210343902737239
Energy: 1.0975912104618952
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Energy: 1.2622341350729867
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Energy: 1.1651304333908659
Energy: 1.1384501188079892
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Energy: 1.1878908041118037
Energy: 1.0903435219214677
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Energy: 1.1653099123480235
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Energy: 1.0902588823451904
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Energy: 1.172571790687726
Energy: 1.2919992831633254
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Energy: 1.098583934474602
Energy: 1.1981566182349657
Energy: 1.1342288232385982
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Energy: 1.2349912463318191
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Energy: 1.1207985024206093
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Energy: 1.2056889889824427
Energy: 1.1757752824570165
Energy: 1.110380990319654
Energy: 1.1871589135108422
Energy: 1.2365228612656218
Energy: 1.2516498310122648
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Energy: 1.111760605058708
Energy: 1.1056519831190166
Energy: 1.2372732959099553
Energy: 1.154915047019775
Energy: 1.127657229263833
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Energy: 1.267713269551054
Energy: 1.0942218428142816
Energy: 1.130907556895411
Energy: 1.1492443388841138
Energy: 1.147690263835077
Energy: 1.2695163153605242
Energy: 1.093320253772992
Energy: 1.1643241603645829
Energy: 1.1927164722172168
Energy: 1.1413329649787292
Energy: 1.152222234326727
Energy: 1.1558552139226153
Energy: 1.1390528952425611
Energy: 1.1700889477021024
Energy: 1.0947674677772705
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Energy: 1.1737172664386113
Energy: 1.1005856745598426
Energy: 1.118960009074393
Energy: 1.2817836736422894
Energy: 1.2862036537861297
Energy: 1.1698646881070391
Energy: 1.1168756994052786
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Energy: 1.1405935840473989
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Energy: 1.1143761468979672
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Energy: 1.1923734877701855
Energy: 1.2489916167453579
Energy: 1.08794558730448
Energy: 1.1524075795007664
Energy: 1.1366511552759446
Energy: 1.151398358998988
Energy: 1.1345973987104012
Energy: 1.1572123235066247
Energy: 1.192623567631064
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Energy: 1.1404660208027795
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Energy: 1.2894052289454596
Energy: 1.1829122462573713
Energy: 1.144499270557072
Energy: 1.0990059622145059
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Energy: 1.2617757655684594
Energy: 1.243008281728587
Energy: 1.093167695615752
Energy: 1.1891215974128753
Energy: 1.2701882563506846
Energy: 1.1604523755106604
Energy: 1.2731388760020528
Energy: 1.2222811942070473
Energy: 1.26822538894027
Energy: 1.31045585382728
Energy: 1.1334766798588385
Energy: 1.3320748014543713
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Energy: 1.2939343279145736
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Energy: 1.240779456687672
Energy: 1.179086580445524
Energy: 1.282247794487253
Energy: 1.2986178997416085
Energy: 1.1197053945809468
Energy: 1.1822025804242908
Energy: 1.1793740695304578
Energy: 1.2654876884013107
Energy: 1.2079708766008055
Energy: 1.324693979990553
Energy: 1.1208232918896373
Energy: 1.1261761470717242
Energy: 1.252730972426014
Energy: 1.6743959920965399
Energy: 1.2525493779184604
Energy: 1.1193916835600928
Energy: 1.1251881546725242
Energy: 1.2671494679281956
Energy: 1.6793351371838066
Energy: 1.113285287525744
Energy: 1.152923444579311
Energy: 1.1264102078571192
Energy: 1.1553403206655886
Energy: 1.2723347463535235
Energy: 1.1131731308262856
Energy: 1.1228102136745552
Energy: 1.123853030091635
Energy: 1.2176239882185684
Energy: 1.2376823431999475
Energy: 1.1704069966361974
Energy: 1.1524730306415096
Energy: 1.1084377651704977
Energy: 1.119211634069533
Energy: 1.2090131345417874
Energy: 1.1651445386931718
Energy: 1.1506268949538718
Energy: 1.1738209094262844
Energy: 1.119026835086713
Energy: 1.212083729143188
Energy: 1.2525054456667533
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Energy: 1.1539812932228526
Energy: 1.1466609100678746
Energy: 1.107029353478409
Energy: 1.2511717740841999
Energy: 1.155790886144083
Energy: 1.2072587211843886
Energy: 1.2585010276471835
Energy: 1.303731012915565
Energy: 1.1933623387341865
Energy: 1.098890536741145
Energy: 1.1744782900133708
Energy: 1.2011385077308578
Energy: 1.1082400268952024
Energy: 1.1690534189255284
Energy: 1.1363889003222527
Energy: 1.1468539685474017
Energy: 1.2403909702894897
Energy: 1.1812388055653564
Energy: 1.180208309168007
Energy: 1.169508640151265
Energy: 1.157289535800213
Energy: 1.2676032539397621
Energy: 1.1337356091392135
Energy: 1.131130740108831
Energy: 1.1752050958287263
Energy: 1.1294423543162386
Energy: 1.4374078509916173
Energy: 1.1370592645903788
Energy: 1.1204069873338849
Energy: 1.097989043411477
Energy: 1.1355265350583297
Energy: 1.4384410383698794
Energy: 1.2630688986954095
Energy: 1.13086135727976
Energy: 1.1178811216407822
Energy: 1.1387741323034917
Energy: 1.2401837723579117
Energy: 1.09443145590107
Energy: 1.0829180674309051
Energy: 1.0842872948029414
Energy: 1.212353171339528
Energy: 1.2335996158706155
Energy: 1.1403454385943324
Energy: 1.0910436676359014
Energy: 1.1509033105237703
Energy: 1.1660100467907941
Energy: 1.2444221493528185
Energy: 1.2163535354979607
Energy: 1.2921127608250091
Energy: 1.170621769586596
Energy: 1.1183506647645853
Energy: 1.2037274840224554
Energy: 1.1950621383946267
Energy: 1.1703580166726484
Energy: 1.131805563106612
Energy: 1.1110953286891492
Energy: 1.1789979129910837
Energy: 1.189807426776548
Energy: 1.115571863044069
Energy: 1.2131654237427099
Energy: 1.1108780353685712
Energy: 1.19147671132225
Energy: 1.1123270773737424
Energy: 1.2602153754639827
Energy: 1.1902603109140464
Energy: 1.1183030446535167
Energy: 1.3288711287307342
Energy: 1.295027860695399
Energy: 1.1583033064104367
Energy: 1.2895402510341065
Energy: 1.2133204335480234
Energy: 1.262963519222531
Energy: 1.2627154964851481
Energy: 1.2631057541391442
Energy: 1.2640330494486638
Energy: 1.1094555601292115
Energy: 1.0978983406646237
Energy: 1.2687714242699162
Energy: 1.3290843913937294
Energy: 1.2856583786504034
Energy: 1.167728981187825
Energy: 1.0979450872922092
Energy: 1.2646785680082357
Energy: 1.178202320103063
Energy: 1.3065671072090606
Energy: 1.9721416855129366
Energy: 1.3273768458490631
Energy: 1.3211514638734325
Energy: 1.3169841542176715
Energy: 1.1114079175599199
Energy: 1.1144439105708772
Energy: 1.343535134893021
Energy: 1.323783708420087
Energy: 1.3175644867024245
Energy: 1.1393805048132621
Energy: 1.1145308266557226
Energy: 1.1280441554103542
Energy: 1.1578424561234106
Energy: 1.1252471791993561
Energy: 1.1545191853050745
Energy: 1.1222077162662358
Energy: 1.1301129820600049
Energy: 1.0998408789961378
Energy: 1.1252992073500074
Energy: 1.1539485463856232
Energy: 1.1220132160868213
Energy: 1.1220846042887822
Energy: 1.1964910755569045
Energy: 1.1748353871640018
Energy: 1.1244081615134423
Energy: 1.1144976128385315
Energy: 1.1235654217563282
Energy: 1.1203792861760458
Energy: 1.169469894287095
Energy: 1.125006828739648
Energy: 1.1130210431918577
Energy: 1.2303468685908334
Energy: 1.1188972562639283
Energy: 1.1543499949916656
Energy: 1.1937436273521218
Energy: 1.216755440309876
Energy: 1.1684033984677638
Energy: 1.1199696739244343
Energy: 1.114655066086528
Energy: 1.3145332537104955
Energy: 1.2904045574441192
Energy: 1.1129535707952778
Energy: 1.126241907504331
Energy: 1.129484470678514
Energy: 1.2535818351744663
Energy: 1.1013264607585713
Energy: 1.1510450555268548
Energy: 1.106554679761301
Energy: 1.2300138397724525
Energy: 1.2545545521601056
Energy: 1.100943541539516
Energy: 1.123328308979856
Energy: 1.1546209417868676
Energy: 1.1162145017296679
Energy: 1.155665440158624
Energy: 1.1724441772633183
Energy: 1.1593969145885739
Energy: 1.1930367469257015
Energy: 1.1732320448071205
Energy: 1.1504625461789877
Energy: 1.1350061715851056
Energy: 1.1176558763863804
Energy: 1.0975698340348932
Energy: 1.2812956281720824
Energy: 1.2840423346183965
Energy: 1.1606968417696755
Energy: 1.0904949302708131
Energy: 1.209715196153506
Energy: 1.281239054702217
Energy: 1.128675639337795
Energy: 1.134515521851449
Energy: 1.1914876684770703
Energy: 1.1766559582591392
Energy: 1.0883805211416369
Energy: 1.1468276718182198
Energy: 1.0893252588548907
Energy: 1.0823704037355304
Energy: 1.1936831067087792
Energy: 1.1820239303299418
Energy: 1.2551978508610127
Energy: 1.1097570005769197

minimum gb energy = 1.0822869872425032 eV
minimum distance =  2.22132106955957 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.7686219766386446
Energy: 1.073119486798565
Energy: 1.1042007602700716
Energy: 1.2279620632762647
Energy: 1.0720704033599624
Energy: 1.769536006733148
Energy: 1.1711938815577156
Energy: 1.1038980261503681
Energy: 1.2274082055178774
Energy: 1.301820525050272
Energy: 1.090874259822052
Energy: 1.2729812076137466
Energy: 1.3136138940196738
Energy: 1.3067063764751605
Energy: 1.102672267319053
Energy: 1.084504005682264
Energy: 1.2648301258856107
Energy: 1.0737629736964953
Energy: 1.2641260755701809
Energy: 1.1007082871354832
Energy: 1.1900055864108696
Energy: 1.2675769721398609
Energy: 1.1545332211610286
Energy: 1.100349134972657
Energy: 1.2484150779784307
Energy: 1.1915080507363176
Energy: 1.231720929346168
Energy: 1.1536590627014003
Energy: 1.0989685145600783
Energy: 1.249586061651659
Energy: 1.0993818242041387
Energy: 1.1026970553038784
Energy: 1.150688994047236
Energy: 1.1376372020630774
Energy: 1.2092546296943647
Energy: 1.0997985680529254
Energy: 1.1274568544663686
Energy: 1.1500102210882885
Energy: 1.1377931106087595
Energy: 1.2469737486269936
Energy: 1.1372922752859371
Energy: 1.2894774922674432
Energy: 1.1188229692356326
Energy: 1.1310101501325838
Energy: 1.126928182865919
Energy: 1.2153770468078835
Energy: 1.2854853993959026
Energy: 1.0966569330441314
Energy: 1.1324598479748547
Energy: 1.213726163196693
Energy: 1.1159025267372966
Energy: 1.1002662160483232
Energy: 1.2172053942569026
Energy: 1.3083881724746593
Energy: 1.2096506916653502
Energy: 1.11033038074554
Energy: 1.1006267820374942
Energy: 1.1715407725394926
Energy: 1.2517907604685636
Energy: 1.2116931205056962
Energy: 1.2411469982359276
Energy: 1.1949462906612784
Energy: 1.1933327584589968
Energy: 1.0996746875142127
Energy: 1.1577706086202821
Energy: 1.2374364402715903
Energy: 1.1935843809472189
Energy: 1.1978192676156312
Energy: 1.1030965689986858
Energy: 1.1577972488985264
Energy: 1.2302571175595383
Energy: 1.0827594745204139
Energy: 1.1015085104371547
Energy: 1.101452370226378
Energy: 1.2646742025335513
Energy: 1.2314494817163122
Energy: 1.0807046012036028
Energy: 1.1012657405416206
Energy: 1.2636852688464637
Energy: 1.2661827995178068
Energy: 1.1217806244553468
Energy: 1.3097993516755604
Energy: 1.2205235609899758
Energy: 1.0867859315169768
Energy: 1.0989959028557108
Energy: 1.1209614666905567
Energy: 1.264340809030655
Energy: 1.2701107855170526
Energy: 1.2584675447054683
Energy: 1.0986711798381685
Energy: 1.084271008506221
Energy: 1.09667180389385
Energy: 1.1021492114850375
Energy: 1.0707464005850957
Energy: 1.1559814798682946
Energy: 1.0797919304423238
Energy: 1.123639180131502
Energy: 1.1018705741425106
Energy: 1.0708464195398337
Energy: 1.1551892377988244
Energy: 1.0821333333287138
Energy: 1.0833871773757242
Energy: 1.1383262185632665
Energy: 1.2116383616922974
Energy: 1.0731703418801275
Energy: 1.0816213954781049
Energy: 1.0832578319842514
Energy: 1.1401390367668776
Energy: 1.2124821062919888
Energy: 1.101097090178634
Energy: 1.083420854337993
Energy: 1.0812553519278882
Energy: 1.0866870235366923
Energy: 1.3199828317575582
Energy: 1.155771314499052
Energy: 1.0847251964497018
Energy: 1.083307509300299
Energy: 1.1047267878324207
Energy: 1.3219108197187854
Energy: 1.1036838943024114
Energy: 1.0828859975666087
Energy: 1.0820522731979947
Energy: 1.2622559770383337
Energy: 1.2607942489251343
Energy: 1.1403628328824376
Energy: 1.0821867752600607
Energy: 1.1003961752540257
Energy: 1.2589664107956702
Energy: 1.2605546624570083
Energy: 1.140224705667849
Energy: 1.0678612309627629
Energy: 1.14201029535931
Energy: 1.2745753773441713
Energy: 1.1011251526802914
Energy: 1.0735980896952473
Energy: 1.3037246050667892
Energy: 1.2272251435760204
Energy: 1.2991167480161525
Energy: 1.106416723316914
Energy: 1.1092824063664264

minimum gb energy = 1.0678612309627629 eV
minimum distance =  2.30857246300299 Angstroms
sigma value = 33