Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.290337405585513
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013214630481770009
Energy: 0.013711354006786405
Energy: 3.1947763459749536
Energy: 0.013711354006786405
Energy: 0.013711354006786405
Energy: 0.013900018282628867
Energy: 0.5578117464301228
Energy: 0.013900018282628867
Energy: 3.1947763459749536
Energy: 0.5578117464301228
Energy: 0.5576781086677527
Energy: 0.5578117464301228
Energy: 0.013711354006786405
Energy: 0.013900018282628867
Energy: 0.5578117464301228
Energy: 0.013900018282628867

minimum gb energy = 0.013214630481770009 eV
minimum distance =  2.47519485088323 Angstroms
sigma value = 1


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

Energy: 1.450312331655159
Energy: 1.2382536338643835
Energy: 2.5253268902560957
Energy: 1.2382536338631713
Energy: 1.4417119526699198
Energy: 0.8944246570412966
Energy: 0.9399936759423874
Energy: 0.8944246570425088
Energy: 1.6634571554749706
Energy: 0.9386131600193434
Energy: 0.9167089705603481
Energy: 0.9386131600193434
Energy: 1.2542104596995676
Energy: 0.8962245615982334
Energy: 0.9392065928842215
Energy: 0.8962245615982334
Energy: 1.250670103606698
Energy: 0.8963179748548532
Energy: 1.3043969900008128
Energy: 0.8963179748536408
Energy: 1.4562545873992019
Energy: 0.9012395302959504
Energy: 0.901159619629701
Energy: 0.9012395302959504
Energy: 1.083781823254873
Energy: 0.9014888990427172
Energy: 0.9013019387483175
Energy: 0.9014888990439294
Energy: 0.8973507901722693
Energy: 0.8982745271989047
Energy: 1.295884065018043
Energy: 0.8982745271989047
Energy: 1.0936584614119156
Energy: 0.8986944623723686
Energy: 1.2563753854209858
Energy: 0.8986944623735809
Energy: 1.5083345258871068
Energy: 0.901347945374759
Energy: 1.0908978226866584
Energy: 0.9013479453759713
Energy: 0.9151025839337681
Energy: 0.9612968899303064
Energy: 1.1752093553806249
Energy: 0.9612968899303064
Energy: 0.9154666769288716
Energy: 0.9149773634804458
Energy: 1.900240532757196
Energy: 0.9149773634816578
Energy: 1.1042735959434415
Energy: 0.9610634528555508
Energy: 1.2546204843577005
Energy: 0.9610634528555508
Energy: 0.9356026201939958
Energy: 0.962401174973855
Energy: 1.2537527056876336
Energy: 0.9624011749726429
Energy: 0.935718010621778
Energy: 0.8990703932223899
Energy: 1.4440464089149319
Energy: 0.8990703932211778
Energy: 0.9356672796264939
Energy: 0.8991572816803122
Energy: 1.4443007429397106
Energy: 0.8991572816803122
Energy: 0.9368099261476551
Energy: 0.9626955407999555
Energy: 1.2536613980817113
Energy: 0.9626955407999555
Energy: 1.1043268723425508
Energy: 0.9610942977479521
Energy: 1.2536145956724671
Energy: 0.9610942977515887
Energy: 0.9189006319723982
Energy: 0.9149247982535188
Energy: 1.95677031289361
Energy: 0.914924798254731
Energy: 0.9151177886516492
Energy: 0.9611738422393783
Energy: 1.0878230101364832
Energy: 0.9611738422405904
Energy: 1.5070436455511202
Energy: 0.9016930130483338
Energy: 1.0905881850527996
Energy: 0.9016930130483338
Energy: 1.0928621715601798
Energy: 0.8964678856987992
Energy: 1.2562632433093697
Energy: 0.8964678856987992
Energy: 0.9963666178073564
Energy: 0.8983948928343504
Energy: 1.0981612619186853
Energy: 0.8983948928355626
Energy: 1.2712542568486132
Energy: 0.9014041381423719
Energy: 0.9012967220873155
Energy: 0.9014041381423719
Energy: 1.4560058646310117
Energy: 0.9012746084669339
Energy: 0.9011174048032533
Energy: 0.9012746084669339
Energy: 1.250606133896283
Energy: 0.8966962186169032
Energy: 1.3044270522546053
Energy: 0.8966962186181154
Energy: 1.2515299364726362
Energy: 0.896389356509911
Energy: 0.9388527354321949
Energy: 0.8963893565086989
Energy: 1.6640902530417667
Energy: 0.9386092660626403
Energy: 0.9172113934562731
Energy: 0.9386092660626403
Energy: 1.4420099326259375
Energy: 0.8943720860407565
Energy: 0.9398997810586813
Energy: 0.8943720860419687
Energy: 1.2650016674975173
Energy: 0.9003291656286276
Energy: 0.9385735579919079
Energy: 0.9003291656286276
Energy: 1.443190140484755
Energy: 0.8942003103954442
Energy: 0.9385175311558367
Energy: 0.8942003103954442
Energy: 1.4553761247366954
Energy: 0.912893574602448
Energy: 0.9171988831467752
Energy: 0.912893574602448
Energy: 1.250628746187051
Energy: 0.8964700553375664
Energy: 0.9799488477785788
Energy: 0.8964700553363543

minimum gb energy = 0.8942003103954442 eV
minimum distance =  2.34167722427909 Angstroms
sigma value = 1


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

Energy: 1.5831269701898092
Energy: 1.5054392456003063
Energy: 2.5967840015004
Energy: 1.5054392456003063
Energy: 1.3242915010329792
Energy: 0.9251387723193064
Energy: 1.0317239195703118
Energy: 0.9251387723193064
Energy: 1.35127494498624
Energy: 0.9682839388998126
Energy: 0.9683266309018137
Energy: 0.9682839388984306
Energy: 0.9229833522886286
Energy: 0.9476451981574529
Energy: 1.027318247503349
Energy: 0.9476451981574529
Energy: 0.922987322099326
Energy: 0.9494538346492933
Energy: 1.4353337353557438
Energy: 0.9494538346492933
Energy: 1.3512231012033564
Energy: 0.9472548694951426
Energy: 0.9473640966447373
Energy: 0.9472548694951426
Energy: 0.9705310827528101
Energy: 0.9958256290948303
Energy: 0.9473651037659431
Energy: 0.9958256290948303
Energy: 0.9474584414951946
Energy: 0.9470639127644416
Energy: 1.435160043579556
Energy: 0.9470639127644416
Energy: 0.9687093589336311
Energy: 0.9231772886033106
Energy: 1.3538056279306512
Energy: 0.9231772886033106
Energy: 1.0275388600273931
Energy: 0.9225330598437752
Energy: 0.9230628450286822
Energy: 0.9225330598437752
Energy: 0.948505316411439
Energy: 1.1133042900509729
Energy: 1.3547248504216896
Energy: 1.1133042900509729
Energy: 0.9479580476589838
Energy: 0.9475413140580222
Energy: 1.817279673103548
Energy: 0.9475413140580222
Energy: 1.0273551113750756
Energy: 0.9235002012820752
Energy: 1.3225448522740078
Energy: 0.9235002012834573
Energy: 1.0273551113736938
Energy: 0.9235490705746079
Energy: 1.322514131887248
Energy: 0.9235490705746079
Energy: 0.9481093805969552
Energy: 0.9475761859917755
Energy: 1.816089037408224
Energy: 0.9475761859917755
Energy: 0.9486431363607062
Energy: 1.1132911321339969
Energy: 1.3544226033672626
Energy: 1.1132911321339969
Energy: 1.0275388600273931
Energy: 0.9225136493908818
Energy: 0.9230696047433363
Energy: 0.9225136493908818
Energy: 0.968816025923084
Energy: 0.9231545356035642
Energy: 1.353760671780624
Energy: 0.9231545356035642
Energy: 0.9474638478558196
Energy: 0.947052067221701
Energy: 1.4351600435781737
Energy: 0.947052067221701
Energy: 0.9706090452115445
Energy: 0.9959216082059462
Energy: 0.947357463048194
Energy: 0.9959216082059462
Energy: 1.3512265172963362
Energy: 0.947244270680041
Energy: 0.9473600805313402
Energy: 0.947244270680041
Energy: 0.9229917048849648
Energy: 0.9485288210068079
Energy: 1.4353337353529794
Energy: 0.9485288210068079
Energy: 0.9230338714681162
Energy: 0.9474736324528218
Energy: 1.027318247504731
Energy: 0.9474736324542038
Energy: 1.351373399421709
Energy: 0.9682580494635213
Energy: 0.9683021210239986
Energy: 0.9682580494635213
Energy: 1.324298938460079
Energy: 0.9250797744391931
Energy: 1.0317239195703118
Energy: 0.9250797744378109
Energy: 1.5831269701898092
Energy: 1.5054392456003063
Energy: 2.5967840015017827
Energy: 1.5054392456003063
Energy: 1.3242915010329792
Energy: 0.9251387723193064
Energy: 1.0317239195703118
Energy: 0.9251387723193064
Energy: 1.35127494498624
Energy: 0.9682839388984306
Energy: 0.9683266309018137
Energy: 0.9682839388984306
Energy: 0.9229833522886286
Energy: 0.9476451981574529
Energy: 1.027318247503349
Energy: 0.9476451981574529

minimum gb energy = 0.9225136493908818 eV
minimum distance =  2.33305669985067 Angstroms
sigma value = 25


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

Energy: 1.3588932551433421
Energy: 1.1140022351463477
Energy: 2.5509831362257476
Energy: 1.1140022351463477
Energy: 1.4453964425510686
Energy: 0.997965884663302
Energy: 1.0735174599484831
Energy: 0.997965884663302
Energy: 1.4620155263920667
Energy: 1.0266654738520773
Energy: 1.0344909188373101
Energy: 1.026665473853684
Energy: 1.2568211293044962
Energy: 0.9911845746850143
Energy: 1.0734185371425768
Energy: 0.9911845746866211
Energy: 1.2558139698810782
Energy: 0.990925016295705
Energy: 1.2652982610555912
Energy: 0.990925016295705
Energy: 1.4602837866529126
Energy: 0.9973021342974349
Energy: 0.997413931323404
Energy: 0.9973021342974349
Energy: 1.0250645287927036
Energy: 0.9907765250993279
Energy: 0.9974396820809934
Energy: 0.9907765250993279
Energy: 1.0003323589800308
Energy: 1.0241133798988822
Energy: 1.538607908948121
Energy: 1.0241133799004887
Energy: 1.0751687227871525
Energy: 1.0792083428367716
Energy: 1.247610952723588
Energy: 1.0792083428367716
Energy: 1.069361439176427
Energy: 0.9851845846911901
Energy: 1.2472327084194534
Energy: 0.9851845846911901
Energy: 1.088922737229449
Energy: 0.9907435941405649
Energy: 1.4493668087102927
Energy: 0.9907435941405649
Energy: 1.055735131758138
Energy: 1.0246359063357915
Energy: 1.4485114291779313
Energy: 1.024635906337398
Energy: 1.0888262305656113
Energy: 0.9852048790014941
Energy: 1.2475155618595495
Energy: 0.9852048790014941
Energy: 1.0758704712806688
Energy: 1.0794519298092282
Energy: 1.2475534342202512
Energy: 1.0794519298092282
Energy: 1.0244739987651825
Energy: 1.024024965707805
Energy: 1.8050935723711634
Energy: 1.0240249657061982
Energy: 1.024540065619328
Energy: 0.990728965275687
Energy: 0.9974217648136707
Energy: 0.990728965275687
Energy: 1.7819804315243832
Energy: 0.9972420849983887
Energy: 0.9974329986925214
Energy: 0.9972420849983887
Energy: 1.2557417894811733
Energy: 0.9907031654042399
Energy: 1.2656062943072084
Energy: 0.9907031654042399
Energy: 1.2556332699498525
Energy: 0.9909762221061761
Energy: 1.073478854012844
Energy: 0.9909762221061761
Energy: 1.2362065795718462
Energy: 0.9975843073781399
Energy: 1.027287478808256
Energy: 0.9975843073781399
Energy: 1.4473899584099914
Energy: 0.9981969860178623
Energy: 1.0348825122558984
Energy: 0.9981969860178623
Energy: 1.2588857382017704
Energy: 0.9851528925128867
Energy: 1.073415681328379
Energy: 0.9851528925128867
Energy: 1.4474164020776417
Energy: 1.0723010794079595
Energy: 1.0732258505983714
Energy: 1.0723010794079595
Energy: 1.6119987772856035
Energy: 1.0340744767765968
Energy: 1.0344672018330816
Energy: 1.0340744767765968
Energy: 1.2561349258949277
Energy: 0.9908241850039976
Energy: 1.0181252736154844
Energy: 0.9908241850039976

minimum gb energy = 0.9851528925128867 eV
minimum distance =  2.34538669818972 Angstroms
sigma value = 9


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

Energy: 1.0055985840016497
Energy: 1.0035942455207323
Energy: 2.6722427409922367
Energy: 1.003594245520536
Energy: 1.0055593815104644
Energy: 1.0470033866518158
Energy: 1.0474124120651351
Energy: 1.0470033866520119
Energy: 1.0967942117989835
Energy: 1.0968577952020062
Energy: 1.097040799512362
Energy: 1.0968577952020062
Energy: 1.0464939153527355
Energy: 1.0468945589402774
Energy: 1.04782636273002
Energy: 1.0468945589402774
Energy: 1.0475790965586202
Energy: 1.0472795121196445
Energy: 1.0967734433301453
Energy: 1.047279512120211
Energy: 1.795151097281522
Energy: 1.047275854047755
Energy: 1.046574185107813
Energy: 1.047275854047951
Energy: 1.048425190323973
Energy: 1.0470533811192577
Energy: 1.0475617291367225
Energy: 1.0470533811192577
Energy: 1.047505666204759
Energy: 1.0480507843190072
Energy: 1.5913426279746408
Energy: 1.0480507843190072
Energy: 1.2371607257579067
Energy: 1.0474406528685822
Energy: 1.0053097544097573
Energy: 1.0474406528687565
Energy: 1.2377653697144857
Energy: 1.0046064345067227
Energy: 1.0053870430848082
Energy: 1.0046064345067227
Energy: 1.0476353755909347
Energy: 1.1449674836735872
Energy: 1.591826904882711
Energy: 1.144967483673391
Energy: 1.1343284796063609
Energy: 1.0045022486803823
Energy: 1.0967843464092524
Energy: 1.0045022486801864
Energy: 1.2370864952773157
Energy: 1.0465931065788232
Energy: 1.046699095811403
Energy: 1.0465931065784313
Energy: 1.09681446485618
Energy: 1.0995552236282122
Energy: 1.0967537547841424
Energy: 1.0995552236285826
Energy: 1.0467051815891053
Energy: 1.046619048460467
Energy: 1.2370864952771197
Energy: 1.046619048460467
Energy: 1.0967910899808395
Energy: 1.004716984268627
Energy: 1.134304593889374
Energy: 1.004716984268627
Energy: 1.5917806420895055
Energy: 1.144952244589146
Energy: 1.0477061763933877
Energy: 1.144952244589146
Energy: 1.0053663565025188
Energy: 1.004577866507392
Energy: 1.237765369715074
Energy: 1.004577866507392
Energy: 1.0053120332890984
Energy: 1.0474348139351988
Energy: 1.2371607257584947
Energy: 1.0474348139351988
Energy: 1.5913184078276588
Energy: 1.0479764491228833
Energy: 1.0474862276030354
Energy: 1.0479764491228833
Energy: 1.0475282082613553
Energy: 1.0473121934452794
Energy: 1.0482702118956782
Energy: 1.0473121934454537

minimum gb energy = 1.003594245520536 eV
minimum distance =  2.32236327953188 Angstroms
sigma value = 25


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

Energy: 1.1537904492751703
Energy: 1.1037976035273314
Energy: 2.489917174089957
Energy: 1.1037976035273314
Energy: 1.428793244835771
Energy: 1.1989424167702807
Energy: 1.1616173249953035
Energy: 1.1989424167700382
Energy: 1.285614945911179
Energy: 1.1502241056947902
Energy: 1.1621649213395369
Energy: 1.150224105694548
Energy: 1.111725752386953
Energy: 1.1936098821428094
Energy: 1.131536962511821
Energy: 1.1936098821423513
Energy: 1.1954650333964771
Energy: 1.1984832749178669
Energy: 1.4705298848046697
Energy: 1.1984832749178669
Energy: 1.5381750251950723
Energy: 1.1476749925176408
Energy: 1.148059482655245
Energy: 1.1476749925176408
Energy: 1.2447909754893645
Energy: 1.1946122187708819
Energy: 1.1481188252607346
Energy: 1.1946122187706665
Energy: 1.1948581480910796
Energy: 1.223545508553104
Energy: 1.4714912558192517
Energy: 1.2235455085526192
Energy: 1.2236143485954538
Energy: 1.1478157163828697
Energy: 1.1480928391923673
Energy: 1.1478157163824116
Energy: 1.2717252400704797
Energy: 1.1481714517572028
Energy: 1.1481976222569898
Energy: 1.14817145175626
Energy: 1.1931795986296638
Energy: 1.1937516187702668
Energy: 1.5020651648177856
Energy: 1.1937516187705093
Energy: 1.1931201523754247
Energy: 1.1485895242900308
Energy: 1.1324517984547557
Energy: 1.1485895242900308
Energy: 1.415315758473741
Energy: 1.1500388828310915
Energy: 1.1514852611006412
Energy: 1.1500388828313068
Energy: 1.4456123364903324
Energy: 1.1985328381171816
Energy: 1.2907600608662082
Energy: 1.1985328381171816
Energy: 1.3131797246338517
Energy: 1.089168069683917
Energy: 1.2903033991835815
Energy: 1.089168069684402
Energy: 1.4286182744363838
Energy: 1.138439687284507
Energy: 1.131578204155834
Energy: 1.138439687284507
Energy: 1.1942022012522615
Energy: 1.1483114332542315
Energy: 1.151027998509263
Energy: 1.1483114332542315

minimum gb energy = 1.089168069683917 eV
minimum distance =  2.30288151092159 Angstroms
sigma value = 17


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

Energy: 1.5732873404712715
Energy: 1.514534255125739
Energy: 2.370975666068663
Energy: 1.5145342551243963
Energy: 1.3729170119036573
Energy: 1.2278413913682134
Energy: 1.2689251337041456
Energy: 1.2278413913682134
Energy: 1.3840906799522412
Energy: 1.2161451187484615
Energy: 1.19351954418015
Energy: 1.2161451187498038
Energy: 1.1898839671503212
Energy: 1.1879394590889811
Energy: 1.237014887276441
Energy: 1.1879394590889811
Energy: 1.224189923089883
Energy: 1.2279585963151098
Energy: 1.418777594151759
Energy: 1.2279585963151098
Energy: 1.4145371144908208
Energy: 1.1669625216277086
Energy: 1.2153615558682733
Energy: 1.1669625216277086
Energy: 1.3103498043635629
Energy: 1.1892649086230185
Energy: 1.3764373125659626
Energy: 1.1892649086230185
Energy: 1.218551389755355
Energy: 1.1873764937898355
Energy: 1.464800538122629
Energy: 1.1873764937898355
Energy: 1.2000765453150297
Energy: 1.2342657457359438
Energy: 1.172948972814541
Energy: 1.2342657457359438
Energy: 1.4317822193924556
Energy: 1.1696790822387488
Energy: 1.2356841692987395
Energy: 1.1696790822374064
Energy: 1.2171908692737092
Energy: 1.2169027969919317
Energy: 1.4352171738340938
Energy: 1.2169027969919317
Energy: 1.216673208323238
Energy: 1.234743319576621
Energy: 1.2615919137716494
Energy: 1.234743319576621
Energy: 1.3948183583824285
Energy: 1.2449441768201632
Energy: 1.2634171088071786
Energy: 1.2449441768188205
Energy: 1.2162340804596166
Energy: 1.2169853493589375
Energy: 1.247144671291773
Energy: 1.2169853493575953
Energy: 1.217294814137023
Energy: 1.183947282644233
Energy: 1.4458764407885538
Energy: 1.183947282644233
Energy: 1.4412134821698395
Energy: 1.234380511881555
Energy: 1.1736829567828204
Energy: 1.2343805118828974
Energy: 1.2202918094417252
Energy: 1.2722298930571918
Energy: 1.2343805532572543
Energy: 1.2722298930585343
Energy: 1.2002748227399247
Energy: 1.2574323956691236
Energy: 1.3943224188565597
Energy: 1.257432395670466
Energy: 1.2987696892783467
Energy: 1.1680309807412548
Energy: 1.3659937122364665
Energy: 1.1680309807412548
Energy: 1.4101442861711966
Energy: 1.1682374570080922
Energy: 1.3660986970431837
Energy: 1.1682374570094347
Energy: 1.18698143397172
Energy: 1.2654986392338141
Energy: 1.4367763397188245
Energy: 1.2654986392324716
Energy: 1.1870024962407717
Energy: 1.2777634982390162
Energy: 1.2155156122781379
Energy: 1.2777634982390162
Energy: 1.4038288959141012
Energy: 1.215959197135991
Energy: 1.1976793038191
Energy: 1.215959197135991
Energy: 1.3642653274099839
Energy: 1.1742043891028544
Energy: 1.3118627270265801
Energy: 1.1742043891028544
Energy: 1.3643784724015025
Energy: 1.1730954377251053
Energy: 1.3802782916020024
Energy: 1.1730954377251053
Energy: 1.4116276917478712
Energy: 1.2143325855095606
Energy: 1.2156506059693126
Energy: 1.2143325855095606
Energy: 1.1829884786066658
Energy: 1.2346520040534839
Energy: 1.1976151667679704
Energy: 1.2346520040534839
Energy: 1.187520598187518
Energy: 1.1877332320585163
Energy: 1.4428325971146256
Energy: 1.1877332320585163
Energy: 1.3771791989072706
Energy: 1.1677949450183913
Energy: 1.367646895940572
Energy: 1.1677949450183913
Energy: 1.2615385261285805
Energy: 1.1673706548255518
Energy: 1.2136598475551386
Energy: 1.1673706548255518

minimum gb energy = 1.1669625216277086 eV
minimum distance =  2.30743642252945 Angstroms
sigma value = 53


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

Energy: 1.1986295956046271
Energy: 1.2033640520282511
Energy: 2.515869875503426
Energy: 1.2033640520282511
Energy: 1.2781429132428221
Energy: 1.2007400739426204
Energy: 1.1985369471200014
Energy: 1.2007400739426204
Energy: 1.6535690856695902
Energy: 1.297398924195856
Energy: 1.3054597762496407
Energy: 1.297398924195856
Energy: 1.3054467046015383
Energy: 1.2973721878393976
Energy: 1.6532141822740891
Energy: 1.2973721878393976
Energy: 1.1985609856987878
Energy: 1.2006913968471145
Energy: 1.2781416425264995
Energy: 1.2006913968477115
Energy: 2.5158698755040585
Energy: 1.2033640520285669
Energy: 1.1986295956046271
Energy: 1.2033640520282511
Energy: 1.198536947120317
Energy: 1.2007400739429366
Energy: 1.2781429132428221
Energy: 1.2007400739429366
Energy: 1.3054597762496407
Energy: 1.297398924195856
Energy: 1.6535690856692742
Energy: 1.297398924195856
Energy: 1.6532141822774606
Energy: 1.2973721878393976
Energy: 1.3054467046003093
Energy: 1.2973721878397138
Energy: 1.2781416425264995
Energy: 1.2006913968477115
Energy: 1.1985609856987878
Energy: 1.2006913968477115
Energy: 1.1986295956046271
Energy: 1.2033640520285669
Energy: 2.5158698755043747
Energy: 1.2033640520285669
Energy: 1.2781429132428221
Energy: 1.2007400739423044
Energy: 1.1985369471200014
Energy: 1.2007400739423044
Energy: 1.653569085667413
Energy: 1.297398924195856
Energy: 1.3054597762496407
Energy: 1.297398924195856

minimum gb energy = 1.1985369471200014 eV
minimum distance =  2.31246472013199 Angstroms
sigma value = 9


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

Energy: 1.4017592185708871
Energy: 1.291223608976272
Energy: 2.2607735004588525
Energy: 1.2912236089751283
Energy: 1.552797765169861
Energy: 1.2810231736272553
Energy: 1.3924393099798824
Energy: 1.2810231736261113
Energy: 1.3265527706054963
Energy: 1.256104523859472
Energy: 1.2556747340145884
Energy: 1.2561045238606157
Energy: 1.2643745747593451
Energy: 1.2794513699931092
Energy: 1.3684563206172948
Energy: 1.2794513699931092
Energy: 1.3188212189107684
Energy: 1.242925578374446
Energy: 1.557212073416537
Energy: 1.242925578374446
Energy: 1.5214620491005475
Energy: 1.3503863539888534
Energy: 1.399610240823377
Energy: 1.3503863539877097
Energy: 1.3813802236581545
Energy: 1.3295953994293086
Energy: 1.579009181828863
Energy: 1.3295953994281648
Energy: 1.2422761950649566
Energy: 1.2904309786109511
Energy: 1.3280174321867977
Energy: 1.2904309786098072
Energy: 1.3345253351339288
Energy: 1.2568547259054597
Energy: 1.2888301166936187
Energy: 1.2568547259066034
Energy: 1.4059190032917648
Energy: 1.2566222452635412
Energy: 1.3499074020937942
Energy: 1.2566222452635412
Energy: 1.269521338565758
Energy: 1.3590778628057762
Energy: 1.5490482088241153
Energy: 1.35907786280692
Energy: 1.5958720464114198
Energy: 1.2923964510141273
Energy: 1.3300202227300206
Energy: 1.2923964510152712
Energy: 1.3149024966876102
Energy: 1.2741885137062574
Energy: 1.2750102106714682
Energy: 1.2741885137062574
Energy: 1.3170227417108085
Energy: 1.2804553771971026
Energy: 1.424209418431423
Energy: 1.2804553771959588
Energy: 1.3217040475731183
Energy: 1.2903974146849
Energy: 1.273711531407589
Energy: 1.2903974146849
Energy: 1.5531079797686442
Energy: 1.2739675187849706
Energy: 1.2771805437838755
Energy: 1.2739675187849706
Energy: 1.4389549871138647
Energy: 1.2740982664455334
Energy: 1.617954372222885
Energy: 1.2740982664443896
Energy: 1.2730145145664682
Energy: 1.3582457440756424
Energy: 1.3455498470322835
Energy: 1.3582457440756424
Energy: 1.5878636436935423
Energy: 1.3609306543248705
Energy: 1.3095666103643047
Energy: 1.3609306543248705
Energy: 1.2891702990382512
Energy: 1.2739264769968934
Energy: 1.291401288221584
Energy: 1.2739264769968934
Energy: 1.2418269227662575
Energy: 1.2899485441043392
Energy: 1.311743489153725
Energy: 1.2899485441043392
Energy: 1.5306186843929248
Energy: 1.242614598368637
Energy: 1.3974853003787602
Energy: 1.2426145983674932
Energy: 1.415989154553829
Energy: 1.3471447254317244
Energy: 1.3977982688627164
Energy: 1.3471447254328681
Energy: 1.338825879885645
Energy: 1.3588255459590106
Energy: 1.4823491292531021
Energy: 1.3588255459590106
Energy: 1.2629760808239818
Energy: 1.2900482543151648
Energy: 1.2555627117661852
Energy: 1.2900482543163085
Energy: 1.4943957908095806
Energy: 1.3162468719569158
Energy: 1.2558512306770555
Energy: 1.3162468719569158
Energy: 1.5794671729615068
Energy: 1.2386824858806882
Energy: 1.5632747346881435
Energy: 1.2386824858818322
Energy: 1.4012046950187955
Energy: 1.238828096714818
Energy: 1.562427082130653
Energy: 1.238828096714818
Energy: 1.4784012027163087
Energy: 1.3166531348383155
Energy: 1.3029519330604495
Energy: 1.3166531348383155
Energy: 1.2628749827416677
Energy: 1.2899096227903402
Energy: 1.2554519080802455
Energy: 1.2899096227903402
Energy: 1.314865526225717
Energy: 1.3563883616147134
Energy: 1.479363461434656
Energy: 1.3563883616147134
Energy: 1.4161465001922895
Energy: 1.2426294095907933
Energy: 1.400251132159303
Energy: 1.2426294095896495
Energy: 1.6240205820443996
Energy: 1.2424465382834502
Energy: 1.4035756183128338
Energy: 1.2424465382823062
Energy: 1.2421714109463036
Energy: 1.2902296744154
Energy: 1.570618458509397
Energy: 1.2902296744142563
Energy: 1.2645675227141828
Energy: 1.2736913850206466
Energy: 1.2842881238980626
Energy: 1.2736913850195029

minimum gb energy = 1.2386824858806882 eV
minimum distance =  2.27087172878452 Angstroms
sigma value = 73


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

Energy: 1.4523363411930699
Energy: 1.3580225129996877
Energy: 2.3222741299535072
Energy: 1.3580225129996877
Energy: 1.472009652916804
Energy: 1.299537033034857
Energy: 1.405391619350417
Energy: 1.2995370330346714
Energy: 1.351353978286051
Energy: 1.3209189350238977
Energy: 1.2303058088674994
Energy: 1.320918935024083
Energy: 1.2777364430347338
Energy: 1.2624970995638645
Energy: 1.31877920021753
Energy: 1.262497099564215
Energy: 1.4298931754574526
Energy: 1.2624685838245606
Energy: 1.4637761673741077
Energy: 1.2624685838247462
Energy: 1.6703106982833498
Energy: 1.3798522851244204
Energy: 1.2464017800295837
Energy: 1.3798522851247916
Energy: 1.3182523794769847
Energy: 1.3041842442331602
Energy: 1.5055326704352965
Energy: 1.3041842442331602
Energy: 1.2637635984290527
Energy: 1.2627778118478532
Energy: 1.3617368303565178
Energy: 1.2627778118478532
Energy: 1.5308939763517926
Energy: 1.3208688521290364
Energy: 1.3536203176229529
Energy: 1.3208688521283147
Energy: 1.2625725081344834
Energy: 1.3209631382403062
Energy: 1.3545594755408987
Energy: 1.3209631382406568
Energy: 1.2624107757085576
Energy: 1.2628863010911318
Energy: 1.645915818783472
Energy: 1.262886301091297
Energy: 1.5648035507280158
Energy: 1.2626055765206399
Energy: 1.482214499937777
Energy: 1.2626055765199182
Energy: 1.4277486877207337
Energy: 1.2623904392482044
Energy: 1.2445512710797533
Energy: 1.2623904392478331
Energy: 1.315529403524706
Energy: 1.4237209910051403
Energy: 1.5254511242584188
Energy: 1.4237209910055117
Energy: 1.2776255910181942
Energy: 1.2623082109220962
Energy: 1.3200703247654224
Energy: 1.2623082109219108
Energy: 1.410086186407149
Energy: 1.3209650671642514
Energy: 1.2306104774152533
Energy: 1.3209650671642514
Energy: 1.4369557995614153
Energy: 1.2444601483306743
Energy: 1.6530735376915597
Energy: 1.2444601483310453
Energy: 1.4368894725762966
Energy: 1.2447981298509456
Energy: 1.6507530901401315
Energy: 1.2447981298509456
Energy: 1.59632232540373
Energy: 1.3211241269983052
Energy: 1.3195077717020456
Energy: 1.321124126997748
Energy: 1.2772952518863585
Energy: 1.2626146074984768
Energy: 1.230391072890138
Energy: 1.2626146074984768
Energy: 1.3521177895254206
Energy: 1.3860274725337611
Energy: 1.5278600564882534
Energy: 1.3860274725330395
Energy: 1.4277122890471605
Energy: 1.2625778542992405
Energy: 1.2446423912507596
Energy: 1.2625778542988693

minimum gb energy = 1.2303058088674994 eV
minimum distance =  2.26916014863289 Angstroms
sigma value = 7


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

Energy: 1.58486214267537
Energy: 1.3866992884221485
Energy: 2.3123678012053412
Energy: 1.3866992884221485
Energy: 1.5198034995106722
Energy: 1.308011545922534
Energy: 1.3171039291790456
Energy: 1.308011545922534
Energy: 1.2995731519682134
Energy: 1.284389147025896
Energy: 1.283991891482726
Energy: 1.284389147025896
Energy: 1.3047306325714993
Energy: 1.237492114594175
Energy: 1.284702901153449
Energy: 1.237492114594175
Energy: 1.3944972968150138
Energy: 1.2844016149658148
Energy: 1.2368187722662538
Energy: 1.284401614967098
Energy: 1.8130756593178448
Energy: 1.2373861389354193
Energy: 1.2385752827428846
Energy: 1.2373861389354193
Energy: 1.274924097145952
Energy: 1.315731884000042
Energy: 1.5864923064274374
Energy: 1.315731884000042
Energy: 1.2384761539513858
Energy: 1.2383758172165709
Energy: 1.3868152654885948
Energy: 1.2383758172165709
Energy: 1.6232957662633625
Energy: 1.2843300800388786
Energy: 1.3181851854500062
Energy: 1.2843300800388786
Energy: 1.282955766189056
Energy: 1.2378451577146166
Energy: 1.3052238841773307
Energy: 1.2378451577133334
Energy: 1.2830547833817576
Energy: 1.2847774688175744
Energy: 1.3846791079868999
Energy: 1.2847774688162912
Energy: 1.725427608066207
Energy: 1.2375433988531634
Energy: 1.499072593067245
Energy: 1.2375433988544469
Energy: 1.7221211739364535
Energy: 1.237832870200637
Energy: 1.5034373672037453
Energy: 1.237832870200637
Energy: 1.2847543195854723
Energy: 1.2851086846158355
Energy: 1.6520515316112276
Energy: 1.2851086846158355
Energy: 1.283296408656184
Energy: 1.2382423808401088
Energy: 1.2992864407199916
Energy: 1.2382423808401088
Energy: 1.622143365566921
Energy: 1.3855878128316605
Energy: 1.3157112137418512
Energy: 1.3855878128316605
Energy: 1.236524292897408
Energy: 1.2374860410669561
Energy: 1.3869920730018614
Energy: 1.2374860410669561
Energy: 1.2370439277295604
Energy: 1.2847196962073355
Energy: 1.6135122251487657
Energy: 1.2847196962073355
Energy: 1.8300006118743115
Energy: 1.2374976694923019
Energy: 1.2366055716113906
Energy: 1.2374976694923019
Energy: 1.387850363600959
Energy: 1.284188563630103
Energy: 1.2367175414931395
Energy: 1.2841885636288195
Energy: 1.2994210861544355
Energy: 1.3156031058630866
Energy: 1.40355750319485
Energy: 1.3156031058630866
Energy: 1.2993290942911186
Energy: 1.2850940591585416
Energy: 1.2885014540670963
Energy: 1.2850940591585416
Energy: 1.5193920750322358
Energy: 1.3107495344861482
Energy: 1.3169604269615218
Energy: 1.3107495344861482
Energy: 1.5009552369453165
Energy: 1.2380912757009386
Energy: 1.7211358659898646
Energy: 1.2380912757009386
Energy: 1.503831801506493
Energy: 1.238185673801134
Energy: 1.3017805500324733
Energy: 1.238185673801134
Energy: 1.3846451093941872
Energy: 1.2859150713231704
Energy: 1.2882611258015517
Energy: 1.2859150713244538
Energy: 1.3010534227634762
Energy: 1.2377251801243154
Energy: 1.2842473507896035
Energy: 1.2377251801243154
Energy: 1.3952143970792816
Energy: 1.283855363734218
Energy: 1.5586612483104714
Energy: 1.283855363734218
Energy: 1.386813693182723
Energy: 1.237168360262668
Energy: 1.2366689966395932
Energy: 1.2371683602639512
Energy: 1.5920573639288775
Energy: 1.3330989280149075
Energy: 1.5920556781219648
Energy: 1.3330989280149075
Energy: 1.2366708813895078
Energy: 1.2371514978451799
Energy: 1.386813693182723
Energy: 1.237151497846463

minimum gb energy = 1.236524292897408 eV
minimum distance =  2.28760907266431 Angstroms
sigma value = 29


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

Energy: 1.1107908183737862
Energy: 1.2001778121753184
Energy: 2.389480114920958
Energy: 1.2001778121757654
Energy: 1.5791239506242567
Energy: 1.1912626071406807
Energy: 1.1979899866916133
Energy: 1.1912626071406807
Energy: 1.4474725440792107
Energy: 1.1666891540192204
Energy: 1.1678799548831253
Energy: 1.1666891540196673
Energy: 1.6278382405867673
Energy: 1.2002516406896107
Energy: 1.1669936817898916
Energy: 1.2002516406900328
Energy: 1.661583344556622
Energy: 1.1666961068327673
Energy: 1.1669809011501453
Energy: 1.1666961068327673
Energy: 1.4472202576945248
Energy: 1.1680948852433004
Energy: 1.166657436894739
Energy: 1.1680948852428537
Energy: 1.5790279240825962
Energy: 1.1665367705122227
Energy: 1.8316991418865542
Energy: 1.1665367705122227
Energy: 1.1086922938466726
Energy: 1.1681528135205828
Energy: 1.833991085614072
Energy: 1.1681528135205828
Energy: 1.6152564342088545
Energy: 1.1984555591690669
Energy: 1.1984357371447614
Energy: 1.198455559168173

minimum gb energy = 1.1086922938466726 eV
minimum distance =  2.33777795752298 Angstroms
sigma value = 5


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

Energy: 1.364148829811264
Energy: 1.2387667294830613
Energy: 2.1163403064353603
Energy: 1.2387667294830613
Energy: 1.3550702852730625
Energy: 1.2128791257546616
Energy: 1.3200507293855384
Energy: 1.212879125755874
Energy: 1.2745329221029487
Energy: 1.2675193820409094
Energy: 1.2669208405057966
Energy: 1.267519382039697
Energy: 1.2745532337486325
Energy: 1.2764816533144352
Energy: 1.3446775433987292
Energy: 1.2764816533156473
Energy: 1.2062671697135239
Energy: 1.2665655567134326
Energy: 1.2389031167060147
Energy: 1.2665655567134326
Energy: 1.339829287127315
Energy: 1.2960697055426114
Energy: 1.2363007047454098
Energy: 1.2960697055426114
Energy: 1.3430090528487322
Energy: 1.2505086253054423
Energy: 1.3926621934329722
Energy: 1.2505086253042301
Energy: 1.3453508847002849
Energy: 1.249966882948446
Energy: 1.5182461551557518
Energy: 1.249966882949658
Energy: 1.5426680393687033
Energy: 1.2298320705631454
Energy: 1.3352135202467366
Energy: 1.229832070561933
Energy: 1.545713982945489
Energy: 1.229899951265023
Energy: 1.338660879282567
Energy: 1.2298999512638111
Energy: 1.2668004838391662
Energy: 1.2674038346103984
Energy: 1.4042832000150538
Energy: 1.2674038346091863
Energy: 1.2679294274913562
Energy: 1.2674641273188791
Energy: 1.2355637744094075
Energy: 1.2674641273200915
Energy: 1.370829002294595
Energy: 1.3187969312103693
Energy: 1.2344230541071508
Energy: 1.3187969312127938
Energy: 1.2245131793133548
Energy: 1.268637999923376
Energy: 1.234631351359264
Energy: 1.268637999923376
Energy: 1.2473118155500806
Energy: 1.4146360841459964
Energy: 1.4604016585356787
Energy: 1.4146360841472085
Energy: 1.5871284823423937
Energy: 1.241370851696795
Energy: 1.3335287675358978
Energy: 1.241370851698007
Energy: 1.4409321642867654
Energy: 1.2312831407716274
Energy: 1.461620095132947
Energy: 1.2312831407716274
Energy: 1.2461159120598284
Energy: 1.251566865561128
Energy: 1.5234101146777885
Energy: 1.251566865561128
Energy: 1.3429020622237973
Energy: 1.2472483376822632
Energy: 1.2953795960173164
Energy: 1.247248337683475
Energy: 1.2638160190576653
Energy: 1.2928211117664932
Energy: 1.2413611044802104
Energy: 1.2928211117664932
Energy: 1.2647992539840942
Energy: 1.27556812631334
Energy: 1.2970584497228694
Energy: 1.275568126312128
Energy: 1.3540217081023265
Energy: 1.2669655342001143
Energy: 1.2507099866482718
Energy: 1.2669655342001143
Energy: 1.2747067548306084
Energy: 1.2661829191926461
Energy: 1.2524766931092959
Energy: 1.2661829191914342
Energy: 1.469813615349989
Energy: 1.2272773914030206
Energy: 1.6495412344078793
Energy: 1.2272773914030206
Energy: 1.4654950474897446
Energy: 1.2280254684299972
Energy: 1.7018202469760864
Energy: 1.2280254684299972
Energy: 1.3744380636647793
Energy: 1.2656916805262095
Energy: 1.2508296320531822
Energy: 1.2656916805262095
Energy: 1.2782928567208915
Energy: 1.2657420882540873
Energy: 1.2524482057436732
Energy: 1.2657420882552994
Energy: 1.3031620738867493
Energy: 1.2773868639490646
Energy: 1.4088148568206371
Energy: 1.2773868639502768
Energy: 1.2654651717164749
Energy: 1.2673213119435376
Energy: 1.2382611672059336
Energy: 1.2673213119435376
Energy: 1.3592028781322
Energy: 1.3722059089882728
Energy: 1.3036999143446881
Energy: 1.3722059089858483
Energy: 1.340330689441172
Energy: 1.2525456999459383
Energy: 1.3901900673611574
Energy: 1.2525456999471505
Energy: 1.3413066110755743
Energy: 1.220274319528427
Energy: 1.5163666174362742
Energy: 1.220274319529639
Energy: 1.7052669583406639
Energy: 1.2324828880783902
Energy: 1.3330425971753708
Energy: 1.2324828880796026

minimum gb energy = 1.2062671697135239 eV
minimum distance =  2.27007487843786 Angstroms
sigma value = 1


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

Energy: 1.233315866727672
Energy: 1.1847194394729457
Energy: 2.197886755205957
Energy: 1.1847194394729457
Energy: 1.1803205454314152
Energy: 1.1942083902965075
Energy: 1.2460759456085744
Energy: 1.1942083902965075
Energy: 1.3901317054548283
Energy: 1.2445853811287568
Energy: 1.309591380796995
Energy: 1.2445853811287568
Energy: 1.2452661047834737
Energy: 1.245093309133995
Energy: 1.2727244714852624
Energy: 1.245093309133995
Energy: 1.1951568801593535
Energy: 1.1842831802975768
Energy: 1.195276290432713
Energy: 1.1842831802975768
Energy: 1.195734739713183
Energy: 1.245658589022769
Energy: 1.1950946566257195
Energy: 1.245658589022769
Energy: 1.2730727473828707
Energy: 1.2448810468813292
Energy: 1.3887113840993657
Energy: 1.2448810468813292
Energy: 1.2775081969983815
Energy: 1.2445894865778002
Energy: 1.39132993099079
Energy: 1.2445894865761242
Energy: 1.4786287406785377
Energy: 1.184519026296767
Energy: 1.20422024947594
Energy: 1.184519026296767
Energy: 1.4786287406768615
Energy: 1.1845207366069277
Energy: 1.2039625368506464
Energy: 1.1845207366069277
Energy: 1.2759299735255725
Energy: 1.2446176532434037
Energy: 1.39132993099079
Energy: 1.2446176532434037
Energy: 1.2730379991557224
Energy: 1.244890728487573
Energy: 1.3887113840993657
Energy: 1.244890728487573
Energy: 1.1956783362963106
Energy: 1.246036817806918
Energy: 1.1950999329964533
Energy: 1.246036817806918
Energy: 1.1951556782240118
Energy: 1.1843679574690065
Energy: 1.19532460179253
Energy: 1.1843679574690065
Energy: 1.2452799830117713
Energy: 1.2451265117340262
Energy: 1.272687286001489
Energy: 1.2451265117340262
Energy: 1.3901317054565043
Energy: 1.2445851331735536
Energy: 1.3095396251243636
Energy: 1.2445851331735536
Energy: 1.180380241280924
Energy: 1.1943831891872119
Energy: 1.2460702662930794
Energy: 1.194383189188888
Energy: 1.233315866727672
Energy: 1.1847194394729457
Energy: 2.197886755205957
Energy: 1.1847194394729457
Energy: 1.1803205454314152
Energy: 1.1942083902965075
Energy: 1.2460759456085744
Energy: 1.1942083902965075
Energy: 1.3901317054548283
Energy: 1.2445853811287568
Energy: 1.3095913807986708
Energy: 1.2445853811287568
Energy: 1.2452661047834737
Energy: 1.245093309133995
Energy: 1.2727244714852624
Energy: 1.245093309133995
Energy: 1.1951568801593535
Energy: 1.1842831802975768
Energy: 1.195276290432713
Energy: 1.1842831802975768
Energy: 1.195734739713183
Energy: 1.245658589022769
Energy: 1.1950946566257195
Energy: 1.245658589022769
Energy: 1.2730727473828707
Energy: 1.2448810468813292
Energy: 1.3887113840993657
Energy: 1.2448810468813292

minimum gb energy = 1.1803205454314152 eV
minimum distance =  2.28700774880606 Angstroms
sigma value = 17


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

Energy: 1.419859919012493
Energy: 1.2188789553144328
Energy: 2.0028741168351414
Energy: 1.2188789553154686
Energy: 1.3148777929172526
Energy: 1.2243390758997232
Energy: 1.297901161934906
Energy: 1.2243390758997232
Energy: 1.2457076573439856
Energy: 1.2229980753669452
Energy: 1.237814399764879
Energy: 1.2229980753679814
Energy: 1.2644327930335582
Energy: 1.2342907398678353
Energy: 1.38178860114141
Energy: 1.2342907398688714
Energy: 1.2528157534592523
Energy: 1.217402167440894
Energy: 1.2414016961311396
Energy: 1.21740216744193
Energy: 1.2625509179842116
Energy: 1.2486443539164553
Energy: 1.2414029194231784
Energy: 1.2486443539164553
Energy: 1.2279321127279696
Energy: 1.2300844303780678
Energy: 1.2173741297350311
Energy: 1.2300844303780678
Energy: 1.226301287028344
Energy: 1.2300404417667505
Energy: 1.2514504290204096
Energy: 1.2300404417677866
Energy: 1.451487375252181
Energy: 1.2066978194587215
Energy: 1.3922581029489973
Energy: 1.2066978194556135
Energy: 1.4911233094858134
Energy: 1.2065204353086778
Energy: 1.391637133909318
Energy: 1.2065204353076417
Energy: 1.2862313521520259
Energy: 1.2105496933894178
Energy: 1.2517953407844435
Energy: 1.2105496933894178
Energy: 1.2835264383627503
Energy: 1.2104191710166605
Energy: 1.2502638399163486
Energy: 1.2104191710156247
Energy: 1.27057244411464
Energy: 1.2357848938225564
Energy: 1.2420106669297981
Energy: 1.2357848938225564
Energy: 1.22650926423935
Energy: 1.2176097961423278
Energy: 1.240814649840014
Energy: 1.217609796141292
Energy: 1.2253390502335082
Energy: 1.256453564538092
Energy: 1.2461889886558535
Energy: 1.2564535645401642
Energy: 1.228430562019985
Energy: 1.2301215224033601
Energy: 1.2130505598742736
Energy: 1.2301215224002524
Energy: 1.3780973121367328
Energy: 1.2120652630784459
Energy: 1.2773479596021708
Energy: 1.2120652630784459
Energy: 1.2804085535443346
Energy: 1.2197885742129457
Energy: 1.4728044885683016
Energy: 1.2197885742108736
Energy: 1.2813641695768931
Energy: 1.2007189363684816
Energy: 1.2779084367367883
Energy: 1.2007189363695177
Energy: 1.5904397989743535
Energy: 1.2152006140284257
Energy: 1.2822995755587403
Energy: 1.2152006140284257
Energy: 1.3067400181948932
Energy: 1.3282953270312998
Energy: 1.3691809978111487
Energy: 1.3282953270312998
Energy: 1.2270486491796404
Energy: 1.2178155510966986
Energy: 1.2244493883956664
Energy: 1.2178155510966986
Energy: 1.3251547973357516
Energy: 1.2967538212153134
Energy: 1.2767248186555578
Energy: 1.2967538212153134
Energy: 1.2193841274887394
Energy: 1.2307612583647656
Energy: 1.2053912425212774
Energy: 1.2307612583637295
Energy: 1.220699671421025
Energy: 1.2574796630882141
Energy: 1.2929165749643348
Energy: 1.257479663087178
Energy: 1.2472377517415472
Energy: 1.218285430083246
Energy: 1.2241528985494516
Energy: 1.218285430083246
Energy: 1.3308074436656645
Energy: 1.2181826353175813
Energy: 1.2876028278540408
Energy: 1.2181826353196532
Energy: 1.3845866932560602
Energy: 1.192700122754761
Energy: 1.6604313750423842
Energy: 1.192700122754761
Energy: 1.3895097404289667
Energy: 1.1934149303014765
Energy: 1.5037617225873579
Energy: 1.1934149303014765
Energy: 1.245734269855912
Energy: 1.218268011662499
Energy: 1.2244489873381632
Energy: 1.218268011663535
Energy: 1.2488353802036651
Energy: 1.218403876650889
Energy: 1.2878251378306071
Energy: 1.2184038766498528
Energy: 1.2192165983732866
Energy: 1.2554032308285645
Energy: 1.2483038856587525
Energy: 1.2554032308296004
Energy: 1.2208616581879823
Energy: 1.231116565201416
Energy: 1.20310495174784
Energy: 1.2311165652003802
Energy: 1.302527617518103
Energy: 1.2342282933050879
Energy: 1.2248664509787408
Energy: 1.2342282933061237
Energy: 1.2259211364813687
Energy: 1.2183097617499112
Energy: 1.258153510285843
Energy: 1.2183097617509473
Energy: 1.3054228277395385
Energy: 1.198420218465222
Energy: 1.372669904357109
Energy: 1.1984202184641861
Energy: 1.6440303908267802
Energy: 1.2098532986674353
Energy: 1.2822119839665855
Energy: 1.2098532986674353
Energy: 1.3794818426346218
Energy: 1.199937267941122
Energy: 1.294048505079441
Energy: 1.1999372679400861

minimum gb energy = 1.192700122754761 eV
minimum distance =  2.28016023296151 Angstroms
sigma value = 89


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

Energy: 1.3194343139005003
Energy: 1.1364850303331533
Energy: 2.0310635303285203
Energy: 1.1364850303334306
Energy: 1.2203274177225483
Energy: 1.1693768157981588
Energy: 1.2720915143253289
Energy: 1.1693768157976046
Energy: 1.340293166512221
Energy: 1.1277444545297044
Energy: 1.1418220208597007
Energy: 1.1277444545297044
Energy: 1.1898065498702846
Energy: 1.197771289146543
Energy: 1.343457646690475
Energy: 1.197771289146543
Energy: 1.2054571252881088
Energy: 1.183026781712251
Energy: 1.1844055413251449
Energy: 1.1830267817125284
Energy: 1.1822611266682344
Energy: 1.3552604509238988
Energy: 1.1846337467897698
Energy: 1.3552604509238988
Energy: 1.1850652757384084
Energy: 1.1278680226677258
Energy: 1.1841151771491356
Energy: 1.1278680226677258
Energy: 1.1833360161046707
Energy: 1.1949215786338154
Energy: 1.3441389047374546
Energy: 1.194921578633538
Energy: 1.3414243008254492
Energy: 1.1830910946094702
Energy: 1.122185860406016
Energy: 1.1830910946097475
Energy: 1.1824543298354264
Energy: 1.1839844714766663
Energy: 1.1208719746893252
Energy: 1.1839844714769434
Energy: 1.2635090869756196
Energy: 1.1277897017582832
Energy: 1.3441737138515262
Energy: 1.127789701758006
Energy: 1.2632586059214193
Energy: 1.1287113939623956
Energy: 1.3441244775942958
Energy: 1.1287113939623956
Energy: 1.341429621631163
Energy: 1.183257835317639
Energy: 1.1222912362877058
Energy: 1.183257835317639
Energy: 1.339888106046598
Energy: 1.1842541612678132
Energy: 1.1206587577374514
Energy: 1.1842541612675668
Energy: 1.1847283101267727
Energy: 1.183072524318427
Energy: 1.2565804370532923
Energy: 1.183072524318427

minimum gb energy = 1.1206587577374514 eV
minimum distance =  2.28470538362092 Angstroms
sigma value = 13


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

Energy: 1.1942263284928565
Energy: 1.1038348479539584
Energy: 1.8181147494432288
Energy: 1.1038348479539584
Energy: 1.2774003138812027
Energy: 1.1017036383809276
Energy: 1.1354193797634902
Energy: 1.1017036383809276
Energy: 1.2322536895232237
Energy: 1.086022383671764
Energy: 1.1843213552863
Energy: 1.086022383671764
Energy: 1.1700472710048038
Energy: 1.10539983217627
Energy: 1.1351722088600018
Energy: 1.1053998321774061
Energy: 1.1126792213658412
Energy: 1.114223137307551
Energy: 1.1530015805497174
Energy: 1.114223137307551
Energy: 1.2393171184064655
Energy: 1.114841780027802
Energy: 1.1734792572211479
Energy: 1.114841780027802
Energy: 1.1372348464765532
Energy: 1.0858651548354883
Energy: 1.1463330631545832
Energy: 1.0858651548354883
Energy: 1.1407786582058586
Energy: 1.1308541600608821
Energy: 1.136179272696641
Energy: 1.1308541600608821
Energy: 1.1468876495524234
Energy: 1.114028070106239
Energy: 1.1042489499058894
Energy: 1.114028070106239
Energy: 1.309904916084006
Energy: 1.1144210774861696
Energy: 1.1944526035981533
Energy: 1.1144210774861696
Energy: 1.1669048187702413
Energy: 1.0858116480413242
Energy: 1.2262406249391749
Energy: 1.0858116480413242
Energy: 1.1589616762410044
Energy: 1.0866123452207532
Energy: 1.1360937460475762
Energy: 1.086612345219617
Energy: 1.2224108124059534
Energy: 1.0993328476265471
Energy: 1.1700447377208687
Energy: 1.0993328476265471
Energy: 1.2173216311021877
Energy: 1.101310158269905
Energy: 1.30112790300133
Energy: 1.101310158269905
Energy: 1.166516190670386
Energy: 1.0858781257003383
Energy: 1.2247663429025368
Energy: 1.0858781257003383
Energy: 1.159040125602741
Energy: 1.0867911868076996
Energy: 1.2322820931539973
Energy: 1.0867911868076996
Energy: 1.2232648290983614
Energy: 1.1139899408200493
Energy: 1.1041726427345468
Energy: 1.1139899408200493
Energy: 1.1528913028477317
Energy: 1.1143822709755955
Energy: 1.1948678704192879
Energy: 1.1143822709755955
Energy: 1.1368937398861816
Energy: 1.086540212196828
Energy: 1.1414585923218288
Energy: 1.086540212196828
Energy: 1.141470773825699
Energy: 1.0864942353505505
Energy: 1.1368919679507923
Energy: 1.0864942353505505
Energy: 1.1948807909647599
Energy: 1.114380992343677
Energy: 1.1528753107707217
Energy: 1.1143809923448131
Energy: 1.104210435456647
Energy: 1.113971610173114
Energy: 1.2232648290994976
Energy: 1.113971610173114
Energy: 1.2322820931506404
Energy: 1.086309191145388
Energy: 1.159041474665367
Energy: 1.086309191145388
Energy: 1.2247663429048088
Energy: 1.085867399599622
Energy: 1.1666565732114602
Energy: 1.085867399599622
Energy: 1.3013708751138116
Energy: 1.1013526470962418
Energy: 1.2173523139805427
Energy: 1.1013526470962418
Energy: 1.1700253732955377
Energy: 1.0994923085559403
Energy: 1.2224108124059534
Energy: 1.0994923085559403
Energy: 1.1360730119723677
Energy: 1.0866065104046003
Energy: 1.1589673822818227
Energy: 1.0866065104046003
Energy: 1.2262406249380386
Energy: 1.0857993354217035
Energy: 1.1664326258395623
Energy: 1.0857993354228395
Energy: 1.1944098837089874
Energy: 1.1146233015459515
Energy: 1.3100464315386047
Energy: 1.1146233015459515
Energy: 1.1040157729472078
Energy: 1.11402931605238
Energy: 1.1467085798824297
Energy: 1.11402931605238
Energy: 1.1360101506283686
Energy: 1.1308578196237817
Energy: 1.1405023918695631
Energy: 1.1308578196237817
Energy: 1.1460500024041935
Energy: 1.0858547052498273
Energy: 1.1373126766722872
Energy: 1.0858547052498273
Energy: 1.1737206615986258
Energy: 1.1145978490884294
Energy: 1.2392572300810962
Energy: 1.1145978490884294
Energy: 1.1529719082552106
Energy: 1.1142268555557526
Energy: 1.1126866519685237
Energy: 1.1142268555557526
Energy: 1.1350475426577156
Energy: 1.1053630549472568
Energy: 1.1700360579349889
Energy: 1.1053630549461209

minimum gb energy = 1.0857993354217035 eV
minimum distance =  2.3041962758859 Angstroms
sigma value = 37


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

Energy: 1.1890687870621788
Energy: 1.0326453928010302
Energy: 1.7463557983989737
Energy: 1.0326453928006305
Energy: 1.21703601360159
Energy: 1.0517494470276723
Energy: 1.10927096710586
Energy: 1.0517494470272948
Energy: 1.2238619400249147
Energy: 1.015426331706086
Energy: 1.1887871670203647
Energy: 1.0154263317062862
Energy: 1.1483178790651987
Energy: 1.0305964555235245
Energy: 1.1096973562204762
Energy: 1.0305964555231468
Energy: 1.1027008317889233
Energy: 1.0134771956682584
Energy: 1.21294290435919
Energy: 1.0134771956686361
Energy: 1.191807401816662
Energy: 1.0554919474582336
Energy: 1.1290111706796961
Energy: 1.0554919474580338
Energy: 1.1048803183020146
Energy: 1.0154311716230315
Energy: 1.1546934408236547
Energy: 1.0154311716228317
Energy: 1.1043466002787001
Energy: 1.1550571689614932
Energy: 1.124431253679914
Energy: 1.1550571689612934
Energy: 1.1120864354567592
Energy: 1.013501564048622
Energy: 1.1244152191511796
Energy: 1.013501564048622
Energy: 1.1909781815688494
Energy: 1.0553660286583217
Energy: 1.1250148080793787
Energy: 1.0553660286587214
Energy: 1.0751510688475472
Energy: 1.0152843974745764
Energy: 1.211360078668947
Energy: 1.0152843974747763
Energy: 1.0849871684962953
Energy: 1.0571060602544124
Energy: 1.1706530995848234
Energy: 1.0571060602547901
Energy: 1.2239126135011011
Energy: 1.013667428918686
Energy: 1.1353695614800599
Energy: 1.0136674289180865
Energy: 1.0697699427371423
Energy: 1.0159336257902234
Energy: 1.1373014637160472
Energy: 1.015933625790801
Energy: 1.1406711223144637
Energy: 1.0315264500172723
Energy: 1.2114289471813393
Energy: 1.0315264500172723
Energy: 1.1349971853371967
Energy: 1.0387037371826455
Energy: 1.1667482356054752
Energy: 1.0387037371826455
Energy: 1.2239513798928896
Energy: 1.0137625116725997
Energy: 1.1354215330434618
Energy: 1.0137625116727997
Energy: 1.1479819736266377
Energy: 1.0157846061926497
Energy: 1.1373075163137176
Energy: 1.0157846061924498
Energy: 1.0751681456162694
Energy: 1.0152377450484726
Energy: 1.2116577448465544
Energy: 1.0152377450484726
Energy: 1.0750732448556228
Energy: 1.0566103392537234
Energy: 1.2130595925416097
Energy: 1.0566103392535235

minimum gb energy = 1.0134771956682584 eV
minimum distance =  2.29605504902143 Angstroms
sigma value = 25


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

Energy: 1.1197445594739512
Energy: 0.9442779638202897
Energy: 1.4989968177821205
Energy: 0.9442779638187633
Energy: 1.007000529717897
Energy: 0.9716471348925182
Energy: 1.0352947000087052
Energy: 0.9716471348925182
Energy: 1.09011525104952
Energy: 0.9285442729870409
Energy: 1.0923892365013539
Energy: 0.9285442729870409
Energy: 1.04207703899436
Energy: 0.9797728497822954
Energy: 1.035330468534704
Energy: 0.9797728497822954
Energy: 1.0450186050420927
Energy: 0.9211806071960882
Energy: 1.0793541005581477
Energy: 0.9211806071960882
Energy: 1.04227773551011
Energy: 0.9403655579949451
Energy: 1.0692163431218353
Energy: 0.9403655579949451
Energy: 1.0202620660971105
Energy: 0.9207239747854947
Energy: 1.0452390873180912
Energy: 0.9207239747854947
Energy: 1.0450914260436164
Energy: 0.9437248016779225
Energy: 1.0833907825600742
Energy: 0.9437248016779225
Energy: 1.0155146433135944
Energy: 0.9212709031569706
Energy: 1.0364273335199143
Energy: 0.9212709031554444
Energy: 1.0637445708440665
Energy: 0.9954071889949712
Energy: 1.0466886097834724
Energy: 0.9954071889964974
Energy: 1.007087479225944
Energy: 0.9207091103212274
Energy: 1.0441825085299787
Energy: 0.9207091103212274
Energy: 1.0423192780120265
Energy: 0.9438346100758622
Energy: 1.0689821802226538
Energy: 0.9438346100758622
Energy: 1.0230253111073158
Energy: 0.9213387260502434
Energy: 1.0185552958152948
Energy: 0.9213387260502434
Energy: 1.1165901406581262
Energy: 0.9431519888202896
Energy: 1.0092567169143913
Energy: 0.9431519888187633
Energy: 0.9931857020522901
Energy: 0.9208275815021859
Energy: 1.0815770917022967
Energy: 0.9208275815021859
Energy: 1.017762703417457
Energy: 0.920938771618934
Energy: 1.0340287775715413
Energy: 0.920938771618934
Energy: 1.086593401002346
Energy: 0.9284046774992426
Energy: 1.00999021163486
Energy: 0.9284046774992426
Energy: 0.9998305203704608
Energy: 0.9546289696655321
Energy: 1.0107421576392839
Energy: 0.9546289696670585
Energy: 1.0309612095214296
Energy: 0.9429070605299766
Energy: 1.0833791992629964
Energy: 0.9429070605299766
Energy: 1.0735145974227838
Energy: 0.9436997813578439
Energy: 1.0338245142128493
Energy: 0.9436997813563177
Energy: 1.0864096311876243
Energy: 0.9286173039811286
Energy: 1.0105451448460507
Energy: 0.9286173039811286
Energy: 1.05796439515436
Energy: 0.9383160201518687
Energy: 1.0130790146281567
Energy: 0.9383160201518687
Energy: 0.9930922778452712
Energy: 0.9210431318363588
Energy: 1.0788829075096358
Energy: 0.9210431318363588
Energy: 1.041980177059391
Energy: 0.9205828368605882
Energy: 1.0592512060400303
Energy: 0.9205828368621145
Energy: 1.0240930731423588
Energy: 0.9214971575747936
Energy: 1.0188508672027954
Energy: 0.9214971575747936
Energy: 1.0919357152992168
Energy: 0.942820743664785
Energy: 1.0096877414129362
Energy: 0.9428207436632586

minimum gb energy = 0.9205828368605882 eV
minimum distance =  2.30580181409952 Angstroms
sigma value = 41


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

Energy: 1.0419744049355943
Energy: 0.877158725920421
Energy: 1.3270059564843812
Energy: 0.8771587259191695
Energy: 0.9388918337058605
Energy: 0.8892887863917485
Energy: 0.9808513417388954
Energy: 0.8892887863929998
Energy: 0.9902735195244278
Energy: 0.8580151907633845
Energy: 0.9997924346658247
Energy: 0.8580151907633845
Energy: 0.9822202333054284
Energy: 0.9254323953322225
Energy: 0.9807288198686281
Energy: 0.9254323953309712
Energy: 0.9899236966996576
Energy: 0.84797229730536
Energy: 0.9820703111814191
Energy: 0.84797229730536
Energy: 0.982386121287573
Energy: 0.8651775483453437
Energy: 0.964552622016891
Energy: 0.8651775483453437
Energy: 0.9945986758801784
Energy: 0.8443606481638455
Energy: 0.9851680671593636
Energy: 0.8443606481650968
Energy: 0.9815893810673806
Energy: 0.8698881453681627
Energy: 0.964566066796059
Energy: 0.8698881453681627
Energy: 0.9873419277385351
Energy: 0.8442877175012615
Energy: 0.9595691758001497
Energy: 0.8442877175000102
Energy: 0.9816077727022315
Energy: 0.9010352323790748
Energy: 0.9782883915563786
Energy: 0.9010352323790748
Energy: 0.9741713701413843
Energy: 0.844481056617154
Energy: 0.9626452834922867
Energy: 0.8444810566159028
Energy: 0.9690194248713541
Energy: 0.8878052109992594
Energy: 0.9782373551819902
Energy: 0.8878052109992594
Energy: 0.9810662079135689
Energy: 0.8444216840239486
Energy: 0.9556757419300407
Energy: 0.8444216840239486
Energy: 0.9815248426527868
Energy: 0.8578566667976988
Energy: 0.9676856976359659
Energy: 0.8578566667976988
Energy: 0.9319949046402768
Energy: 0.8443956618920586
Energy: 0.9643651346936133
Energy: 0.84439566189331
Energy: 0.9314297433028268
Energy: 0.8575567899205232
Energy: 0.9958537614635575
Energy: 0.8575567899205232
Energy: 0.9985627402870979
Energy: 0.844179742510658
Energy: 0.9244556253726837
Energy: 0.844179742510658
Energy: 0.9785714842301542
Energy: 0.8440870014826257
Energy: 0.9420691932426246
Energy: 0.8440870014813745
Energy: 0.9320682955314794
Energy: 0.8472506749857263
Energy: 0.9838170667174229
Energy: 0.847250674984475
Energy: 0.9358026064947594
Energy: 0.9143905068421525
Energy: 0.9369353439638545
Energy: 0.9143905068421525
Energy: 0.987630116739337
Energy: 0.8566454319606056
Energy: 0.9421240896362704
Energy: 0.8566454319606056
Energy: 0.9321591318169767
Energy: 0.87716570217012
Energy: 0.9771578465234544
Energy: 0.87716570217012
Energy: 0.9678782928139088
Energy: 0.8761566837565384
Energy: 0.9854938268953148
Energy: 0.8761566837565384
Energy: 0.9926705643239934
Energy: 0.8794766566212775
Energy: 0.9633636150124807
Energy: 0.8794766566224718
Energy: 0.9946571081650915
Energy: 0.8565154026632305
Energy: 0.9420973763789244
Energy: 0.8565154026619792
Energy: 0.9784335102232955
Energy: 0.8577865500429506
Energy: 0.9767455265261966
Energy: 0.8577865500416992
Energy: 0.9321349360511311
Energy: 0.8473800153252667
Energy: 0.9861160965260125
Energy: 0.8473800153252667
Energy: 0.9667058406720166
Energy: 0.8552897717173661
Energy: 0.9956940085899901
Energy: 0.8552897717186174
Energy: 0.9935911286910571
Energy: 0.8440938012630327
Energy: 0.9243656595679819
Energy: 0.8440938012642839
Energy: 0.9817948773016117
Energy: 0.8438025729472537
Energy: 0.9680490106319772
Energy: 0.8438025729472537
Energy: 0.9325292956922677
Energy: 0.8442384150955395
Energy: 0.9585370057804314
Energy: 0.8442384150955395
Energy: 0.9313591113549293
Energy: 0.8573308732297316
Energy: 1.0030668980601134
Energy: 0.8573308732297316

minimum gb energy = 0.8438025729472537 eV
minimum distance =  2.31376989259312 Angstroms
sigma value = 15


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

Energy: 0.9703371310121649
Energy: 0.8148750546742536
Energy: 1.1992442666377119
Energy: 0.8148750546742536
Energy: 0.924277854925386
Energy: 0.8687669540302577
Energy: 0.9153385870438577
Energy: 0.8687669540313178
Energy: 0.9134242782741846
Energy: 0.8050983124604371
Energy: 0.9450963278304115
Energy: 0.8050983124604371
Energy: 0.9119667967488675
Energy: 0.8173007595777917
Energy: 0.9155555851876915
Energy: 0.8173007595777917
Energy: 0.9309107852689709
Energy: 0.7932571857861125
Energy: 0.907404115083161
Energy: 0.7932571857871725
Energy: 0.9119434359788848
Energy: 0.8528020185076269
Energy: 0.9132770274092733
Energy: 0.8528020185076269
Energy: 0.9175848217159592
Energy: 0.7829980207710691
Energy: 0.9399625249487247
Energy: 0.7829980207710691
Energy: 0.9038985769560907
Energy: 0.8534075041955395
Energy: 0.9132794630666797
Energy: 0.8534075041944795
Energy: 0.9322730167240685
Energy: 0.7816775107209095
Energy: 0.8948439423366598
Energy: 0.7816775107198494
Energy: 0.903598331426794
Energy: 0.7983799895926392
Energy: 0.9153774527183921
Energy: 0.7983799895915791
Energy: 0.9065171146832248
Energy: 0.7817344184107825
Energy: 0.9112766310534293
Energy: 0.7817344184107825
Energy: 0.9131689745309648
Energy: 0.817809669026099
Energy: 0.9148469117205411
Energy: 0.817809669027159
Energy: 0.9133081960686337
Energy: 0.7818706864071611
Energy: 0.8944869970844517
Energy: 0.781870686406101
Energy: 0.9132131748712609
Energy: 0.8095749457399468
Energy: 0.9074711739591799
Energy: 0.8095749457399468
Energy: 0.9077428956890097
Energy: 0.781894308480929
Energy: 0.8980207061843831
Energy: 0.781894308479869
Energy: 0.9127299399284886
Energy: 0.809412123831546
Energy: 0.9149072216459976
Energy: 0.8094121238304859
Energy: 0.9103096082822707
Energy: 0.7818050197989428
Energy: 0.905971884451773
Energy: 0.7818050197968226
Energy: 0.9206922831800594
Energy: 0.7904296738778089
Energy: 0.87767268679892
Energy: 0.7904296738767489
Energy: 0.8717329103189251
Energy: 0.7816370839149789
Energy: 0.8985153672010895
Energy: 0.7816370839149789
Energy: 0.9063182810485716
Energy: 0.7980871588277936
Energy: 0.909152248918597
Energy: 0.7980871588267335
Energy: 0.9216267986332147
Energy: 0.7834136690573004
Energy: 0.8778180881284163
Energy: 0.7834136690562403
Energy: 0.9228838525186877
Energy: 0.8460379149824572
Energy: 0.9056011714777561
Energy: 0.8460379149835174
Energy: 0.8809223764584113
Energy: 0.7930837844682999
Energy: 0.9087216795398313
Energy: 0.7930837844693599
Energy: 0.915030639377655
Energy: 0.8585042035042014
Energy: 0.9214900389800499
Energy: 0.8585042035042014
Energy: 0.9114956133943924
Energy: 0.8047669163945759
Energy: 0.8960158437726039
Energy: 0.8047669163956359
Energy: 0.8794059895246441
Energy: 0.8616388349187886
Energy: 0.9235920509561304
Energy: 0.8616388349187886
Energy: 0.9068461792659918
Energy: 0.8148040617801858
Energy: 0.9102794308360996
Energy: 0.8148040617812459
Energy: 0.9242938061143247
Energy: 0.8568103596112173
Energy: 0.9210256912063877
Energy: 0.8568103596101571
Energy: 0.9180417196343482
Energy: 0.80191438025645
Energy: 0.8960972105194138
Energy: 0.80191438025751
Energy: 0.9227364908674591
Energy: 0.804124209425736
Energy: 0.9234112768635313
Energy: 0.804124209425736
Energy: 0.8811759685918921
Energy: 0.7902420409950429
Energy: 0.9099858591222468
Energy: 0.7902420409950429
Energy: 0.9148906730605212
Energy: 0.8033965044345549
Energy: 0.9094061673265872
Energy: 0.8033965044345549
Energy: 0.9175190514997794
Energy: 0.7834183164044131
Energy: 0.8781416301234479
Energy: 0.7834183164044131
Energy: 0.9209710307242878
Energy: 0.788355223157534
Energy: 0.9054887418135054
Energy: 0.788355223157534
Energy: 0.8718706428352492
Energy: 0.7819198278837411
Energy: 0.9253721622110381
Energy: 0.7819198278848012
Energy: 0.9075872486731811
Energy: 0.797639611076388
Energy: 0.915367418152739
Energy: 0.7976396110785081
Energy: 0.9026937483574407
Energy: 0.782074089709614
Energy: 0.9056086377564352
Energy: 0.7820740897074938

minimum gb energy = 0.7816370839149789 eV
minimum distance =  2.31700218833061 Angstroms
sigma value = 85


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

Energy: 0.9523087219408908
Energy: 0.7594090365623856
Energy: 1.075230282536995
Energy: 0.7594090365623856
Energy: 0.8311832383381501
Energy: 0.71358960406929
Energy: 0.8365539763458748
Energy: 0.71358960406929
Energy: 0.8280350158025105
Energy: 0.7575842394070191
Energy: 0.9158221842380587
Energy: 0.7575842394070191
Energy: 0.8233516837903259
Energy: 0.7589022033751804
Energy: 0.8366120864606854
Energy: 0.7589022033742612
Energy: 0.8989073101299291
Energy: 0.7248454007192927
Energy: 0.8281724425236523
Energy: 0.7248454007183733
Energy: 0.823102591765577
Energy: 0.7620361883681239
Energy: 0.8305217899456492
Energy: 0.7620361883672045
Energy: 0.8416692600668509
Energy: 0.7262014333375999
Energy: 0.878500043345744
Energy: 0.7262014333375999
Energy: 0.8327886198933533
Energy: 0.7697294265745451
Energy: 0.8304744713918114
Energy: 0.7697294265745451
Energy: 0.8812217957506168
Energy: 0.7081738228158129
Energy: 0.8571944321317099
Energy: 0.7081738228158129
Energy: 0.832907809188246
Energy: 0.7821937866605818
Energy: 0.8369447784043401
Energy: 0.7821937866605818
Energy: 0.8179160513579731
Energy: 0.7081620987319911
Energy: 0.8682184024519307
Energy: 0.7081620987319911
Energy: 0.8529342977885456
Energy: 0.7213564768954044
Energy: 0.8365113981106532
Energy: 0.721356476894485
Energy: 0.8407430530243977
Energy: 0.7084344669608257
Energy: 0.8344724534656858
Energy: 0.7084344669608257
Energy: 0.8526075543094215
Energy: 0.7523275675234818
Energy: 0.8514154391625399
Energy: 0.7523275675234818
Energy: 0.8139322882177182
Energy: 0.7083736068055376
Energy: 0.8446486004634897
Energy: 0.7083736068055376
Energy: 0.8465685433253474
Energy: 0.7514542056705782
Energy: 0.8509109007601986
Energy: 0.7514542056705782
Energy: 0.8178157157568811
Energy: 0.7082166554470605
Energy: 0.833892034144303
Energy: 0.7082166554479797
Energy: 0.8524500458960121
Energy: 0.7511998915919598
Energy: 0.8509901596149646
Energy: 0.7511998915919598
Energy: 0.829449217475131
Energy: 0.7081362471656296
Energy: 0.8399387803158708
Energy: 0.7081362471656296
Energy: 0.8181302295934285
Energy: 0.7206662803133463
Energy: 0.8499568574665785
Energy: 0.7206662803133463
Energy: 0.8168191454364729
Energy: 0.7082504089198343
Energy: 0.808126962201329
Energy: 0.7082504089198343
Energy: 0.8334838583758856
Energy: 0.7224842727135339
Energy: 0.8369896654445651
Energy: 0.7224842727135339
Energy: 0.8133682381247666
Energy: 0.7076946479218686
Energy: 0.8546477612147774
Energy: 0.7076946479218686
Energy: 0.8335562160867408
Energy: 0.7690783183861817
Energy: 0.8259131924458221
Energy: 0.7690783183852624
Energy: 0.8443193549365691
Energy: 0.7253256420479731
Energy: 0.8135365677376576
Energy: 0.7253256420479731
Energy: 0.8231503136081518
Energy: 0.7618183448660308
Energy: 0.830605110524079
Energy: 0.7618183448660308
Energy: 0.8317417129688284
Energy: 0.7247076779905702
Energy: 0.8289168526407606
Energy: 0.7247076779905702
Energy: 0.8425686720156933
Energy: 0.7650948236054677
Energy: 0.8175895462881495
Energy: 0.7650948236054677
Energy: 0.8264776466022312
Energy: 0.7576034468315904
Energy: 0.8307492851868898
Energy: 0.7576034468315904
Energy: 0.814402868906674
Energy: 0.7614628170323205
Energy: 0.8364682681428053
Energy: 0.7614628170323205
Energy: 0.8663679290394095
Energy: 0.7593295616887861
Energy: 0.8305279396190464
Energy: 0.7593295616897056
Energy: 0.8642116485956783
Energy: 0.7270630117386249
Energy: 0.8172104395766745
Energy: 0.7270630117395442
Energy: 0.8264119688323462
Energy: 0.7576735209321085
Energy: 0.8308368667587416
Energy: 0.7576735209311892
Energy: 0.823148135737764
Energy: 0.7082663137014057
Energy: 0.8368360541988777
Energy: 0.7082663137014057
Energy: 0.8318619251761896
Energy: 0.7247227939242981
Energy: 0.8302275904749378
Energy: 0.7247227939242981
Energy: 0.8425126365041904
Energy: 0.7066337851662131
Energy: 0.8256687759771143
Energy: 0.7066337851662131
Energy: 0.8415844460500577
Energy: 0.7252591287228225
Energy: 0.8135129394506144
Energy: 0.7252591287237419
Energy: 0.8337007648871119
Energy: 0.70728387094346
Energy: 0.8306207476803565
Energy: 0.7072838709425404
Energy: 0.8135196200726329
Energy: 0.7076116641871857
Energy: 0.8544881710035095
Energy: 0.7076116641871857
Energy: 0.8361336764783549
Energy: 0.7071561630435207
Energy: 0.8498881475691275
Energy: 0.7071561630426011
Energy: 0.8150952106450918
Energy: 0.7075316549314113
Energy: 0.8081803412755877
Energy: 0.7075316549323308
Energy: 0.8532728586882316
Energy: 0.7224888154163484
Energy: 0.8365064458572568
Energy: 0.7224888154163484
Energy: 0.8294596957454995
Energy: 0.7061331700112218
Energy: 0.8369548760183805
Energy: 0.7061331700112218

minimum gb energy = 0.7061331700112218 eV
minimum distance =  2.32160490608045 Angstroms
sigma value = 113


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

Energy: 0.014949791759331482
Energy: 0.015217212648105648
Energy: 1.3276878725215595
Energy: 0.015217212648105648
Energy: 0.01590714907659834
Energy: 0.6808563421900621
Energy: 0.01590714907659834
Energy: 0.6808563421900621
Energy: 1.327687872520853
Energy: 0.015217212648105648
Energy: 0.014949791759331482
Energy: 0.015217212648105648
Energy: 0.01590714907659834
Energy: 0.6808563421907295
Energy: 0.01590714907659834
Energy: 0.6808563421900621
Energy: 0.014949791759331482
Energy: 0.015217212648105648
Energy: 1.327687872520853
Energy: 0.015217212648105648
Energy: 0.01590714907659834
Energy: 0.6808563421900621
Energy: 0.015907149077305106
Energy: 0.6808563421900621

minimum gb energy = 0.014949791759331482 eV
minimum distance =  2.4574395924462 Angstroms
sigma value = 1