Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.662545010447502
cohesive_energy=13.753385086681691
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 1.6848173738545122
Energy: 0.4344330830578622
Energy: 1.6848173738545122
Energy: 0.7457320827461043
Energy: 1.6848173738545122
Energy: 1.3260412247819242
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 1.6848173738545122
Energy: 0.745732082743117
Energy: 1.6848173738545122
Energy: 1.1578229555205521
Energy: 1.6848173738545122
Energy: 1.3260412247341278
Energy: 0.05170978507713709
Energy: 1.6848173738574996
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 0.05170978507713709
Energy: 1.6848173738545122
Energy: 1.6848173738545122
Energy: 1.326041224778937
Energy: 1.6848173738545122
Energy: 1.3260412247729625
Energy: 1.6848173738574996
Energy: 1.3260412247729625

minimum gb energy = 0.05170978507713709 eV
minimum distance =  2.44181644875549 Angstroms
sigma value = 1


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

Energy: 1.2685812547391622
Energy: 1.2448339684812157
Energy: 1.268581254731808
Energy: 1.2448339684812157
Energy: 1.268581254731808
Energy: 1.2448339684812157
Energy: 1.6277080503289998
Energy: 0.8514199204093396
Energy: 1.6277080503216454
Energy: 0.8514199204093396
Energy: 1.6277080503363541
Energy: 0.8514199204093396
Energy: 1.1891236219228773
Energy: 1.3113335500293253
Energy: 1.1891236219302315
Energy: 1.3113335500219712
Energy: 1.1891236219302315
Energy: 1.3113335500293253
Energy: 1.343655608155905
Energy: 1.074850617271426
Energy: 1.343655608148551
Energy: 1.0748506172787804
Energy: 1.3436556081632596
Energy: 1.0748506172787804
Energy: 1.1478662268355815
Energy: 1.26326590913901
Energy: 1.1478662268429356
Energy: 1.26326590913901
Energy: 1.14786622685029
Energy: 1.26326590913901
Energy: 1.2172114861686456
Energy: 1.049017285394018
Energy: 1.217211486161291
Energy: 1.0490172854013722
Energy: 1.217211486161291
Energy: 1.0490172854013722
Energy: 1.2311139565073885
Energy: 1.34738043321371
Energy: 1.2311139565073885
Energy: 1.347380433206356
Energy: 1.2311139565073885
Energy: 1.347380433206356
Energy: 1.0313356225587265
Energy: 1.4849318348802372
Energy: 1.0313356225513723
Energy: 1.4849318348802372
Energy: 1.0313356225513723
Energy: 1.4849318348875913
Energy: 1.4252837191991852
Energy: 1.2604851792640337
Energy: 1.4252837192065397
Energy: 1.2604851792713878
Energy: 1.4252837192065397
Energy: 1.2604851792566796
Energy: 0.9393754912551613
Energy: 1.458341260944701
Energy: 0.9393754912551613
Energy: 1.458341260944701
Energy: 0.9393754912551613
Energy: 1.4583412609520552
Energy: 1.111121629719875
Energy: 1.0201950261079515
Energy: 1.1111216297272293
Energy: 1.0201950261079515
Energy: 1.1111216297051665
Energy: 1.0201950261079515
Energy: 0.8295105433728087
Energy: 1.6722289928545648
Energy: 0.8295105433654546
Energy: 1.6722289928545648
Energy: 0.8295105433581001
Energy: 1.6722289928545648
Energy: 1.5457741493566877
Energy: 0.789981235134281
Energy: 1.5457741493494672
Energy: 0.789981235134281
Energy: 1.5457741493566877
Energy: 0.7899812351269269
Energy: 1.1033973013689922
Energy: 1.2940246084554532
Energy: 1.1033973013689922
Energy: 1.2940246084480989
Energy: 1.1033973013689922
Energy: 1.2940246084701617
Energy: 1.4807076796621856
Energy: 1.0258448172563648
Energy: 1.4807076796621856
Energy: 1.0258448172490107
Energy: 1.4807076796621856
Energy: 1.0258448172563648
Energy: 1.475127523402692
Energy: 1.2187637279819383
Energy: 1.4751275233953374
Energy: 1.2187637279819383
Energy: 1.4751275233806291
Energy: 1.2187637279672299
Energy: 1.1861323012718195
Energy: 1.1851982716188338
Energy: 1.1861323012718195
Energy: 1.1851982716188338
Energy: 1.186132301286528
Energy: 1.185198271626188
Energy: 1.2031615234370232
Energy: 1.2667869927208253
Energy: 1.2031615234370232
Energy: 1.2667869927208253
Energy: 1.2031615234370232
Energy: 1.2667869927134712
Energy: 1.107827786978468
Energy: 1.1827501905445303
Energy: 1.107827786971114
Energy: 1.1827501905518845
Energy: 1.107827786978468
Energy: 1.1827501905518845
Energy: 1.2778779435754524
Energy: 0.9965134928117443
Energy: 1.2778779435828065
Energy: 0.9965134928190986
Energy: 1.2778779435828065
Energy: 0.9965134927970357
Energy: 0.9777075887585748
Energy: 1.6188602933530105
Energy: 0.9777075887585748
Energy: 1.6188602933456562
Energy: 0.9777075887585748
Energy: 1.6188602933530105
Energy: 1.2759058445133873
Energy: 1.2653249708964824
Energy: 1.2759058445133873
Energy: 1.2653249709038366
Energy: 1.2759058445280957
Energy: 1.2653249708964824
Energy: 0.8691699142415799
Energy: 1.6579219853508003
Energy: 0.8691699142342256
Energy: 1.6579219853508003
Energy: 0.8691699142342256
Energy: 1.6579219853581542

minimum gb energy = 0.7899812351269269 eV
minimum distance =  2.38261579009124 Angstroms
sigma value = 33


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

Energy: 1.3757965286890657
Energy: 1.33008564541211
Energy: 1.3757965286890657
Energy: 1.33008564541211
Energy: 1.3757965286890657
Energy: 1.33008564541211
Energy: 1.2482827404553662
Energy: 1.0699029887569544
Energy: 1.2482827404469998
Energy: 1.0699029887485885
Energy: 1.2482827404594732
Energy: 1.0699029887569544
Energy: 0.8165436921952186
Energy: 1.0636151872759536
Energy: 0.8165436921909596
Energy: 1.0636151874514896
Energy: 0.8165436921909596
Energy: 1.063615186895372
Energy: 1.3414491361598695
Energy: 1.4317017684248348
Energy: 1.3414491361598695
Energy: 1.431701768428942
Energy: 1.3414491361639764
Energy: 1.4317017684248348
Energy: 1.0626202463700907
Energy: 1.1959404815849437
Energy: 1.0626202463700907
Energy: 1.195940481672712
Energy: 1.0626202463576175
Energy: 1.195940481601676
Energy: 1.0788969367394246
Energy: 0.8224578176121664
Energy: 1.0788969367476386
Energy: 0.8224578176205324
Energy: 1.0788969367476386
Energy: 0.8224578176162733
Energy: 1.536116649238155
Energy: 1.3326919482194683
Energy: 1.5361166492130567
Energy: 1.3326919482194683
Energy: 1.5361166492046907
Energy: 1.3326919482237274
Energy: 0.7711581260091533
Energy: 1.3242151369449067
Energy: 0.7711581260050463
Energy: 1.3242151369575317
Energy: 0.7711581260175194
Energy: 1.3242151369491657
Energy: 0.8673726525429922
Energy: 0.8145498883276344
Energy: 0.8673726525346261
Energy: 0.8145498883235274
Energy: 0.8673726525388852
Energy: 0.8145498883276344
Energy: 0.7286841146307902
Energy: 1.2595412458343314
Energy: 0.7286841146348972
Energy: 1.2595412458134922
Energy: 0.7286841146348972
Energy: 1.2595412458175992
Energy: 1.2682593981880717
Energy: 0.7198210040552043
Energy: 1.2682593981546073
Energy: 0.7198210040552043
Energy: 1.2682593981797057
Energy: 0.7198210040552043
Energy: 0.8107571512204496
Energy: 0.8665843851685449
Energy: 0.8107571512204496
Energy: 0.8665843851685449
Energy: 0.8107571512204496
Energy: 0.8665843851726517
Energy: 1.3144911413609284
Energy: 0.7686261927558472
Energy: 1.3144911340939804
Energy: 0.7686261927558472
Energy: 1.31449111800475
Energy: 0.7686261927515879
Energy: 1.3271712816159422
Energy: 1.3428080509707672
Energy: 1.3271712816159422
Energy: 1.342808050958294
Energy: 1.327171281611683
Energy: 1.3428080509540348
Energy: 1.1355468660210053
Energy: 1.0738249024338826
Energy: 1.1355468660168984
Energy: 1.0738249024381417
Energy: 1.1355468660252646
Energy: 1.0738249024297755
Energy: 0.8101270219637785
Energy: 1.0688635496855565
Energy: 0.8101270219637785
Energy: 1.0688635496896637
Energy: 0.8101270219637785
Energy: 1.0688635496855565
Energy: 1.3332180572923298
Energy: 1.3468794680822422
Energy: 1.3332180573006958
Energy: 1.3468794680948675
Energy: 1.3332180573049548
Energy: 1.3468794680822422
Energy: 1.0772830473940365
Energy: 0.820954401336937
Energy: 1.0772830474275008
Energy: 0.820954401324464
Energy: 1.0772830474024024
Energy: 0.8209544013285709
Energy: 1.0661924427495761
Energy: 1.1211647506948312
Energy: 1.066192442745469
Energy: 1.1211647507031977
Energy: 1.0661924427371028
Energy: 1.1211647506656262
Energy: 1.3323020499602165
Energy: 1.3780711232733358
Energy: 1.3323020499643237
Energy: 1.3780711232733358
Energy: 1.3323020499475915
Energy: 1.3780711232733358
Energy: 0.7683886539915556
Energy: 1.3334151871821234
Energy: 0.7683886539915556
Energy: 1.3334151871945965
Energy: 0.7683886539999216
Energy: 1.3334151871988555
Energy: 1.5609167714424055
Energy: 0.8126002820063003
Energy: 1.5609167714465124
Energy: 0.8126002820063003
Energy: 1.5609167714424055
Energy: 0.8126002820063003
Energy: 0.7163038314026496
Energy: 1.2685219141114523
Energy: 0.7163038313983906
Energy: 1.2685219141157114
Energy: 0.7163038313983906
Energy: 1.268521914103086
Energy: 1.264379490509746
Energy: 1.071124913793966
Energy: 1.2643794904930141
Energy: 1.071124913793966
Energy: 1.264379490480389
Energy: 1.0711249137813408
Energy: 0.8218255556539424
Energy: 1.065183143269313
Energy: 0.8218255556498354
Energy: 1.0651831432901522
Energy: 0.8218255556539424
Energy: 1.065183143269313
Energy: 1.3231732324452459
Energy: 1.4010930075262864
Energy: 1.323173232457719
Energy: 1.4010930075221792
Energy: 1.323173232466085
Energy: 1.4010930075221792
Energy: 1.3231617873557249
Energy: 1.401014041799326
Energy: 1.3231617873557249
Energy: 1.4010140417950667
Energy: 1.3231617873389925
Energy: 1.4010140417909598
Energy: 0.8203100570295352
Energy: 1.0655753872868918
Energy: 0.8203100570336422
Energy: 1.0655753872911509
Energy: 0.8203100570295352
Energy: 1.0655753872911509
Energy: 1.264846796687816
Energy: 1.0647361224241323
Energy: 1.2648467966753427
Energy: 1.0647361224408645
Energy: 1.2648467966920751
Energy: 1.0647361224198733
Energy: 0.7162635198996884
Energy: 1.2744532764743892
Energy: 0.7162635198955816
Energy: 1.27445327647013
Energy: 0.7162635198996884
Energy: 1.274453276537059
Energy: 1.5596319810043244
Energy: 0.8125998856543224
Energy: 1.559631980987592
Energy: 0.8125998856543224
Energy: 1.559631980987592
Energy: 0.8125998856543224
Energy: 0.7682302317405824
Energy: 1.3345473466443316
Energy: 0.7682302317405824
Energy: 1.3345473466359656
Energy: 0.7682302317405824
Energy: 1.3345473466192335
Energy: 1.3323091479127085
Energy: 1.3781609965682393
Energy: 1.332309147904342
Energy: 1.3781609965639803
Energy: 1.332309147904342
Energy: 1.3781609965639803
Energy: 1.0664780498001336
Energy: 1.1203998488089988
Energy: 1.0664780497958746
Energy: 1.1203998484369357
Energy: 1.0664780497958746
Energy: 1.1203998486124715
Energy: 1.0774502177599528
Energy: 0.8218455283632558
Energy: 1.0774502177474796
Energy: 0.8218455283673626
Energy: 1.0774502177558458
Energy: 0.8218455283591486
Energy: 1.3333194112669116
Energy: 1.3471610820342876
Energy: 1.3333194112711706
Energy: 1.3471610820342876
Energy: 1.3333194112752778
Energy: 1.3471610820218145
Energy: 0.8111710131719677
Energy: 1.0686905717837283
Energy: 0.8111710131426103
Energy: 1.0686905717962014
Energy: 0.8111710131760747
Energy: 1.0686905717962014
Energy: 1.135062208913526
Energy: 1.0739391848516255
Energy: 1.135062208913526
Energy: 1.0739391848516255
Energy: 1.1350622089051599
Energy: 1.0739391848516255
Energy: 1.3276972988571474
Energy: 1.3416650094293898
Energy: 1.3276972988614064
Energy: 1.3416650094334968
Energy: 1.3276972988655136
Energy: 1.3416650094461218
Energy: 1.3240310127543555
Energy: 0.7685165488372506
Energy: 1.324031012808659
Energy: 0.7685165488413577
Energy: 1.3240310127584625
Energy: 0.7685165488372506
Energy: 0.8105735979676643
Energy: 0.866013901726854
Energy: 0.8105735979717713
Energy: 0.8660139017184879
Energy: 0.8105735979760303
Energy: 0.8660139017225947

minimum gb energy = 0.7162635198955816 eV
minimum distance =  2.365655189413 Angstroms
sigma value = 51


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

Energy: 1.2699353986613602
Energy: 1.193854638914494
Energy: 1.269935398660391
Energy: 1.1938546389164324
Energy: 1.2699353986632986
Energy: 1.193854638920133
Energy: 1.4977826266342182
Energy: 0.9753964244860306
Energy: 1.4977826265984457
Energy: 0.9753964244918458
Energy: 1.4977826265635543
Energy: 0.9753964244890264
Energy: 1.0708274359407404
Energy: 1.4286843619661314
Energy: 1.070827435938802
Energy: 1.428684361973885
Energy: 1.0708274359368635
Energy: 1.4286843619680698
Energy: 1.1490773139932058
Energy: 0.827931024713697
Energy: 1.1490773139990207
Energy: 0.827931024713697
Energy: 1.149077314000078
Energy: 0.8279310247128159
Energy: 1.1610458314919947
Energy: 1.1704865239362165
Energy: 1.1610458314891754
Energy: 1.1704865238063427
Energy: 1.1610458314997483
Energy: 1.1704865213660565
Energy: 1.1659259159581647
Energy: 1.1720690114584114
Energy: 1.1659259159475917
Energy: 1.1720690114614067
Energy: 1.1659259159514685
Energy: 1.1720690114497763
Energy: 1.1654217981809012
Energy: 1.1657391308547076
Energy: 1.1654217981800201
Energy: 1.165739130842196
Energy: 1.1654217981809012
Energy: 1.165739130860523
Energy: 1.0452032689383821
Energy: 1.1652996568441338
Energy: 1.045203268931686
Energy: 1.1652996568286265
Energy: 1.04520326892869
Energy: 1.165299656788977
Energy: 1.3101941115058922
Energy: 0.8252198618154339
Energy: -1.0886547082911966
Energy: 0.825219861816315
Energy: -1.1731785308592313
Energy: 0.8252198618173723
Energy: 0.9070438804966671
Energy: 1.4180921130630462
Energy: 0.9070438804956098
Energy: 1.4180921130591695
Energy: 0.907043880501425
Energy: 1.4180921130602266
Energy: 1.7950848471726855
Energy: 0.7860129587834388
Energy: 1.7950848471726855
Energy: 0.7860129587823814
Energy: 1.7950848471726855
Energy: 0.7860129587823814
Energy: 1.271564796799844
Energy: 1.2027354498071763
Energy: 1.2715647967959673
Energy: 1.2027354498062954
Energy: 1.271564796799844
Energy: 1.2027354497985419
Energy: 1.6284296169450216
Energy: 0.9713991568868503
Energy: 1.628429616945903
Energy: 0.9713991568849119
Energy: 1.6284296169439647
Energy: 0.9713991568896698
Energy: 1.0756135442913928
Energy: 1.1046133025200535
Energy: 1.0756135440415138
Energy: 1.1046133025114186
Energy: 1.075613543832165
Energy: 1.1046133024638394
Energy: 1.1398132050121697
Energy: 1.2936203038237561
Energy: 1.1398132050102312
Energy: 1.29362030383151
Energy: 1.139813205014108
Energy: 1.29362030383151
Energy: 1.1681408202131585
Energy: 1.4004023135442907
Energy: 1.168140820215097
Energy: 1.4004023135462291
Energy: 1.1681408202101624
Energy: 1.400402313545348
Energy: 1.1617650016302896
Energy: 1.32340410700977
Energy: 1.1617650016216547
Energy: 1.3234041069072102
Energy: 1.1617650016341665
Energy: 1.323404106596183
Energy: 1.0221746465815964
Energy: 1.186439895545166
Energy: 1.0221746465787769
Energy: 1.1864398955481619
Energy: 1.0221746465749002
Energy: 1.1864398955462234

minimum gb energy = -1.1731785308592313 eV
minimum distance =  2.39138414966723 Angstroms
sigma value = 19


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

Energy: 0.952908138050966
Energy: 0.7852222295083108
Energy: 0.952908138050966
Energy: 0.7852222295140601
Energy: 0.952908138050966
Energy: 0.7852222295083108
Energy: 1.155418813415572
Energy: 1.2467813296576344
Energy: 1.1554188134213212
Energy: 1.2467813296691326
Energy: 1.1554188134213212
Energy: 1.2467813296461363
Energy: 0.7372348296569935
Energy: 1.245614316843598
Energy: 0.7372348296569935
Energy: 1.2456143168549914
Energy: 0.7372348296627425
Energy: 1.2456143168607408
Energy: 0.9924769108082416
Energy: 0.7435875857509248
Energy: 0.9924769108082416
Energy: 0.7435875857509248
Energy: 0.9924769108024926
Energy: 0.7435875857566738
Energy: 0.8605334648607368
Energy: 1.1197977874665224
Energy: 0.8605334648607368
Energy: 1.1197977874895184
Energy: 0.8605334648607368
Energy: 1.1197977875010166
Energy: 0.8598260512886521
Energy: 1.1210813651183063
Energy: 0.8598260512829031
Energy: 1.1210813651183063
Energy: 0.8598260512829031
Energy: 1.1210813651125573
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.7376972037521593
Energy: 1.2457991961203365
Energy: 0.7376972037464102
Energy: 1.2457991961260855
Energy: 0.7376972037579084
Energy: 1.2457991961260855
Energy: 1.1559580845675537
Energy: 1.2476832149568189
Energy: 1.155958084561909
Energy: 1.2476832149683168
Energy: 1.1559580845561601
Energy: 1.2476832149625678
Energy: 0.9529081380452167
Energy: 0.7852222295083108
Energy: 0.952908138050966
Energy: 0.7852222295083108
Energy: 0.9529081380452167
Energy: 0.7852222295083108
Energy: 1.1554188134328194
Energy: 1.2467813296576344
Energy: 1.1554188134213212
Energy: 1.2467813296576344
Energy: 1.1554188134270702
Energy: 1.2467813296518853
Energy: 0.7372348296627425
Energy: 1.2456143168378488
Energy: 0.7372348296569935
Energy: 1.2456143168607408
Energy: 0.7372348296627425
Energy: 1.2456143168492424
Energy: 0.9924769108139906
Energy: 0.7435875857509248
Energy: 0.9924769108082416
Energy: 0.7435875857509248
Energy: 0.9924769108024926
Energy: 0.7435875857566738
Energy: 0.8605334648607368
Energy: 1.1197977874895184
Energy: 0.8605334648607368
Energy: 1.1197977874837692
Energy: 0.8605334648664861
Energy: 1.1197977874895184
Energy: 0.8598260512771541
Energy: 1.1210813651183063
Energy: 0.859826051259907
Energy: 1.1210813651183063
Energy: 0.8598260512656558
Energy: 1.1210813651125573
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.9925385950608673
Energy: 0.7434235049232876
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.7376972037464102
Energy: 1.2457991961088384
Energy: 0.7376972037464102
Energy: 1.2457991961260855
Energy: 0.7376972037464102
Energy: 1.2457991961145876
Energy: 1.1559580845733026
Energy: 1.2476832149683168
Energy: 1.1559580845733026
Energy: 1.2476832149740658
Energy: 1.1559580845848008
Energy: 1.2476832149568189
Energy: 0.9529081380452167
Energy: 0.7852222295083108
Energy: 0.9529081380452167
Energy: 0.7852222295140601
Energy: 0.9529081380452167
Energy: 0.7852222295083108
Energy: 1.1554188134385683
Energy: 1.2467813296633836
Energy: 1.1554188134443175
Energy: 1.2467813296576344
Energy: 1.1554188134328194
Energy: 1.2467813296633836
Energy: 0.7372348296569935
Energy: 1.2456143168492424
Energy: 0.7372348296627425
Energy: 1.2456143168607408
Energy: 0.7372348296627425
Energy: 1.2456143168549914
Energy: 0.9924769108139906
Energy: 0.7435875857566738
Energy: 0.9924769108024926
Energy: 0.7435875857566738
Energy: 0.9924769108082416
Energy: 0.7435875857509248
Energy: 0.8605334648664861
Energy: 1.1197977874952676
Energy: 0.8605334648607368
Energy: 1.1197977874837692
Energy: 0.8605334648607368
Energy: 1.1197977874952676
Energy: 0.8598260512656558
Energy: 1.1210813651068081
Energy: 0.859826051259907
Energy: 1.1210813651240554
Energy: 0.8598260512656558
Energy: 1.1210813651240554
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.9925385950551184
Energy: 0.7434235049232876
Energy: 0.9925385950493691
Energy: 0.7434235049232876
Energy: 0.7376972037464102
Energy: 1.2457991961318344
Energy: 0.7376972037464102
Energy: 1.2457991961260855
Energy: 0.7376972037521593
Energy: 1.2457991961203365
Energy: 1.1559580845790518
Energy: 1.2476832149625678
Energy: 1.1559580845675537
Energy: 1.2476832149740658
Energy: 1.1559580845790518
Energy: 1.2476832149740658
Energy: 0.9529081380452167
Energy: 0.7852222295083108
Energy: 0.9529081380452167
Energy: 0.7852222295140601
Energy: 0.952908138050966
Energy: 0.7852222295083108
Energy: 1.1554188134385683
Energy: 1.2467813296576344
Energy: 1.1554188134385683
Energy: 1.2467813296633836
Energy: 1.1554188134270702
Energy: 1.2467813296518853
Energy: 0.7372348296627425
Energy: 1.2456143168492424
Energy: 0.7372348296569935
Energy: 1.2456143168549914
Energy: 0.7372348296512444
Energy: 1.2456143168492424

minimum gb energy = 0.7372348296512444 eV
minimum distance =  2.36909717615614 Angstroms
sigma value = 27


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

Energy: 1.4379721395195086
Energy: 0.8198978967444969
Energy: 1.4379721395195086
Energy: 0.8198978967444969
Energy: 1.437972139516692
Energy: 0.8198978967444969
Energy: 1.8155069780143644
Energy: 0.8625254258294891
Energy: 1.8155069780073234
Energy: 0.8625254258294891
Energy: 1.8155069780073234
Energy: 0.862525425835122
Energy: 0.9152988713164536
Energy: 1.282947658995926
Energy: 0.8136733620646793
Energy: 1.282947659001559
Energy: 0.8136733620632709
Energy: 1.2829476589973343
Energy: 1.1703181721910525
Energy: 0.8041579722738601
Energy: 1.1703181721882363
Energy: 0.804157972272452
Energy: 1.1703181721896443
Energy: 0.8041579722738601
Energy: 1.1634425287206276
Energy: 0.7912973145915638
Energy: 1.1634425287234438
Energy: 0.7912973145957886
Energy: 1.163442528706545
Energy: 0.7912973145859309
Energy: 1.0947330298034328
Energy: 1.2213209676061834
Energy: 1.094733029786534
Energy: 1.221320967610408
Energy: 1.0947330298020246
Energy: 1.2213209676118162
Energy: 0.9149911304763856
Energy: 0.8623625452288698
Energy: 0.5341417756748524
Energy: 0.862362545230278
Energy: 0.5341417756748524
Energy: 0.8623625452288698
Energy: 0.9404421246971326
Energy: 0.8218510506702361
Energy: 0.9404421247013574
Energy: 0.8218510506716444
Energy: 0.9404421247027656
Energy: 0.8218510506660115
Energy: 1.209972704003245
Energy: 0.7708895688811012
Energy: 1.2099726974734348
Energy: 0.7708895688698354
Energy: 1.2099726714088588
Energy: 0.770889568867019
Energy: 0.899361482292322
Energy: 1.250629481357217
Energy: 0.8993614822937303
Energy: 1.250629481365666
Energy: 0.8993614822909138
Energy: 1.2506294814557926
Energy: 0.7764053107735935
Energy: 0.7896151262167758
Energy: 0.7764053107792265
Energy: 0.7896151262167758
Energy: 0.9809021907967187
Energy: 0.7896151262181841
Energy: 1.1148721677854052
Energy: 1.0780220989811922
Energy: 1.1148721678234272
Energy: 1.0780220990614608
Energy: 1.1148721678262437
Energy: 1.0780220990318883

minimum gb energy = 0.5341417756748524 eV
minimum distance =  2.34666564470032 Angstroms
sigma value = 9


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

Energy: 1.0959650579610591
Energy: 0.9969534686621794
Energy: 1.095965057964944
Energy: 0.9969534686582946
Energy: 1.0959650579570306
Energy: 0.9969534686542658
Energy: 1.4626958813773152
Energy: 1.0119379183304693
Energy: 1.4626958813535746
Energy: 1.0119929837668256
Energy: 1.4626958813694018
Energy: 0.9142659195510274
Energy: 0.7445564918622062
Energy: 1.3670883159969147
Energy: 0.7445564918622062
Energy: 1.3670883159810878
Energy: 0.7445564918701197
Energy: 1.3670883159851164
Energy: 0.8946589901174445
Energy: 0.8117568131308293
Energy: 0.8946589901135595
Energy: 0.8117568131387426
Energy: 0.8946589901135595
Energy: 0.8117568131308293
Energy: 0.7429813943587112
Energy: 0.924516225496538
Energy: 0.7429813943706535
Energy: 0.9245162254926532
Energy: 0.7429813943666248
Energy: 0.924516225496538
Energy: 0.996506841631189
Energy: 1.0683808961778922
Energy: 0.9965068416470161
Energy: 1.068160056027803
Energy: 0.9965068416510448
Energy: 0.5811771244805986
Energy: 0.9582641404303607
Energy: 0.8486165858433938
Energy: 0.9582641404224471
Energy: 0.8486165858433938
Energy: 0.9582641404224471
Energy: 0.8486165858829616
Energy: 0.732638243037635
Energy: 0.9223333066492797
Energy: 0.732638243037635
Energy: 0.9223333066295679
Energy: 0.732638243037635
Energy: 0.9223333066533084
Energy: 1.409178433400559
Energy: 0.9244155509302779
Energy: 1.4091782593048379
Energy: 0.9244155509302779
Energy: 1.409177190624718
Energy: 0.9244155509302779
Energy: 0.9752167970450538
Energy: 1.4339842511412684
Energy: 0.9752167970450538
Energy: 1.4339842511333551
Energy: 0.9752167970489385
Energy: 1.4339842511373837
Energy: 0.8270494093080857
Energy: 0.8047771376943241
Energy: 0.8270494093042009
Energy: 0.8047771376943241
Energy: 0.8270494093042009
Energy: 0.804777137698353
Energy: 0.7235789985962006
Energy: 1.0127283634981308
Energy: 0.7235789985962006
Energy: 1.0185095279853251
Energy: 0.7235789985921718
Energy: 1.0127283635060444
Energy: 0.9991311721448792
Energy: 0.9282684627720728
Energy: 0.9979846944664263
Energy: 0.9282684627799863
Energy: 0.4476409613367686
Energy: 0.9282684627878999
Energy: 1.1166491882328957
Energy: 1.1096141155537933
Energy: 1.1166491882288672
Energy: 1.0387720975396935
Energy: 1.1166491882288672
Energy: 1.1096141155418509
Energy: 0.7812550386966136
Energy: 0.8253040170952428
Energy: 0.7812550387004984
Energy: 0.8253040171070412
Energy: 0.781255038704527
Energy: 0.8253040171110698
Energy: 1.1197757776717419
Energy: 0.9933062313685282
Energy: 1.119775789868953
Energy: 0.9933062313685282
Energy: 1.1197758077377264
Energy: 0.9933062313606147
Energy: 1.0810322611525671
Energy: 1.2575182226786434
Energy: 1.0810322611485383
Energy: 1.257518222464978
Energy: 1.0810322611446535
Energy: 1.2575182204875999
Energy: 0.778769046560935
Energy: 0.7560365956520906
Energy: 0.7787690465649636
Energy: 0.7560365956520906
Energy: 0.7787690465649636
Energy: 0.7560365956482058
Energy: 0.7407211089594856
Energy: 1.1668183351637105
Energy: 0.7407211089635144
Energy: 1.1668183351637105
Energy: 0.7407211089635144
Energy: 1.1668183351637105
Energy: 1.223754144292679
Energy: 0.9062833915557487
Energy: 1.2237541442808804
Energy: 0.2901164984611106
Energy: 1.2237541442847655
Energy: 0.8951732960511052
Energy: 0.741043625915744
Energy: 1.1459094333637614
Energy: 0.741043625915744
Energy: 1.1459094333558477
Energy: 0.7410436259118592
Energy: 1.1459094333558477
Energy: 0.7784696341514973
Energy: 0.7556662147573888
Energy: 0.7784696341514973
Energy: 0.7556662147573888
Energy: 0.7784696341555262
Energy: 0.75566621475336
Energy: 1.0820466841730876
Energy: 1.2573261580779678
Energy: 1.0820466841730876
Energy: 1.2573261573542387
Energy: 1.0820466841690588
Energy: 1.257326154858596
Energy: 1.120461363415083
Energy: 1.0516016344818278
Energy: 1.1204613540417108
Energy: 1.051601634493626
Energy: 1.1204613507037797
Energy: 1.0516016344818278
Energy: 0.7811834495114033
Energy: 0.8257139351423581
Energy: 0.7811834495114033
Energy: 0.8257139351463868
Energy: 0.7811834495034897
Energy: 0.8257139351423581
Energy: 1.11697564671176
Energy: 0.9639031224055645
Energy: 1.1169756467157888
Energy: 0.9639031224095931
Energy: 1.11697564671176
Energy: 0.9639031224055645
Energy: 0.9953211663963653
Energy: 0.9281995316801899
Energy: -2.9982407014159445
Energy: 0.9281995316919883
Energy: 0.4481921954690017
Energy: 0.9281995317039305
Energy: 0.8432749860261445
Energy: 0.901148220866851
Energy: 0.8432749860261445
Energy: 0.9208672519319314
Energy: 0.8432749860261445
Energy: 0.9011481975046421
Energy: 0.8272841070574306
Energy: 0.8038444820342655
Energy: 0.8272841070574306
Energy: 0.8038444820421791
Energy: 0.8272841070574306
Energy: 0.8038444820381502
Energy: 0.8468029764048641
Energy: 1.419646634230538
Energy: 0.8468029763811235
Energy: 1.4196466342226244
Energy: 0.8468029764008352
Energy: 1.4196466342226244
Energy: 1.4086226079685507
Energy: 0.9247045992985754
Energy: 1.4086226084550177
Energy: 0.9247045992985754
Energy: 1.4086221299657011
Energy: 0.9247045992985754
Energy: 0.7320930353647859
Energy: 0.8452428148477807
Energy: 0.7320930353647859
Energy: 0.845242814828069
Energy: 0.7320930353647859
Energy: 0.8452428148477807
Energy: 0.9468961708170541
Energy: 0.8483648150770333
Energy: 0.9468961708170541
Energy: 0.8483648150691198
Energy: 0.9468961708170541
Energy: 0.8483648150810622
Energy: 0.989298796490451
Energy: 0.9540715370698979
Energy: 0.9892987964746239
Energy: 1.1660714312652984
Energy: 0.989298796490451
Energy: 1.1660712435247642
Energy: 0.7434059788528937
Energy: 0.9238950046518015
Energy: 0.7434059788608073
Energy: 0.9238950046477726
Energy: 0.7434059788370666
Energy: 0.9238950046518015
Energy: 0.8946594258887527
Energy: 0.8077238158868905
Energy: 0.8946594258848678
Energy: 0.8077238158789769
Energy: 0.8946594258808391
Energy: 0.8077238158830057
Energy: 0.7463269733740956
Energy: 1.3667693524737659
Energy: 0.7463269733781241
Energy: 1.3667693524540538
Energy: 0.7463269733781241
Energy: 1.366769352469881
Energy: 1.388523412384059
Energy: 0.9560973216424655
Energy: 1.388523412036007
Energy: 1.0880727018979097
Energy: 1.388523412261471
Energy: 1.0695739362393315
Energy: 1.095965057964944
Energy: 0.9969534686621794
Energy: 1.0959650579570306
Energy: 0.996953468650381
Energy: 1.0959650579610591
Energy: 0.9969534686700928
Energy: 1.4626958813694018
Energy: 0.9142659195550562
Energy: 1.4626958813734305
Energy: 0.9142659195510274
Energy: 1.462695881361488
Energy: 0.9142659195550562
Energy: 0.7445564918581774
Energy: 1.3670883159731744
Energy: 0.7445564918542925
Energy: 1.3670883159692893
Energy: 0.7445564918581774
Energy: 1.3670883159652607
Energy: 0.8946589901135595
Energy: 0.8117568131308293
Energy: 0.8946589901135595
Energy: 0.8117568131308293
Energy: 0.8946589901135595
Energy: 0.8117568131348579
Energy: 0.7429813943627399
Energy: 0.924516225496538
Energy: 0.7429813943627399
Energy: 0.924516225496538
Energy: 0.7429813943706535
Energy: 0.924516225496538

minimum gb energy = -2.9982407014159445 eV
minimum distance =  2.37520781719463 Angstroms
sigma value = 57


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

Energy: 0.6223904901989408
Energy: 0.6347437687963361
Energy: 0.6223904902033623
Energy: 0.6347437688035419
Energy: 0.6223904902025436
Energy: 0.634743768797155
Energy: 0.7412761408818774
Energy: 0.9211969976116366
Energy: 0.7412761408782745
Energy: 0.9211969975980443
Energy: 0.7412761408792571
Energy: 0.9211969975998457
Energy: 0.6989089818254753
Energy: 0.7187101811305218
Energy: 0.6989089818262941
Energy: 0.7187101811369084
Energy: 0.6989089818164684
Energy: 0.7187101811315043
Energy: 0.6250153664148677
Energy: 0.6343733524089541
Energy: 0.6250153664112649
Energy: 0.6343733524099366
Energy: 0.6250153664112649
Energy: 0.6343733524099366
Energy: 0.740784013304683
Energy: 0.7449464830994119
Energy: 0.7407840133064846
Energy: 0.7449464830940077
Energy: 0.7407840133073034
Energy: 0.7449464830994119
Energy: 0.6359743556191296
Energy: 0.676272879389682
Energy: 0.6359743556191296
Energy: 0.6762728793978701
Energy: 0.6359743556191296
Energy: 0.6762728793932847
Energy: 0.635801505307682
Energy: 0.6754596914508821
Energy: 0.6358015053030965
Energy: 0.675459691459889
Energy: 0.635801505307682
Energy: 0.675459691462673
Energy: 0.7412037144407456
Energy: 0.7395283978321391
Energy: 0.7412037144381253
Energy: 0.739528397817728
Energy: 0.7412037144381253
Energy: 0.7395283978123236
Energy: 0.6235429653525338
Energy: 0.6342416952021367
Energy: 0.6235429653859417
Energy: 0.6342416951977151
Energy: 0.6235429653517149
Energy: 0.6342416952013179
Energy: 0.6991160849624697
Energy: 0.717583479708825
Energy: 0.699116084961487
Energy: 0.7175834797044032
Energy: 0.6991160849632885
Energy: 0.7175834797062045
Energy: 0.7407266892462698
Energy: 0.9195671833546135
Energy: 0.740726689242667
Energy: 0.919567183359854
Energy: 0.740726689245451
Energy: 0.9195671833616555
Energy: 0.622390490204345
Energy: 0.6347437687963361
Energy: 0.6223904902033623
Energy: 0.6347437688007578
Energy: 0.6223904902033623
Energy: 0.6347437687989563
Energy: 0.7412761408792571
Energy: 0.9211969975962429
Energy: 0.7412761408800759
Energy: 0.9211969976016472
Energy: 0.74127614088286
Energy: 0.9211969976034485
Energy: 0.6989089818316985
Energy: 0.7187101811333056
Energy: 0.698908981829897
Energy: 0.7187101811341245
Energy: 0.6989089818280957
Energy: 0.7187101811297029
Energy: 0.6250153664122474
Energy: 0.6343733524089541
Energy: 0.6250153664140488
Energy: 0.6343733524089541
Energy: 0.6250153663950522
Energy: 0.6343733524081353
Energy: 0.7407840133028817
Energy: 0.744946483096628
Energy: 0.7407840133082859
Energy: 0.7449464830976105
Energy: 0.7407840133055019
Energy: 0.7449464830994119
Energy: 0.635974355620931
Energy: 0.6762728793834589
Energy: 0.6359743556227325
Energy: 0.6762728793870617
Energy: 0.635974355620931
Energy: 0.6762728793942673
Energy: 0.6358015053058805
Energy: 0.6754596914482619
Energy: 0.6358015053040791
Energy: 0.675459691435652
Energy: 0.6358015053030965
Energy: 0.675459691435652
Energy: 0.7412037144381253
Energy: 0.7395283978115048
Energy: 0.7412037144399268
Energy: 0.7395283978349231
Energy: 0.7412037144399268
Energy: 0.7395283978151076

minimum gb energy = 0.6223904901989408 eV
minimum distance =  2.50784351292264 Angstroms
sigma value = 11


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

Energy: 0.8969329608957642
Energy: 1.0103146736986244
Energy: 0.8969329608892864
Energy: 1.0103146736986244
Energy: 0.8969329608957642
Energy: 1.0103146736986244
Energy: 1.142086843576685
Energy: 0.7270801580828824
Energy: 1.1420868435699674
Energy: 0.7270801580893602
Energy: 1.1420868435699674
Energy: 0.7270801580828824
Energy: 0.8689574991071077
Energy: -3.1617489199221693
Energy: 0.8689574991071077
Energy: -1.9885892916482923
Energy: 0.8689574991071077
Energy: -3.475998094377839
Energy: 1.2670484863866245
Energy: 0.7907892570855949
Energy: 1.2670484863998202
Energy: 0.7907892570855949
Energy: 1.2670484863866245
Energy: 0.7907892570855949
Energy: 0.9941987680543315
Energy: 0.621193701325972
Energy: 0.9941987680543315
Energy: 0.6211937012995805
Energy: 0.9941987680543315
Energy: 0.6211937013324497
Energy: 1.0124014056573012
Energy: 0.7062292566887379
Energy: 1.0124014056508233
Energy: 0.7062292567743899
Energy: 1.0124014056508233
Energy: 0.7062292567019336
Energy: 0.6591886326826573
Energy: 1.2082344903788431
Energy: 0.6591886326826573
Energy: 1.2082344903855609
Energy: 0.6591886327025707
Energy: 1.2082344903788431
Energy: 0.950403109029233
Energy: 0.6148089758938825
Energy: 0.950403109029233
Energy: 0.6148089759006002
Energy: 0.950403109029233
Energy: 0.6148089759006002
Energy: 1.0008890048296377
Energy: 0.6089997745571447
Energy: 1.00088900482292
Energy: 0.6089997745571447
Energy: 1.00088900482292
Energy: 0.6089997745571447
Energy: 0.6430659213952459
Energy: 1.1794154889488968
Energy: 0.6430659214019638
Energy: 1.1794154889488968
Energy: 0.6430659214019638
Energy: 1.1794154889488968
Energy: 1.0355530954472998
Energy: 1.2189205168541926
Energy: 1.0355503665356942
Energy: 1.2189205168477146
Energy: 1.0355471734943862
Energy: 1.2189205168477146
Energy: 0.9447768000287146
Energy: 0.6096262366712264
Energy: 0.9447768000351925
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Energy: 0.9447768000287146
Energy: 0.6096262366712264
Energy: 0.945309134259418
Energy: 0.8240639479444948
Energy: 0.945309134259418
Energy: 0.8240639479509727
Energy: 0.94530913425294
Energy: 0.8240639479576904
Energy: 0.9633211999775507
Energy: 1.2110399020174418
Energy: 0.9633211999708329
Energy: 1.2110399019910505
Energy: 0.9633211999775507
Energy: 1.2110399018790072
Energy: 1.1374686492910209
Energy: 0.869732865733029
Energy: 1.137468649284303
Energy: 0.8697328657265511
Energy: 1.1374686492646293
Energy: 0.869732865733029
Energy: 0.9066222240288341
Energy: 0.9683218726151441
Energy: 0.9066222240223565
Energy: 0.9683218726084264
Energy: 0.9066222240223565
Energy: 0.9683218726084264
Energy: 0.8177251444913672
Energy: 0.7693614622866904
Energy: 0.8177251444913672
Energy: 0.7693614622866904
Energy: 0.8177251444913672
Energy: 0.7693614622866904
Energy: 1.162060102046206
Energy: 1.297131862725248
Energy: 1.162060102046206
Energy: 1.2971318619534213
Energy: 1.1620601020529238
Energy: 1.2971318604301616
Energy: 1.1408791459605379
Energy: 0.8048730823932946
Energy: 1.1408791459540601
Energy: 0.8048730824064902
Energy: 1.1408791459672558
Energy: 0.8048730823932946
Energy: 0.9506856475209056
Energy: 0.8501548068382027
Energy: 0.9506856475276233
Energy: 0.8501548068250069
Energy: 0.9506856475408191
Energy: 0.8501548068382027
Energy: 0.6513687508650892
Energy: 0.9220517144792678
Energy: 0.6513687508451756
Energy: 0.9220517144792678
Energy: 0.6513687508650892
Energy: 0.9220517144792678
Energy: 1.1408119363168006
Energy: 1.1815218070961309
Energy: 1.1408119363299962
Energy: 1.1815218070894131
Energy: 1.1408119363168006
Energy: 1.1815218070894131
Energy: 1.021811902474972
Energy: 0.8791728994939076
Energy: 1.0218119024617762
Energy: 0.8791728995135811
Energy: 1.0218119024617762
Energy: 0.8791728994939076
Energy: 0.9652429756470848
Energy: 0.7711369125683929
Energy: 0.9652429756470848
Energy: 0.7711369125683929
Energy: 0.9652429756470848
Energy: 0.7711369125683929
Energy: 0.6514133370156446
Energy: 1.1871127601372753
Energy: 0.6514133370156446
Energy: 1.1871127601307974
Energy: 0.6514133370223624
Energy: 1.1871127601372753
Energy: -3.790309909391942
Energy: 1.1886080298415762
Energy: 0.07334787979337155
Energy: 1.1886080298415762
Energy: -3.5485135613048318
Energy: 1.188608029848054

minimum gb energy = -3.790309909391942 eV
minimum distance =  2.39929642743957 Angstroms
sigma value = 41


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

Energy: 0.9616514360678884
Energy: 0.7006516305207979
Energy: 0.9616514360678884
Energy: 0.7006516305207979
Energy: 0.9616514360626882
Energy: 0.7006516305155978
Energy: 1.0032443409230538
Energy: 0.9779359895709993
Energy: 1.003244340928254
Energy: 0.9779359895657991
Energy: 1.0032443409230538
Energy: 0.9779359895657991
Energy: 0.9442811813475097
Energy: 1.3444312339168214
Energy: 0.9442811813475097
Energy: 1.3444312334230846
Energy: 0.9442811813475097
Energy: 1.3444312310164253
Energy: 1.0146404000432185
Energy: 0.6963664360920169
Energy: 1.0146404000432185
Energy: 0.6963664360972172
Energy: 1.0146404000432185
Energy: 0.6963664360972172
Energy: 0.555873250482932
Energy: 0.7472264756529821
Energy: 0.5558732504985326
Energy: 0.7472264756529821
Energy: 0.555873250482932
Energy: 0.7472264756529821
Energy: 1.0270987595459289
Energy: 1.225280640974812
Energy: 1.0270987595407286
Energy: 1.2252806409644117
Energy: 1.0270987595407286
Energy: 1.2252806409800123
Energy: 0.6969802775847151
Energy: 1.2346706715576603
Energy: 0.6969802776419175
Energy: 1.2346706715576603
Energy: 0.6969802776575182
Energy: 1.2346706715628606
Energy: 0.594305979223097
Energy: 0.696803942340748
Energy: 0.594305979223097
Energy: 0.696803942340748
Energy: 0.594305979223097
Energy: 0.6968039423459482
Energy: 0.603694531836232
Energy: 0.7396417278188916
Energy: 0.6036945318414322
Energy: 0.7396417278188916
Energy: 0.6036945318414322
Energy: 0.7396417278188916
Energy: 0.8186887105604693
Energy: 1.3282995669719995
Energy: 0.8186887105604693
Energy: 1.3282995669719995
Energy: 0.8186887105604693
Energy: 1.3282995669719995
Energy: 0.8029278884313727
Energy: 1.3882452495074311
Energy: 0.8029278884313727
Energy: 1.3882452495022308
Energy: 0.8029278884365729
Energy: 1.3882452495022308
Energy: 0.5940844965821781
Energy: 0.9272006682410043
Energy: 0.5940844965873783
Energy: 0.9998614941031424
Energy: 0.5940844965769778
Energy: 0.8745527579530973
Energy: 0.5967387793068456
Energy: 0.7213057768720388
Energy: 0.5967387793016453
Energy: 0.7213057768668386
Energy: 0.5967387793068456
Energy: 0.7213057768668386
Energy: 0.572133919657969
Energy: 1.1827337118283439
Energy: 0.5721339196527688
Energy: 1.1827337118231438
Energy: 0.572133919657969
Energy: 1.1827337118231438
Energy: 0.9633376011102857
Energy: 1.0945146476656116
Energy: 0.9633376011154858
Energy: 1.0945138867910194
Energy: 0.963337601120686
Energy: 1.0945126360189636
Energy: 0.6003958851587688
Energy: 0.8695164784101406
Energy: 0.600395885163969
Energy: 0.8695164784153409
Energy: 0.6003958851587688
Energy: 0.8695164784101406
Energy: 0.6144065425887044
Energy: 0.7211820518481995
Energy: 0.6144065425887044
Energy: 0.7211820518481995
Energy: 0.6144065425887044
Energy: 0.7211820518481995
Energy: 0.8145223495990488
Energy: 1.351510055005646
Energy: 0.8145223495938485
Energy: 1.3515100549537384
Energy: 0.8145223495990488
Energy: 1.3515100548393337
Energy: 1.0033657490998422
Energy: 0.9737287420537091
Energy: 1.0033657490998422
Energy: 0.9737287420589094
Energy: 1.0033657490946422
Energy: 0.9737287420589094
Energy: 0.9062230805600577
Energy: 1.1762039730754195
Energy: 0.9062230805600577
Energy: 1.2456604768110664
Energy: 0.9062230805600577
Energy: 0.8907417906249053
Energy: 0.5842460424510862
Energy: 1.0762712371978027
Energy: 0.5842460424510862
Energy: 1.0762712371978027
Energy: 0.584246042445886
Energy: 1.0762712371926024
Energy: 0.8622523103112695
Energy: 1.3379198431008508
Energy: 0.8622523103060692
Energy: 1.337919843106051
Energy: 0.8622523103112695
Energy: 1.337919843106051
Energy: 0.9900714096607703
Energy: 0.7036710874228442
Energy: 0.9900714096607703
Energy: 0.7036710874228442
Energy: 0.9900714096555701
Energy: 0.703671087438445
Energy: 0.6011844763702511
Energy: 1.2312386046171924
Energy: 0.6011844763702511
Energy: 1.0649846161766778
Energy: 0.6011844763702511
Energy: 0.877578126376221
Energy: 0.5923748061976455
Energy: 1.058539824187385
Energy: 0.5923748062028457
Energy: 1.058539824187385
Energy: 0.5923748062028457
Energy: 1.058539824187385
Energy: 0.8406490641594873
Energy: 0.7377514730381878
Energy: 0.8406490641594873
Energy: 0.9437952519598901
Energy: 0.8406490641594873
Energy: 1.0295752552023658
Energy: 0.5860043081539644
Energy: 0.691223319089893
Energy: 0.5860043081539644
Energy: 0.6912233191002934
Energy: 0.5860043081539644
Energy: 0.6912233190950933
Energy: 0.6153152049144501
Energy: 1.2185433392276628
Energy: 0.6153152049196503
Energy: 1.2185913334150353
Energy: 0.6153152049196503
Energy: 0.9898095559370458
Energy: 0.8351714271964051
Energy: 1.0296832052852563
Energy: 0.8351714272016053
Energy: 1.0296832052800562
Energy: 0.8351714271964051
Energy: 1.0296832052852563
Energy: 1.1188650373558344
Energy: 0.9397855452242424
Energy: 1.1188650373558344
Energy: 1.0425042747203876
Energy: 1.1188650373558344
Energy: 1.0733408400647046
Energy: 0.593159031807643
Energy: 0.8784881526844895
Energy: 0.5931590316672373
Energy: 0.8784881526896898
Energy: 0.5931590317920424
Energy: 0.87848815269489
Energy: 0.6205396704832696
Energy: 0.721657630230689
Energy: 0.6205396704832696
Energy: 0.721657630230689
Energy: 0.6205396704832696
Energy: 0.721657630230689
Energy: 0.5715959144530118
Energy: 0.896419935970679
Energy: 0.5715959144478115
Energy: 0.8964199359862797
Energy: 0.5715959144530118
Energy: 0.8964199359810795

minimum gb energy = 0.555873250482932 eV
minimum distance =  2.41396416080742 Angstroms
sigma value = 33


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

Energy: 0.8009823905232086
Energy: 0.6197712915154019
Energy: 0.8009823905194928
Energy: 0.6197712915191178
Energy: 0.8009823905194928
Energy: 0.6197712915154019
Energy: 1.173245767257563
Energy: 0.4209262132334283
Energy: 1.1732457672539796
Energy: 0.42092621324072754
Energy: 1.1732457672539796
Energy: 0.42092621324072754
Energy: 1.1224894936855863
Energy: 1.368278762108101
Energy: 1.1224894936855863
Energy: 1.368278762108101
Energy: 1.1224894936855863
Energy: 1.368278762108101
Energy: 1.069658313324985
Energy: 0.5533656120956657
Energy: 1.0696583133141024
Energy: 0.5533656121139799
Energy: 1.0696583133214017
Energy: 0.5533656120883665
Energy: 0.5448254955119951
Energy: 1.316130177720148
Energy: 0.5448254955082792
Energy: 1.3161301777165646
Energy: 0.5448254955119951
Energy: 1.316130177720148
Energy: 1.0344967814458268
Energy: 0.5893780368632903
Energy: 1.0344967814385277
Energy: 0.5893780368924868
Energy: 1.0344967814458268
Energy: 0.5893780368814717
Energy: 0.8280575461695808
Energy: 1.0236441560269542
Energy: 0.8280575461731641
Energy: 1.0236441560269542
Energy: 0.8280575461731641
Energy: 1.0236441560232383
Energy: 0.782507621572437
Energy: 0.8107751154361342
Energy: 0.7825076215760203
Energy: 0.8107751154361342
Energy: 0.7825076215687211
Energy: 0.810775115432551
Energy: 1.317137712795474
Energy: 0.6133514088449339
Energy: 1.317137712795474
Energy: 0.6133514088376348
Energy: 1.317137712791891
Energy: 0.6133514088486499
Energy: 1.1708986471045382
Energy: 0.44291566563635776
Energy: 1.1708986471045382
Energy: 0.44291566563635776
Energy: 1.1708986471045382
Energy: 0.44291566563635776
Energy: 0.7360751975298968
Energy: 0.7300422485931467
Energy: 0.7360751975298968
Energy: 0.7300422485931467
Energy: 0.7360751975298968
Energy: 0.7300422485822643
Energy: 1.2017613739119017
Energy: 0.5573469686493205
Energy: 1.2017613739119017
Energy: 0.5573469686420214
Energy: 1.2017613738973034
Energy: 0.5573469686493205
Energy: 0.5712274799295393
Energy: 1.3247170113609055
Energy: 0.5712274799222402
Energy: 1.3247170113682043
Energy: 0.5712274799149409
Energy: 1.3247170113682043
Energy: 0.8245968804781395
Energy: 0.7512251869940448
Energy: 0.8245968804781395
Energy: 0.7512251869940448
Energy: 0.8245968804744237
Energy: 0.7512251869904616
Energy: 0.7922102366263472
Energy: 0.8249189117152844
Energy: 0.7922102366190479
Energy: 0.8249189117188677
Energy: 0.7922102366227639
Energy: 0.8249189117188677
Energy: 0.7057369624712032
Energy: 1.0093040826158
Energy: 0.7057369624712032
Energy: 1.0093040826158
Energy: 0.7057369624674872
Energy: 1.0093040826449964
Energy: 1.3171843048959133
Energy: 0.5786626581182268
Energy: 1.3171843048848983
Energy: 0.5786626581182268
Energy: 1.3171843048848983
Energy: 0.5786626581219428
Energy: 0.5745477397377136
Energy: 0.8583964678950913
Energy: 0.5745477397377136
Energy: 0.8583964679023905
Energy: 0.5745477397377136
Energy: 0.8583964678988073
Energy: 1.1675359835662749
Energy: 0.8380837609844295
Energy: 1.1675359835662749
Energy: 0.8380837609807137
Energy: 1.1675359835662749
Energy: 0.8380837609844295
Energy: 1.3191018185497194
Energy: 0.6040003757983667
Energy: 1.3191018185460035
Energy: 0.6040003758020827
Energy: 1.3191018185497194
Energy: 0.6040003758020827
Energy: 0.5558631208191999
Energy: 0.8068340970597391
Energy: 0.5558631208119007
Energy: 0.8068340970633223
Energy: 0.5558631208229157
Energy: 0.8068340970597391
Energy: 0.40139702145767375
Energy: 1.1708636036637594
Energy: 0.40139702145037465
Energy: 1.170863603667475
Energy: 0.40139702145037465
Energy: 1.1708636036637594
Energy: 0.9971249828880786
Energy: 0.9527292670295
Energy: -0.10896232779389407
Energy: 0.9527292670295
Energy: 0.15287129910613081
Energy: 0.9527292670295
Energy: 0.6053488668569739
Energy: 1.0829014924171814
Energy: 0.6053488668569739
Energy: 1.0829014923844016
Energy: 0.6053488668533906
Energy: 1.0829014923917006
Energy: 1.3237937548994356
Energy: 0.5099491899816943
Energy: 1.3237937549067347
Energy: 0.5099491900146068
Energy: 1.3237937549031518
Energy: 0.5099491900219059
Energy: 0.5807473288101085
Energy: 1.0379194662181384
Energy: 0.5807473288065252
Energy: 1.0379194662364526
Energy: 0.5807473288101085
Energy: 1.0379194662364526
Energy: 1.1594171858163316
Energy: 0.6163456822881046
Energy: 1.1594171858090325
Energy: 0.6163456822843887
Energy: 1.1594171858127487
Energy: 0.6163456822881046
Energy: 0.7515602989133099
Energy: 0.5497289051874625
Energy: 0.7515602989206092
Energy: 0.5497289051838793
Energy: 0.751560298924325
Energy: 0.5497289051874625
Energy: 0.6245215463676805
Energy: 1.3277474993270224
Energy: 0.6245215463603814
Energy: 1.327747499323439
Energy: 0.6245215463639646
Energy: 1.3277474993270224
Energy: 0.41770610094228733
Energy: 1.1769589996216547
Energy: 0.4177061009351209
Energy: 1.1769589996982295
Energy: 0.41770610093870414
Energy: 1.1769589997055283
Energy: 0.8653268534343136
Energy: 0.5641603684585438
Energy: 0.8653268534416128
Energy: 0.5641603684585438
Energy: 0.8653268534305976
Energy: 0.5641603684585438
Energy: 0.6057877983179158
Energy: 1.2441210874858677
Energy: 0.6057877983141999
Energy: 1.2441210874858677
Energy: 0.6057877983179158
Energy: 1.2441210874931667
Energy: 1.3179522991613573
Energy: 0.5718278898041294
Energy: 1.3179522991504753
Energy: 0.5718278898041294
Energy: 1.3179522991540584
Energy: 0.5718278898005461
Energy: 0.7402403620233745
Energy: 0.7973225593485085
Energy: 0.7402403620306736
Energy: 0.7973225593412093
Energy: 0.7402403620634532
Energy: 0.7973225593412093
Energy: 0.7764209861919614
Energy: 0.798708589540043
Energy: 0.776420986181079
Energy: 0.798708589543759
Energy: 0.7764209862102757
Energy: 0.798708589540043
Energy: 1.3182413274397822
Energy: 0.583385072475904
Energy: 1.3182413274433655
Energy: 0.5833850724832031
Energy: 1.3182413274433655
Energy: 0.5833850724796199
Energy: 0.6045129132120713
Energy: 1.2433651057671085
Energy: 0.6045129132193704
Energy: 1.2433651057671085
Energy: 0.6045129132157872
Energy: 1.2433651057671085
Energy: 0.8655938204344661
Energy: 0.5642786745284029
Energy: 0.8655938204380493
Energy: 0.5642786745284029
Energy: 0.8655938204344661
Energy: 0.5642786745319861
Energy: 0.4169891546621716
Energy: 1.1751038893667667
Energy: 0.41698915467318665
Energy: 1.1751038893667667
Energy: 0.4169891546658875
Energy: 1.1751038893704826
Energy: 0.6236549132061361
Energy: 1.3279836482909158
Energy: 0.6236549132024203
Energy: 1.3279836482909158
Energy: 0.623654913198837
Energy: 1.3279836482909158
Energy: 0.7514085014419881
Energy: 0.549512061240603
Energy: 0.7514085014382723
Energy: 0.5495120612441863
Energy: 0.7514085014200909
Energy: 0.5495120612441863
Energy: 1.1588776913960253
Energy: 0.6163827876771393
Energy: 1.1588776913887262
Energy: 0.6163827876807225
Energy: 1.158877691385143
Energy: 0.6163827876698402
Energy: 0.5982757732166706
Energy: 1.0388285490517946
Energy: 0.5982757732129548
Energy: 1.0388285490553777
Energy: 0.598275773180175
Energy: 1.0388285490517946
Energy: 1.3234617212398054
Energy: 0.574035540980868
Energy: 1.3234617212360897
Energy: 0.5740355409990494
Energy: 1.3234617212360897
Energy: 0.5740355409844512
Energy: 0.6051766936938837
Energy: 1.0829282456023412
Energy: 0.6051766936938837
Energy: 1.0829282456059244
Energy: 0.6051766936938837
Energy: 1.0829282456059244
Energy: 1.0462510218803203
Energy: 0.9530084971643377
Energy: 1.046250989960714
Energy: 0.9530084971607544
Energy: 1.0462506806480645
Energy: 0.9530084971643377
Energy: 0.40100963498508446
Energy: 1.169844588455351
Energy: 0.40100963497778536
Energy: 1.1698445884882636
Energy: 0.40100963498150133
Energy: 1.1698445884444688

minimum gb energy = -0.10896232779389407 eV
minimum distance =  2.40325245408789 Angstroms
sigma value = 67


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

Energy: 0.7403158974350666
Energy: 0.11099475397500477
Energy: 0.7403158974399449
Energy: 0.11099475398720038
Energy: 0.7403158974399449
Energy: 0.11099475396768743
Energy: 0.792336579284346
Energy: 0.22590191161824474
Energy: 0.792336579284346
Energy: 0.22590191162068385
Energy: 0.7923365792867851
Energy: 0.22590191162312298
Energy: 0.89823196182854
Energy: 0.8730666023565692
Energy: 0.9017976492685321
Energy: 0.8730666023565692
Energy: 0.9026047342140853
Energy: 0.8730666023516909
Energy: 0.7932575120589637
Energy: 0.22531414372481437
Energy: 0.7932575120589637
Energy: 0.2253141437272535
Energy: 0.7932575120614028
Energy: 0.22531414373457084
Energy: 0.7403158974375058
Energy: 0.11099475397012656
Energy: 0.7403158974399449
Energy: 0.11099475397012656
Energy: 0.7403158974399449
Energy: 0.11099475398232216
Energy: 0.7923365792819068
Energy: 0.22590191162556209
Energy: 0.792336579284346
Energy: 0.22590191162312298
Energy: 0.7923365792867851
Energy: 0.22590191161336648
Energy: 0.5644154861872283
Energy: 0.8730666023565692
Energy: 0.5644154861896673
Energy: 0.87306660235413
Energy: 0.5644154861872283
Energy: 0.8730666023565692

minimum gb energy = 0.11099475396768743 eV
minimum distance =  2.41350381608919 Angstroms
sigma value = 3


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

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Energy: 0.2208669958260474
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Energy: 0.1881856531429945
Energy: 0.475705175314641
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Energy: 0.7874909079372994
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Energy: 0.7501358132307795
Energy: 0.3122244992986076
Energy: 0.7501358131742925
Energy: 0.31224210739183705
Energy: 0.7501358139373503

minimum gb energy = -3.6401179344881203 eV
minimum distance =  2.35267082641156 Angstroms
sigma value = 81


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

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Energy: 0.8087715511909883
Energy: 0.9156285397273777
Energy: 0.808771551195461
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Energy: -1.8252799392181416
Energy: -2.2026678486138414
Energy: -1.82527993443246
Energy: -2.715145388749955

minimum gb energy = -4.296939819833255 eV
minimum distance =  2.3382326840624 Angstroms
sigma value = 43


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

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Energy: 0.8542138647621745
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Energy: -0.2664729932136023
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Energy: 0.5705068833691431
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Energy: 0.19655695346559895
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Energy: 0.5283523153682542
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Energy: 0.5283523146858818
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Energy: 0.5283523088465977
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Energy: 0.2855166570509935
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Energy: 0.2855166570509935
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Energy: 0.2855166570509935
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Energy: 0.32167995822044465
Energy: 0.600958410209067
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Energy: 0.5886979060255927
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Energy: 1.0412489147919384
Energy: 0.4716565747070274
Energy: 1.041248914780747
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Energy: 1.0412489147751514
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Energy: 0.45247044839551753
Energy: 0.6474110054476604
Energy: 0.4524704484011133
Energy: 0.647411005458852
Energy: 0.452470448406709
Energy: 0.6474110054644476

minimum gb energy = -0.2664729932136023 eV
minimum distance =  2.39783796008085 Angstroms
sigma value = 57


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

Energy: 0.8396887317713682
Energy: 0.005909722387673554
Energy: 0.8396887317713682
Energy: 0.00590972241665458
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Energy: -0.7490078487716118
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Energy: -0.7490078493582141
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Energy: -0.07255718629015466
Energy: 0.06969736597540871
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Energy: -0.12981410840671012
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Energy: -0.12981291137716117
Energy: 0.13891732883740712
Energy: -0.12983353900250022
Energy: 0.13891737127577317
Energy: 0.07126136554359166
Energy: -0.45810596567114287
Energy: 0.07126138797213974
Energy: -0.4587768202177889
Energy: 0.07126137574754761
Energy: -0.620777526541815
Energy: -1.0073544553356855
Energy: 0.10966339304215997
Energy: -0.8864635541379197
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Energy: -0.0392721635377887
Energy: -0.011571621509800765
Energy: -0.039272163559524474
Energy: -0.011640785634091879
Energy: -0.03927216362460005
Energy: -0.009546761566938636

minimum gb energy = -1.0073544553356855 eV
minimum distance =  2.38414056857577 Angstroms
sigma value = 17


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

Energy: -0.361061420654499
Energy: 0.0685268247487124
Energy: -0.36106142132023167
Energy: 0.06852682475793409
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Energy: -0.6250254417771165
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Energy: -0.3920800042447989
Energy: -1.002811448838705
Energy: -0.3920800038607475
Energy: -1.0028114446682581

minimum gb energy = -1.0816453384579163 eV
minimum distance =  2.37221834220279 Angstroms
sigma value = 17


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

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Energy: -0.5031601877397357
Energy: -0.331871696059034
Energy: -0.5039252333029094
Energy: -0.3309337824777008
Energy: -0.1045314532033813
Energy: -0.9954568093741762
Energy: -0.10453106865339573
Energy: -0.9954568098606431
Energy: -0.10453033697597955
Energy: -0.995456809223963
Energy: -0.2219676074297442
Energy: -0.9860316781693285
Energy: -0.4314134611313841
Energy: -1.7601087095171912
Energy: -0.42859969944571197
Energy: -0.8696793303081349
Energy: -0.4928590894429793
Energy: -0.6112623155702476
Energy: -0.4801422121725911
Energy: -0.6112623155385933
Energy: -0.7698529398528862
Energy: -0.6112623155465069

minimum gb energy = -1.9132258336949355 eV
minimum distance =  2.36913693228283 Angstroms
sigma value = 57


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

Energy: 0.20171833597733266
Energy: -0.8150646461548353
Energy: 0.20171833598389236
Energy: -0.8150646467086619
Energy: 0.20171833598389236
Energy: -0.8150646466700064
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Energy: -0.10945173225199964
Energy: 0.03009922467781542
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Energy: -0.10508797729341819
Energy: 0.030740818599262826
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Energy: -0.07373695639924047
Energy: -1.704065882136092
Energy: -0.0737369563734702
Energy: -1.5479214274655675
Energy: -0.07373695641212562
Energy: -0.6187044172702827
Energy: 0.015844475177062695
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Energy: 0.014048047969848305
Energy: -0.7060370851541067
Energy: 0.9464293311574816
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Energy: -0.7232523428448998
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Energy: -0.7232523431799133
Energy: -0.08874444291443005
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Energy: -0.18724273380505826
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Energy: 0.01293332118950513
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Energy: -1.0543451033073579
Energy: 0.5466471738742704
Energy: -1.3630069155462592
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Energy: -1.4790067116071266
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Energy: 0.1922696456495607
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Energy: -0.6624705359066912
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Energy: -0.7060618691347378
Energy: 0.17215300907069694
Energy: -0.6325725495362593
Energy: 0.17215300902548183
Energy: -0.8184802405150607
Energy: -1.095168633626228
Energy: -0.8184802405085011
Energy: -0.8645975396024581
Energy: -0.8184802405021757
Energy: -1.4747210119911704
Energy: -0.04360252863378929
Energy: 0.8642526523957572
Energy: -0.04360252863378929
Energy: 0.8642526524023167
Energy: -0.04360252864667444
Energy: 0.8642526524023167
Energy: -0.3393650992303259
Energy: -0.713149897423244
Energy: -0.3393650992624216
Energy: -0.7131498973974736
Energy: -0.33936509925609615
Energy: -0.7131498974490141
Energy: -0.6128260457085628
Energy: 0.4529178538972552
Energy: -0.6520844285057672
Energy: 0.45291785388437006
Energy: -0.6458367301672571
Energy: 0.4529178538972552
Energy: -0.44502604714117083
Energy: 0.871928106894403
Energy: -0.445026047154056
Energy: 0.871928106894403
Energy: -0.44502604714117083
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Energy: -0.887274103348185
Energy: -2.740326473152971
Energy: -0.8872741038825668
Energy: 0.19687185437461038
Energy: -0.88727410336107
Energy: 0.1949960935382465

minimum gb energy = -2.740326473152971 eV
minimum distance =  2.35838833571536 Angstroms
sigma value = 43


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

Energy: 0.4431110833006253
Energy: 0.2952893826777341
Energy: 0.4431110832912371
Energy: 0.2952893826731254
Energy: 0.4431110833335692
Energy: 0.2952893826825135
Energy: 0.4547994541205581
Energy: 0.2587239364804329
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Energy: 0.45479945405501165
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Energy: 0.5939683822682065
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Energy: -0.0981281446655322
Energy: 0.5939683822634272
Energy: -0.09812814397575811
Energy: 0.3500725239896943
Energy: -0.07060319709715579
Energy: 0.35007252358617386
Energy: 0.002217583797796577
Energy: 0.35007252376915776
Energy: -0.07045534144783154
Energy: 0.5319250012441645
Energy: 0.2995621490825994
Energy: 0.5319246060418462
Energy: 0.29956214907321127
Energy: 0.5319233455552279
Energy: 0.2995621490779907
Energy: 0.5711517973586927
Energy: 0.4893591861386953
Energy: 0.5711517973586927
Energy: 0.4893591861339158
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Energy: 0.4893591861059221
Energy: -0.0623536488963829
Energy: -1.4436469180560927
Energy: -0.06236473813446796
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Energy: -1.4436469174368152
Energy: -0.4293054127680429
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Energy: -0.40444982429500603
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Energy: 0.25697226409773066
Energy: 0.24178094714497655
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Energy: 0.2972024380514078
Energy: 0.49360744096004217
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Energy: 0.49360744095526277
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Energy: 0.49360744094587455
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Energy: -0.02159171468599487
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Energy: 0.5883203915055014
Energy: -0.12616265678289917
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Energy: -0.1261626588989916
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Energy: -0.12616266705372245
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Energy: 0.6620005949713853
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Energy: 0.06378492518800408
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Energy: -0.16704619019095243
Energy: -0.3079084724670674
Energy: -0.16704619019095243
Energy: -0.4170909554176823
Energy: -0.16704619018156425
Energy: -0.4774904413902089
Energy: 0.21471624644567117
Energy: 0.2779969604427372
Energy: 0.21471624643628295
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Energy: 0.2147162464410624
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Energy: 0.5010753325519477
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Energy: 0.5010753325755035
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Energy: -0.07913338335904746
Energy: 0.2939274880823165
Energy: -0.07913338335904746
Energy: 0.29392748809631347
Energy: -0.07913338334027113
Energy: 0.2939274880869252

minimum gb energy = -1.887647521385563 eV
minimum distance =  2.36151646327819 Angstroms
sigma value = 81


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

Energy: 0.05374282501801442
Energy: -0.03064333386944157
Energy: 0.05374282501801442
Energy: -0.030643333871166283
Energy: 0.05374282501801442
Energy: -0.030643333872891004
Energy: 0.9975801018303881
Energy: -0.03361348213668593
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Energy: -0.033613482138410644
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Energy: -0.033613482138410644
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Energy: -0.030643333872891004
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Energy: -0.03064333387461572
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Energy: -0.030643333872891004
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Energy: -0.03361348214013537
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Energy: -0.03361348213668593
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Energy: -0.033450820440326996
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Energy: -0.030643333864267423
Energy: 0.05374282501801442
Energy: -0.030643333871166283
Energy: 0.05374282501801442
Energy: -0.030643333872891004

minimum gb energy = -0.03361348214013537 eV
minimum distance =  2.44524011806057 Angstroms
sigma value = 3


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

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Energy: 0.4913912228245945
Energy: 0.4225397369994174
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Energy: 0.28156394237792376
Energy: -0.2437735434494068
Energy: 0.28156394238308496
Energy: -0.2437735434648906
Energy: 0.28156394238308496
Energy: -0.24377354340295548
Energy: 0.34528576644640474
Energy: 0.3300082555489044
Energy: 0.3452857664618885
Energy: 0.3300082555489044
Energy: 0.34528576644640474
Energy: 0.3300082555437432
Energy: 0.4935335806152181
Energy: 0.45874827213266345
Energy: 0.4935335806203795
Energy: 0.45874827210685715
Energy: 0.4935335806203795
Energy: 0.4587482720758896
Energy: 0.3766297440282877
Energy: -0.3576395883000528
Energy: 0.37662974403344895
Energy: -0.35658183545799993
Energy: 0.3766297440282877
Energy: -0.35748587411766236
Energy: 0.46991993987283937
Energy: 0.3633187972265112
Energy: 0.46991993987283937
Energy: 0.36331879723167254
Energy: 0.46991993987283937
Energy: 0.3633187972368338
Energy: 0.34865631739217745
Energy: 0.6505775303015362
Energy: 0.3486563174076613
Energy: 0.6505775303015362
Energy: 0.34865631741282255
Energy: 0.6505775303015362
Energy: 0.37953237193969164
Energy: -0.27678312587664866
Energy: 0.3795323719448529
Energy: -0.2767831264750734
Energy: 0.3795323719448529
Energy: -0.27678312612429534
Energy: 0.4842993672623037
Energy: 0.432367646088052
Energy: 0.48429936725714245
Energy: 0.432367646088052
Energy: 0.48429936725714245
Energy: 0.43236764608289074
Energy: 0.3441914228845195
Energy: 0.4620853544403433
Energy: 0.3441914228741969
Energy: 0.4620853544403433
Energy: 0.34419142286903565
Energy: 0.4620853544403433
Energy: 0.49173265912116404
Energy: 0.4643019573479847
Energy: 0.49173265912632524
Energy: 0.46430195732733964
Energy: 0.49173265912632524
Energy: 0.46430195733250085
Energy: 0.2200820481650139
Energy: 0.41373424639233786
Energy: 0.2200820481650139
Energy: 0.41373424639233786
Energy: 0.2200820481650139
Energy: 0.41373424639233786

minimum gb energy = -0.3959964681125188 eV
minimum distance =  2.38223222029159 Angstroms
sigma value = 67


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

Energy: 0.597359003430864
Energy: 0.6862477002669941
Energy: 0.5973590034235098
Energy: 0.6862477002669941
Energy: 0.5973590034161556
Energy: 0.6862477002669941
Energy: 0.4894870126273584
Energy: 0.6060823670588439
Energy: 0.48948701261264993
Energy: 0.6060823670514898
Energy: 0.4894870126273584
Energy: 0.6060823670514898
Energy: 0.5872468891306007
Energy: 0.6182465482289918
Energy: 0.5570546149500857
Energy: 0.6182465482437003
Energy: 0.5872468891232464
Energy: 0.6182465482289918
Energy: 0.565794570522441
Energy: 0.7046153762707592
Energy: 0.565794570522441
Energy: 0.7046153762781134
Energy: 0.565794570522441
Energy: 0.7046153762707592
Energy: 0.5242790813986559
Energy: 0.48926161343749647
Energy: 0.5242790814133643
Energy: 0.4892616134301422
Energy: 0.5242790813986559
Energy: 0.48926161345220487
Energy: 0.5438244398677334
Energy: 0.4478389331410775
Energy: 0.5438244398677334
Energy: 0.4478389331410775
Energy: 0.5438244398677334
Energy: 0.4478389331410775
Energy: 0.7118283559148068
Energy: 0.576155951938766
Energy: 0.7118283559148068
Energy: 0.576155951938766
Energy: 0.7118283559148068
Energy: 0.576155951938766
Energy: 0.6422031781080078
Energy: 0.5911497022649572
Energy: 0.6422031781080078
Energy: 0.5911497022723115
Energy: 0.6422031781080078
Energy: 0.5911497022723115
Energy: 0.709713165072398
Energy: 0.5749583021586837
Energy: 0.7097131650797522
Energy: 0.5749583021439753
Energy: 0.7097131650797522
Energy: 0.5749583021660379
Energy: 0.5976008684414019
Energy: 0.5622899650207759
Energy: 0.5976008684487562
Energy: 0.5622899650134218
Energy: 0.5976008684487562
Energy: 0.5622899650207759
Energy: 0.8675660855676949
Energy: 0.5351649361691927
Energy: 0.8675660855676949
Energy: 0.5351649361765469
Energy: 0.8675660855676949
Energy: 0.5351649361765469
Energy: 0.7097382530669704
Energy: 0.5858695995969398
Energy: 0.7097382530669704
Energy: 0.5858695995895856
Energy: 0.7097382530596161
Energy: 0.5858695995895856
Energy: 0.5734752855393418
Energy: 0.8131628165591682
Energy: 0.5734752855393418
Energy: 0.8131628165591682
Energy: 0.5734752855393418
Energy: 0.8131628165591682
Energy: 0.6817390631248644
Energy: 0.5561007103769301
Energy: 0.6817390631322185
Energy: 0.5561007103769301
Energy: 0.6817390631248644
Energy: 0.5561007103769301
Energy: 0.6436080085262629
Energy: 0.544183625050411
Energy: 0.6436080085189085
Energy: 0.5441836250430567
Energy: 0.6436080085189085
Energy: 0.5441836250430567
Energy: 0.5994019749429544
Energy: 0.5014588195980396
Energy: 0.5994019749282461
Energy: 0.501458819605394
Energy: 0.5994019749429544
Energy: 0.501458819605394
Energy: 0.7449393082027101
Energy: 0.4975415619747844
Energy: 0.7449393081953558
Energy: 0.4975415619821386
Energy: 0.7449393081953558
Energy: 0.4975415619747844
Energy: 0.8493118431536715
Energy: 0.5944118851064989
Energy: 0.8493118431536715
Energy: 0.5944118851212074
Energy: 0.8493118431536715
Energy: 0.5944118851064989
Energy: 0.5588939420647526
Energy: 0.6421942832319691
Energy: 0.5588939420647526
Energy: 0.6421942832393233
Energy: 0.5588939420647526
Energy: 0.6421942832319691
Energy: 0.7977888790370726
Energy: 0.6756780152720296
Energy: 0.7977888790370726
Energy: 0.6756780152646753
Energy: 0.7977888790370726
Energy: 0.6756780152646753
Energy: 0.6390123661903275
Energy: 0.6698509115713284
Energy: 0.6390123661903275
Energy: 0.6698509115639742
Energy: 0.6390123661903275
Energy: 0.6698509115639742
Energy: 0.4636647718762741
Energy: 0.6712357605081906
Energy: 0.4636647718762741
Energy: 0.6712357605081906
Energy: 0.4636647718762741
Energy: 0.6712357605081906
Energy: 0.6199969968212307
Energy: 0.7216470486134832
Energy: 0.6199969968212307
Energy: 0.7216470486134832
Energy: 0.6199969968212307
Energy: 0.7216470486134832

minimum gb energy = 0.4478389331410775 eV
minimum distance =  2.43877941919027 Angstroms
sigma value = 33


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

Energy: 0.5004000232798747
Energy: 0.8639026211957179
Energy: 0.5004000232798747
Energy: 0.8639026211957179
Energy: 0.5004000232798747
Energy: 0.8639026211911373
Energy: 0.6679662590401153
Energy: 0.6649330257141781
Energy: 0.6679662590401153
Energy: 0.6649330257187586
Energy: 0.6679662590494462
Energy: 0.6649330257328396
Energy: 0.4951480745977136
Energy: 0.6671259715180103
Energy: 0.4951480746022941
Energy: 0.6671259715180103
Energy: 0.4951480746022941
Energy: 0.6671259715132601
Energy: 0.5484322560098562
Energy: 0.8443668759431607
Energy: 0.5484322560052758
Energy: 0.8443668759385803
Energy: 0.5484322560052758
Energy: 0.8443668759385803
Energy: 0.6668589988506064
Energy: 0.6256754461278777
Energy: 0.6668589988460256
Energy: 0.6256754461324583
Energy: 0.6668589988506064
Energy: 0.6256754461232972
Energy: 0.6533275416505187
Energy: 0.4831924669483585
Energy: 0.6533275416459382
Energy: 0.5609984922697472
Energy: 0.6533275416691803
Energy: 0.5407076589720643
Energy: 0.6898068294414561
Energy: 0.9095533568507661
Energy: 0.6898068294368754
Energy: 0.9095533568507661
Energy: 0.6898068294414561
Energy: 0.9095533568553467
Energy: 1.0266843090055542
Energy: 0.4851879010832977
Energy: 1.0266843090055542
Energy: 0.48518790107871723
Energy: 1.0266843090055542
Energy: 0.48518790108804793
Energy: 0.6636338575954092
Energy: 0.5930698148229624
Energy: 0.6636338575954092
Energy: 0.5930698148090511
Energy: 0.6636338575954092
Energy: 0.5930698148229624
Energy: 0.8940951954205569
Energy: 0.9637683944981308
Energy: 0.8940951954205569
Energy: 1.0387736641153502
Energy: 0.8940951954064759
Energy: 0.981103928588743
Energy: 0.8657500918854331
Energy: 0.5659074931059169
Energy: 0.8657500918808526
Energy: 0.5659074931104975
Energy: 0.8657500918808526
Energy: 0.5659074931104975
Energy: 0.6915718313020118
Energy: 0.63602814551062
Energy: 0.6915718312879309
Energy: 0.6360281455199507
Energy: 0.6915718312972615
Energy: 0.6360281455058698
Energy: 0.7045844499954089
Energy: 0.7478649553810214
Energy: 0.7045844500047398
Energy: 0.7478649553810214
Energy: 0.7045844500001593
Energy: 0.7478649553857718
Energy: 0.7940580372363227
Energy: 0.49476093737296484
Energy: 0.7940580372363227
Energy: 0.49476093737771515
Energy: 0.7940580372456534
Energy: 0.49476093737771515
Energy: 0.5538818277216501
Energy: 0.6673708215066863
Energy: 0.5538818277123193
Energy: 0.6673708214880247
Energy: 0.5538818277170695
Energy: 0.6673708214832745
Energy: 0.6012577832122701
Energy: 1.0110967311459016
Energy: 0.6012577832122701
Energy: 1.0110967311459016
Energy: 0.6012577832029394
Energy: 1.0110967311459016
Energy: 0.9452003812720097
Energy: 0.8886678267257108
Energy: 0.9452003812720097
Energy: 0.8886678267302912
Energy: 0.9452003812720097
Energy: 0.8886678267302912
Energy: 0.5996767246789013
Energy: 0.7049705875274107
Energy: 0.5996767246648204
Energy: 0.7049705875414918
Energy: 0.5996767246695706
Energy: 0.7049705875367415
Energy: 0.6220319980092465
Energy: 0.7014192499833234
Energy: 0.6220319980092465
Energy: 0.7014192499880735
Energy: 0.6220319980092465
Energy: 0.7014192500019848
Energy: 0.6480270997772329
Energy: 0.7244956637326722
Energy: 0.6480270997819833
Energy: 0.7244956637326722
Energy: 0.6480270997913139
Energy: 0.7244956637326722
Energy: 0.5259736222749782
Energy: 0.745595509300095
Energy: 0.5259736222749782
Energy: 0.7455955092907642
Energy: 0.5259736222749782
Energy: 0.7455955092953449
Energy: 0.560295935975743
Energy: 0.6101795695357481
Energy: 0.5602959359664121
Energy: 0.6101795695311676
Energy: 0.5602959359711626
Energy: 0.6101795695264175
Energy: 0.8260064877724614
Energy: 0.48772761248579927
Energy: 0.8260064877724614
Energy: 0.48772761248579927
Energy: 0.8260064877677111
Energy: 0.48772761248579927
Energy: 0.7415987378108367
Energy: 0.5582232232705298
Energy: 0.7415987378108367
Energy: 0.558223223284441
Energy: 0.7415987378060866
Energy: 0.5582232232751102
Energy: 0.6913849133332948
Energy: 0.5670818019697269
Energy: 0.6913849133378754
Energy: 0.5670818019651465
Energy: 0.6913849133378754
Energy: 0.5670818019651465
Energy: 0.7461741374593975
Energy: 0.4644285083389282
Energy: 0.7461741374500668
Energy: 0.4644285083389282
Energy: 0.7461741374546474
Energy: 0.4644285083482589
Energy: 0.6905176095505363
Energy: 0.6527198966096781
Energy: 0.6905176095459559
Energy: 0.652719896619009
Energy: 0.6905176095505363
Energy: 0.652719896619009
Energy: 0.6815159053917323
Energy: 0.6413534023449764
Energy: 0.6815159053917323
Energy: 0.6413534023729687
Energy: 0.6815159053917323
Energy: 0.6413534023590575
Energy: 0.6699331972517175
Energy: 0.6003571663605213
Energy: 0.6699331972517175
Energy: 0.6003571663651017
Energy: 0.6699331972469674
Energy: 0.6003571663605213
Energy: 0.7070250055273015
Energy: 0.90427545824376
Energy: 0.707025005522721
Energy: 0.9042754582391795
Energy: 0.7070250055273015
Energy: 0.9042754582391795
Energy: 0.5795141761284262
Energy: 0.689071171857522
Energy: 0.5795141761097645
Energy: 0.689071171857522
Energy: 0.5795141761236758
Energy: 0.6890711718668527
Energy: 0.6813211991486027
Energy: 0.7079419118164382
Energy: 0.6813211991440221
Energy: 0.7079419118210187
Energy: 0.6813211991533529
Energy: 0.707941911811688
Energy: 0.4656184814206944
Energy: 1.0135993986729872
Energy: 0.46561848141611384
Energy: 1.0135993986729872
Energy: 0.4656184814300251
Energy: 1.0135993986729872
Energy: 0.5857321767390891
Energy: 0.6870177916193071
Energy: 0.5857321767345085
Energy: 0.6870177916238875
Energy: 0.5857321767345085
Energy: 0.6870177916238875
Energy: 0.5755626720419331
Energy: 0.6611415686571752
Energy: 0.5755626720466835
Energy: 0.6611415686525948
Energy: 0.5755626720419331
Energy: 0.6611415686525948
Energy: 0.7633946612325017
Energy: 0.8076191033767618
Energy: 0.7633946612325017
Energy: 0.8076191033860927
Energy: 0.7633946612370821
Energy: 0.8076191033720116
Energy: 0.5681927886602859
Energy: 0.5754634734246387
Energy: 0.5681927886555357
Energy: 0.5754634734246387
Energy: 0.5681927886555357
Energy: 0.5754634734293889

minimum gb energy = 0.4644285083389282 eV
minimum distance =  2.40277086005605 Angstroms
sigma value = 41


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

Energy: 0.6012976912596407
Energy: 0.941271873769117
Energy: 0.601297691258367
Energy: 0.9412718737729383
Energy: 0.6012976912609146
Energy: 0.9412718737703908
Energy: 0.8983365090996283
Energy: 0.7844815042902614
Energy: 0.8983365091034496
Energy: 0.7844815042877139
Energy: 0.898336509100902
Energy: 0.7844815042877139
Energy: 0.7289059898075808
Energy: 0.5724472058943461
Energy: 0.8703692035312953
Energy: 0.5724472058879772
Energy: 0.6906532209715984
Energy: 0.5724472058879772
Energy: 1.2238019443623618
Energy: 0.7472810309305233
Energy: 1.2238019443623618
Energy: 0.7472810309330709
Energy: 1.2238019443636354
Energy: 0.747281030938166
Energy: 0.9961074280662116
Energy: 1.121465900534221
Energy: 0.9961074280636639
Energy: 1.1214659005316734
Energy: 0.996107428056021
Energy: 1.1214659005354948
Energy: 0.8447062112682456
Energy: 0.7383039953340624
Energy: 0.8447062112656982
Energy: 0.7383039953200509
Energy: 0.8447062112695196
Energy: 0.7383039953620859
Energy: 1.2106414112493653
Energy: 1.0211462423658137
Energy: 1.2106414112557342
Energy: 1.0211462423543496
Energy: 1.210641411251913
Energy: 1.021146242285681
Energy: 1.2351898837400435
Energy: 0.5860661760638323
Energy: 1.2351898837336746
Energy: 0.5860661760625585
Energy: 1.2351898837438646
Energy: 0.5860661760651061
Energy: 1.098407998799444
Energy: 1.2166763097009554
Energy: 1.0984079988007178
Energy: 1.2166763097022288
Energy: 1.0984079988019915
Energy: 1.2166763097009554
Energy: 0.8895764432277838
Energy: 0.9449048162623831
Energy: 0.8895764432265101
Energy: 0.9449048162662045
Energy: 0.8895764432239627
Energy: 0.9449048162496452
Energy: 0.7284399488292952
Energy: 0.6133832464612853
Energy: 0.7284399488305691
Energy: 0.6133832464612853
Energy: 0.7284399488305691
Energy: 0.6133832464638328
Energy: 0.677362309333484
Energy: 0.7732455035333273
Energy: 0.6773623093462218
Energy: 0.7732455035358748
Energy: 0.6773623093398529
Energy: 0.773245503534601
Energy: 1.0152767990183
Energy: 0.7937250945066552
Energy: 1.015276799023395
Energy: 0.7937250945066552
Energy: 1.015276799019574
Energy: 0.7937250945104766
Energy: 1.3255831421910256
Energy: 0.7636289774935342
Energy: 1.325583142189752
Energy: 0.7636289774999031
Energy: 1.3255831421961206
Energy: 0.7636289774999031

minimum gb energy = 0.5724472058879772 eV
minimum distance =  2.35500357164501 Angstroms
sigma value = 11


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

Energy: 1.0907763703328617
Energy: 1.2489694599262515
Energy: 1.090776370327266
Energy: 1.248969459920656
Energy: 1.090776370327266
Energy: 1.2489694599262515
Energy: 1.2389942845491935
Energy: 1.0308161792608626
Energy: 1.2389942846106448
Energy: 1.0308161792608626
Energy: 1.2389942846106448
Energy: 1.0308161792608626
Energy: 0.9625746125582533
Energy: 0.7496249113677884
Energy: 0.9625746125582533
Energy: 0.749624911373384
Energy: 0.9625746125470619
Energy: 0.7496249113621926
Energy: 0.9170048374703694
Energy: 1.0372377619850228
Energy: 0.9170048374256036
Energy: 1.0372377619906186
Energy: 0.9170048373528594
Energy: 1.0372377619850228
Energy: 1.0409866314387053
Energy: 0.8793119116994441
Energy: 1.0409866314331095
Energy: 0.8793119117050399
Energy: 1.0409866314331095
Energy: 0.8793119116994441
Energy: 1.1450599950984741
Energy: -0.8455593405911613
Energy: 1.1450599950928784
Energy: 0.19425047498305636
Energy: 1.1450599950984741
Energy: 0.2208834941101861
Energy: 0.9108781419395261
Energy: 1.0053068691532714
Energy: 0.9108781419451218
Energy: 1.0053057455118792
Energy: 0.9108781419339304
Energy: 1.0053008075089738
Energy: 1.1326311563413534
Energy: 1.0645380906520345
Energy: 1.1326311563413534
Energy: 1.0645380906520345
Energy: 1.1326311563413534
Energy: 1.0645380906520345
Energy: 0.9760004022217653
Energy: 0.8865793796174397
Energy: 0.9760004022217653
Energy: 0.886579379611844
Energy: 0.9760004022217653
Energy: 0.8865793796174397
Energy: 0.8635766170609019
Energy: -1.1505121250239179
Energy: 0.8635766165071292
Energy: -1.2919508540920992
Energy: 0.8635766133693561
Energy: -1.1409646642265179
Energy: 1.1447200894783667
Energy: 1.0763714229331385
Energy: 1.144720089472771
Energy: 1.0763714229219472
Energy: 1.1447200894783667
Energy: 1.076371422927543
Energy: 1.0194919055840668
Energy: 0.9235926628059326
Energy: 1.0194919055729768
Energy: 0.9235926628059326
Energy: 1.0194919055785727
Energy: 0.9235926627947413
Energy: 0.7639314765059216
Energy: 1.0163074877719955
Energy: 0.7639314765059216
Energy: 1.0163074877552083
Energy: 0.763931476500326
Energy: 1.0163074878223568
Energy: 1.129114152804231
Energy: 0.8471581410489984
Energy: 1.129114152804231
Energy: 0.8471581410266156
Energy: 1.1291141528098267
Energy: 0.8471581411217427
Energy: 1.251315752929665
Energy: 0.6468315650149873
Energy: 1.2513157529184735
Energy: 0.664035931575943
Energy: 1.2513157529240693
Energy: 0.6639150768420851
Energy: 0.9455187096030114
Energy: 0.9721404477685032
Energy: 0.9455187096030114
Energy: 0.9721404511971521
Energy: 0.9455187096030114
Energy: 0.9721402967121018
Energy: 1.2020228564726838
Energy: 1.0138863791420054
Energy: 1.2020228564503006
Energy: 1.0138863791364099
Energy: 1.2020228565174496
Energy: 1.0138863791420054
Energy: 0.8060092426023789
Energy: 0.8728815804884952
Energy: 0.8060092425855917
Energy: 0.8728815804884952
Energy: 0.8060092426023789
Energy: 0.8728815805052823
Energy: 0.9732403464686765
Energy: 1.16514229998139
Energy: 0.9732403090556059
Energy: 1.16514229998139
Energy: 0.9732402722184871
Energy: 1.16514229998139
Energy: 1.1311390500168585
Energy: 1.1375586679357643
Energy: 1.131139050033544
Energy: 1.1375586679357643
Energy: 1.1311390500168585
Energy: 1.1375586679357643
Energy: 0.04597440803434727
Energy: 1.1294246597666293
Energy: 0.050514849077545644
Energy: 1.1294246597666293
Energy: 0.4919026738311527
Energy: 1.1294246597666293
Energy: 0.9414618841519646
Energy: 1.1114076433994837
Energy: 0.9414618841687518
Energy: 1.1114076434106752
Energy: 0.941461884163156
Energy: 1.1114076434050797
Energy: 1.014620322345064
Energy: 0.841760637938613
Energy: 1.014620322345064
Energy: 0.8417606379330173
Energy: 1.014620322345064
Energy: 0.8417606379330173
Energy: 0.8951424534473041
Energy: 1.0646529583512332
Energy: 0.8951424534528998
Energy: 1.064652958356829
Energy: 0.8951424534528998
Energy: 1.0646529583512332
Energy: 0.9773229986119347
Energy: 1.120552392080455
Energy: 0.9773229986175304
Energy: 1.120552392080455
Energy: 0.9773229986063391
Energy: 1.120552392080455
Energy: 1.0816626959343656
Energy: 1.0333987690071111
Energy: 1.0816626959343656
Energy: 1.0333987691245194
Energy: 1.0816626959119828
Energy: 1.0333987691021365
Energy: 1.0693127830128661
Energy: 0.8890716811784435
Energy: 1.0693127830128661
Energy: 0.8890716811728478
Energy: 1.0693127830128661
Energy: 0.8890716811728478
Energy: 0.7920532302557671
Energy: 1.1370969109352214
Energy: 0.7920532304347283
Energy: 1.1370969109352214
Energy: 0.7920532303396011
Energy: 1.1370969109352214
Energy: 1.189646967913073
Energy: 0.9670946665122869
Energy: 1.1896469679074773
Energy: 0.9670946665066912
Energy: 1.189646967913073
Energy: 0.9670946665066912
Energy: 0.9664291974828289
Energy: 0.9617930810625618
Energy: 0.9664247075314877
Energy: 0.9617930830593174
Energy: 0.9664084804930358
Energy: 0.9617930822371539
Energy: 1.0189093798715159
Energy: 1.0429507383645642
Energy: 1.0189093798659201
Energy: 1.04295073837016
Energy: 1.0189093798659201
Energy: 1.042950738375756

minimum gb energy = -1.2919508540920992 eV
minimum distance =  2.33674235348264 Angstroms
sigma value = 57


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

Energy: 1.3101096166888213
Energy: 1.5675451012920292
Energy: 1.3101096166918085
Energy: 1.5675451012910333
Energy: 1.3101096166908126
Energy: 1.5675451012900377
Energy: 1.1358840985135048
Energy: 0.8928592077452114
Energy: 1.1358840985135048
Energy: 0.8928592077481987
Energy: 1.135884098517488
Energy: 0.8928592077432198
Energy: 1.3211472442600432
Energy: 0.8805518491854274
Energy: 1.321147244257056
Energy: 0.8805518491844315
Energy: 1.3211472442610388
Energy: 0.8805518491844315
Energy: 1.3450232714092047
Energy: 1.4533766779509396
Energy: 1.3450232714141837
Energy: 1.4533766779479522
Energy: 1.3450232714141837
Energy: 1.2259660125895993
Energy: 1.3236016622554676
Energy: 0.8805643791487415
Energy: 1.3236016622514848
Energy: 0.8805643791447584
Energy: 1.3236016622426132
Energy: 0.8805643791447584
Energy: 1.1363358224516107
Energy: 1.1199157397580386
Energy: 1.1363358224536022
Energy: 1.119915739757043
Energy: 1.1363358224516107
Energy: 1.119915739757043
Energy: 1.310109616689817
Energy: 1.5675451012930248
Energy: 1.3101096166908126
Energy: 1.5675451012940207
Energy: 1.3101096166908126
Energy: 1.5675451012940207
Energy: 1.1358840985135048
Energy: 0.8928592077511859
Energy: 1.1358840985164922
Energy: 0.8928592077491944
Energy: 1.1358840985154965
Energy: 0.8928592077481987
Energy: 1.3211472442610388
Energy: 0.8805518491834359
Energy: 1.3211472442540684
Energy: 0.8805518491804485
Energy: 1.3211472442640262
Energy: 0.8805518491844315
Energy: 1.3450232714141837
Energy: 1.3397819687055061
Energy: 1.345023271413188
Energy: 1.3397819687094894
Energy: 1.3450232714111965
Energy: 1.225966012594578
Energy: 1.3236016622336513
Energy: 0.8805643791497373
Energy: 1.3236016622494928
Energy: 0.8805643791477459
Energy: 1.3236016622484972
Energy: 0.8805643791447584
Energy: 1.136335822454598
Energy: 1.1199157397590345
Energy: 1.1363358224555937
Energy: 1.1199157397600303
Energy: 1.1363358224565894
Energy: 1.1199157397550514
Energy: 1.3101096166908126
Energy: 1.5675451012920292
Energy: 1.310109616689817
Energy: 1.5675451012910333
Energy: 1.3101096166878254
Energy: 1.5675451012910333
Energy: 1.1358840985164922
Energy: 0.8928592077472028
Energy: 1.1358840985145007
Energy: 0.8928592077481987
Energy: 1.1358840985154965
Energy: 0.8928592077472028
Energy: 1.3211472442610388
Energy: 0.8805518491844315
Energy: 1.3211472442620347
Energy: 0.8805518491864232
Energy: 1.3211472442640262
Energy: 0.8805518491864232
Energy: 1.345023271413188
Energy: 1.2259660125826288
Energy: 1.345023271413188
Energy: 1.2259660125856162
Energy: 1.3450232714121921
Energy: 1.2259660125995568
Energy: 1.323601662254472
Energy: 0.8805643791517288
Energy: 1.3236016622564633
Energy: 0.8805643791437626
Energy: 1.3236016622376345
Energy: 0.8805643791407755

minimum gb energy = 0.8805518491804485 eV
minimum distance =  2.32993023533533 Angstroms
sigma value = 9


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

Energy: 1.3232299084259382
Energy: 1.419541368105628
Energy: 1.3232299084259382
Energy: 1.419541368105628
Energy: 1.3232299084340682
Energy: 1.4195413681137585
Energy: 1.3518632079773707
Energy: 1.340819897482847
Energy: 1.35186320796111
Energy: 1.340819897482847
Energy: 1.3518632079367188
Energy: 1.340819897482847
Energy: 1.2533084507772347
Energy: 1.2085796847200865
Energy: 1.327769090524245
Energy: 1.2085796847282169
Energy: 1.1426139040519292
Energy: 1.2085796847282169
Energy: 1.4387403938849728
Energy: 1.06786314258205
Energy: 1.4387403938849728
Energy: 1.0687406335343863
Energy: 1.4387403938849728
Energy: 1.0698574497227706
Energy: 1.1374870545642963
Energy: 1.2256823709561464
Energy: 1.1374870545642963
Energy: 1.2256823709561464
Energy: 1.137487054572427
Energy: 1.2256823709642768
Energy: 1.2607629733401453
Energy: 1.5027626139063532
Energy: 1.260762973332015
Energy: 1.5027626139063532
Energy: 1.2607629733401453
Energy: 1.5027626139063532
Energy: 1.2809641442108024
Energy: 1.3504173740504088
Energy: 1.280964144202672
Energy: 1.3504173740504088
Energy: 1.2809641442108024
Energy: 1.3504173740585392
Energy: 1.262068342732342
Energy: 1.3429009216817727
Energy: 1.262068342732342
Energy: 1.3429009216817727
Energy: 1.262068342732342
Energy: 1.3429009216817727
Energy: 1.4155269342645873
Energy: 1.2911429563496017
Energy: 1.4155269342645873
Energy: 1.291142956357732
Energy: 1.4155269342645873
Energy: 1.2911429563496017
Energy: 1.349547518681906
Energy: 1.290416196129381
Energy: 1.3495475186900363
Energy: 1.29041619611312
Energy: 1.3495475186900363
Energy: 1.29041619611312
Energy: 1.2552777081236708
Energy: 1.29526956814903
Energy: 1.2552777081155404
Energy: 1.29526956814903
Energy: 1.2552777081236708
Energy: 1.29526956814903
Energy: 1.3508161496010633
Energy: 1.3716757694254473
Energy: 1.3508161495197593
Energy: 1.3716757694335777
Energy: 1.3508161496173239
Energy: 1.3716757694335777
Energy: 1.273608451502034
Energy: 1.1799892470747964
Energy: 1.2736084515101647
Energy: 1.1799892470747964
Energy: 1.2736084515101647
Energy: 1.1799892470666662
Energy: 1.1529622895458924
Energy: 1.3577705047216513
Energy: 1.1529622895458924
Energy: 1.3577705047216513
Energy: 1.1529622895540228
Energy: 1.357770504713521
Energy: 1.4071335889813574
Energy: 1.322325583529513
Energy: 1.4071335889813574
Energy: 1.322325583529513
Energy: 1.4071335889813574
Energy: 1.3223255835376433
Energy: 1.3045990223808481
Energy: 1.4369476573534512
Energy: 1.3045990223808481
Energy: 1.4369476573534512
Energy: 1.3045990223808481
Energy: 1.4369476573534512
Energy: 1.320786815908006
Energy: 1.235578822963198
Energy: 1.3207868159161364
Energy: 1.235578822963198
Energy: 1.3207868159161364
Energy: 1.235578822963198
Energy: 1.5231867962626422
Energy: 1.333920972247886
Energy: 1.5231867962545118
Energy: 1.333920972247886
Energy: 1.5231867962626422
Energy: 1.333920972247886
Energy: 1.125153397961347
Energy: 1.2411395365578934
Energy: 1.1251533979694774
Energy: 1.241139536549763
Energy: 1.1251533979694774
Energy: 1.241139536549763
Energy: 1.324776347805746
Energy: 1.3547534239350278
Energy: 1.324776347805746
Energy: 1.3547534239350278
Energy: 1.324776347805746
Energy: 1.3547534239431582
Energy: 1.3670991557726975
Energy: 1.2663411694266675
Energy: 1.3670991557808279
Energy: 1.2663411694429283
Energy: 1.3670991557808279
Energy: 1.2663411694185371

minimum gb energy = 1.06786314258205 eV
minimum distance =  2.37268879828462 Angstroms
sigma value = 27


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

Energy: 1.488145510232422
Energy: 1.3488591777536294
Energy: 1.4699423387498147
Energy: 1.3488591777536294
Energy: 1.488145510239275
Energy: 1.3488591777536294
Energy: 1.4454085580251816
Energy: 1.377835361862489
Energy: 1.4454085580319103
Energy: 1.3778353618693422
Energy: 1.4454085580319103
Energy: 1.377835361862489
Energy: 1.4002477919759988
Energy: 1.1058960109464235
Energy: 1.4002477919759988
Energy: 1.1058960109464235
Energy: 1.4002477919759988
Energy: 1.1058960109464235
Energy: 1.4809290241134434
Energy: 1.4595061037130477
Energy: 1.4809290241134434
Energy: 1.4595061037130477
Energy: 1.4809290241134434
Energy: 1.4595061037199013
Energy: 1.3751335521216994
Energy: 1.0878339537922186
Energy: 1.375133552114846
Energy: 1.0878339537922186
Energy: 1.375133552114846
Energy: 1.0878339537922186
Energy: 1.4181662164940936
Energy: 1.4749594944141282
Energy: 1.4181662164940936
Energy: 1.4749594944141282
Energy: 1.4181662164940936
Energy: 1.4749594944141282
Energy: 1.4194404171202306
Energy: 1.348745372085369
Energy: 1.4194404171202306
Energy: 1.348745372085369
Energy: 1.4194404171202306
Energy: 1.3487453720922224
Energy: 1.5440619415001757
Energy: 1.3880950775714178
Energy: 1.5440619415001757
Energy: 1.3880950775645646
Energy: 1.5440619415001757
Energy: 1.3880950775645646
Energy: 1.3448917036422798
Energy: 1.4755887506323155
Energy: 1.3448917036422798
Energy: 1.4755887506323155
Energy: 1.3448917036422798
Energy: 1.4755887506323155
Energy: 1.4706246544381705
Energy: 1.2699147992431408
Energy: 1.4706246544381705
Energy: 1.2699147992431408
Energy: 1.4706246544381705
Energy: 1.269914799249994
Energy: 1.4754624741970785
Energy: 1.2733099612550596
Energy: 1.4754624741970785
Energy: 1.2733099586382104
Energy: 1.4754624741970785
Energy: 1.2733099542129553
Energy: 1.4004935278187847
Energy: 1.3959112282974275
Energy: 1.4004935278187847
Energy: 1.3959112282974275
Energy: 1.4004935278119313
Energy: 1.3959112282974275
Energy: 1.502661173305857
Energy: 1.4508376728829617
Energy: 1.502661173305857
Energy: 1.4508376728761085
Energy: 1.502661173305857
Energy: 1.450837672889815
Energy: 1.4704271605946015
Energy: 1.2755119008844447
Energy: 1.4704271605946015
Energy: 1.2755119008844447
Energy: 1.4704271605946015
Energy: 1.2755119008844447
Energy: 1.351725045177432
Energy: 1.4708319882146177
Energy: 1.3517250451842855
Energy: 1.4708319882146177
Energy: 1.351725045177432
Energy: 1.4708319882146177
Energy: 1.3672119531597777
Energy: 1.1240415556803123
Energy: 1.3672119531597777
Energy: 1.1240415556803123
Energy: 1.3672119531597777
Energy: 1.1240415556803123
Energy: 1.337226153253944
Energy: 1.3170490932321453
Energy: 1.3372261532470908
Energy: 1.3170490932321453
Energy: 1.3372261532470908
Energy: 1.3170490932321453
Energy: 1.4960545653996884
Energy: 0.2337283804580061
Energy: 1.496054565406542
Energy: 0.051435204308068194
Energy: 1.4960545653996884
Energy: -0.2376730927055374
Energy: 1.302374352122026
Energy: 1.353633877809555
Energy: 1.3170034855591082
Energy: 1.353633877809555
Energy: 1.302374352156168
Energy: 1.353633877809555
Energy: 1.488145510239275
Energy: 1.348859177746776
Energy: 1.4699423387566681
Energy: 1.3488591777536294
Energy: 1.488145510239275
Energy: 1.3488591777536294
Energy: 1.4454085580251816
Energy: 1.3778353618693422
Energy: 1.4454085580251816
Energy: 1.3778353618693422
Energy: 1.4454085580251816
Energy: 1.377835361862489
Energy: 1.4002477919759988
Energy: 1.1058960109464235
Energy: 1.4002477919759988
Energy: 1.105896010953277
Energy: 1.4002477919828522
Energy: 1.1058960109464235
Energy: 1.4809290241202968
Energy: 1.4595061037130477
Energy: 1.4809290241202968
Energy: 1.4595061037199013
Energy: 1.4809290241134434
Energy: 1.4595061037130477
Energy: 1.375133552114846
Energy: 1.0878339537990718
Energy: 1.3751335521216994
Energy: 1.0878339537922186
Energy: 1.3751335521216994
Energy: 1.0878339537922186
Energy: 1.4181662164940936
Energy: 1.4749594944141282
Energy: 1.4181662164940936
Energy: 1.4749594944141282
Energy: 1.4181662164940936
Energy: 1.4749594944141282

minimum gb energy = -0.2376730927055374 eV
minimum distance =  2.40066571047439 Angstroms
sigma value = 19


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

Energy: 1.3250667099861353
Energy: 1.2979962242552714
Energy: 1.3250667099802196
Energy: 1.2979962242493557
Energy: 1.3250667099802196
Energy: 1.2979962242552714
Energy: 1.1524244935996921
Energy: 1.078087041916143
Energy: 1.1524244936056078
Energy: 1.078087041271544
Energy: 1.1524244935996921
Energy: 1.0780870290906313
Energy: 1.3335927785539365
Energy: 1.229906415611698
Energy: 1.2876384092622937
Energy: 1.229906415611698
Energy: 1.2296211169510545
Energy: 1.229906415605782
Energy: 1.1894835420725225
Energy: 1.1155386672956449
Energy: 1.1894835420725225
Energy: 1.1155386672956449
Energy: 1.1894835420725225
Energy: 1.1155386672956449
Energy: 1.0411677267860997
Energy: 1.155810038254212
Energy: 1.0411677249884717
Energy: 1.155810038254212
Energy: 1.04116772344522
Energy: 1.1558100382601275
Energy: 1.1047540458822274
Energy: 1.2596348148870917
Energy: 1.1047540458822274
Energy: 1.2596348148930072
Energy: 1.1047540458822274
Energy: 1.2596348148870917
Energy: 1.1129127208392045
Energy: 1.3039578995769303
Energy: 1.1129126974824075
Energy: 1.303957899582846
Energy: 1.112912637700972
Energy: 1.303957899582846
Energy: 1.1334057736227414
Energy: 1.073662156030149
Energy: 1.1334057736345728
Energy: 1.0736621558350377
Energy: 1.1334057736345728
Energy: 1.0736621560893065
Energy: 1.2384610013525963
Energy: 1.2819188721345223
Energy: 1.2384609963914524
Energy: 1.2819188721345223
Energy: 1.238460982590276
Energy: 1.2819188721345223
Energy: 1.1096990579889625
Energy: 1.0810650539972388
Energy: 1.1096990579712154
Energy: 1.0810650539972388
Energy: 1.109699057912058
Energy: 1.0810650540031543
Energy: 1.3066130646711402
Energy: 1.1409604662805537
Energy: 1.306613064677056
Energy: 1.1409604653461916
Energy: 1.306613064677056
Energy: 1.1409604495701302
Energy: 1.206886044601142
Energy: 1.2407906788686882
Energy: 1.206886044601142
Energy: 1.240790678874604
Energy: 1.206886044601142
Energy: 1.2407906788627725
Energy: 0.08221876053569073
Energy: 1.2772541753656297
Energy: 0.11821863969899028
Energy: 1.2772540411204616
Energy: 0.08205189006346092
Energy: 1.2772539844670476
Energy: 1.2721814042275612
Energy: 1.1331203269571637
Energy: 1.2721814042275612
Energy: 1.1331203269571637
Energy: 1.2721814042275612
Energy: 1.1331203269571637
Energy: 1.188387808077416
Energy: 1.100186789828166
Energy: 1.1883878080892476
Energy: 1.1001867899759519
Energy: 1.1883878080833319
Energy: 1.1001867898104192
Energy: 1.0533467735399857
Energy: 1.206376296538832
Energy: 1.0533467735518172
Energy: 1.2063762965329163
Energy: 1.053346773510407
Energy: 1.2063762965329163
Energy: 1.1799463761051114
Energy: 1.219940984615462
Energy: 1.1799463761051114
Energy: 1.219940984615462
Energy: 1.1799463761110272
Energy: 1.2199409846213778
Energy: 1.2657253127430688
Energy: 0.9911760044358792
Energy: 1.2657253127430688
Energy: 0.9911759365830256
Energy: 1.2657253127430688
Energy: 0.9911756201020511
Energy: 1.246842636262879
Energy: 1.267138220783133
Energy: 1.246842636262879
Energy: 1.267138220783133
Energy: 1.2468426362569631
Energy: 1.2671382207772173
Energy: 1.1245847065411108
Energy: 1.230783078771873
Energy: 1.1245847065351948
Energy: 1.230783078771873
Energy: 1.1245847065470265
Energy: 1.230783078777789
Energy: 1.1466185416794792
Energy: 1.0913578107493858
Energy: 1.1466185416794792
Energy: 1.0913578107612172
Energy: 1.1466185416735633
Energy: 1.091357810767133
Energy: 1.3809768172487598
Energy: 1.2178921265985065
Energy: 1.380976817201434
Energy: 1.2178921265985065
Energy: 1.3809768171541081
Energy: 1.2178921265985065
Energy: 1.0986756677741376
Energy: 1.2172471373960834
Energy: 1.0986756677504748
Energy: 1.2172471374019989
Energy: 1.0986756677504748
Energy: 1.2172471374019989
Energy: 0.2873244731490445
Energy: 1.3217169707709218
Energy: 0.2504647583417898
Energy: 1.3217169707709218
Energy: 0.28631772451088877
Energy: 1.3217169707709218
Energy: 1.1580490780589858
Energy: 1.2249880056251756
Energy: 1.1580490780649013
Energy: 1.2249880056251756
Energy: 1.1580490780649013
Energy: 1.2249880056251756
Energy: 1.1658366208865518
Energy: 1.1308732535168091
Energy: 1.1658366208865518
Energy: 1.1308732535168091
Energy: 1.1658366208983835
Energy: 1.1308732535227248
Energy: 1.273963799790013
Energy: 1.2287494530552738
Energy: 1.273963799790013
Energy: 1.2287494473490708
Energy: 1.273963799790013
Energy: 1.2287494070749072
Energy: 1.217647566474908
Energy: 0.5645968458372469
Energy: 1.217647566474908
Energy: 0.2578780474166226
Energy: 1.217647566468992
Energy: -0.5937212899077218
Energy: 1.2141832757205928
Energy: 1.3077208616823097
Energy: 1.2141832757205928
Energy: 1.3077208616823097
Energy: 1.214183275714677
Energy: 1.307720861676394

minimum gb energy = -0.5937212899077218 eV
minimum distance =  2.36581635242935 Angstroms
sigma value = 101


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

Energy: 1.2376812701107354
Energy: 1.1233494360987248
Energy: 1.2376812701159354
Energy: 1.1233494361039251
Energy: 1.2376812701159354
Energy: 1.1233494360987248
Energy: 1.2587306884214728
Energy: 1.2551015369291239
Energy: 1.2587306775371399
Energy: 1.2551015369187237
Energy: 1.2587306203393183
Energy: 1.2551015369135234
Energy: 1.134836064956362
Energy: 1.2008380355271757
Energy: 1.134836064956362
Energy: 1.2008380355219757
Energy: 1.134836064956362
Energy: 1.2008380355271757
Energy: 1.2408181917648569
Energy: 1.0854883843680967
Energy: 1.2408181917648569
Energy: 1.0889149390849213
Energy: 1.2408181917596566
Energy: 1.0427968634436913
Energy: 1.0071117837973704
Energy: 1.1970967724046964
Energy: 1.0071117837973704
Energy: 1.1970967724046964
Energy: 1.0071117837973704
Energy: 1.197096772409802
Energy: 1.109301747195065
Energy: 1.217973771533502
Energy: 1.109301747195065
Energy: 1.2179737715387022
Energy: 1.109301747195065
Energy: 1.217973771533502
Energy: 1.2647152754051592
Energy: 1.2691222299207823
Energy: 1.264715275394759
Energy: 1.2691222299259826
Energy: 1.2647152753895587
Energy: 1.2691222299207823
Energy: 1.1828370019588854
Energy: 1.3056471201072544
Energy: 1.1828370019588854
Energy: 1.3056666193855142
Energy: 1.1828370019536851
Energy: 1.0743662093251864
Energy: 1.0642246474229966
Energy: 1.2458118183036375
Energy: 1.0642246474333972
Energy: 1.2458118183036375
Energy: 1.0642246474177963
Energy: 1.2458118183036375
Energy: 0.9661644579210652
Energy: 0.020325834442154394
Energy: 0.9661644579262654
Energy: 1.095368379667048
Energy: 0.9661644579210652
Energy: 0.5455738749640151
Energy: 1.2514941357772915
Energy: 1.3276716001211968
Energy: 1.2514941357824918
Energy: 1.327671599341448
Energy: 1.2514941357824918
Energy: 1.3276715946270283
Energy: 1.3523670983532812
Energy: 1.1246149148073776
Energy: 1.3523670983584812
Energy: 1.124614874887505
Energy: 1.3523670983636813
Energy: 1.1238386196058843
Energy: 1.11915875177204
Energy: 1.197454583956444
Energy: 1.11915875177204
Energy: 1.1974545839616444
Energy: 1.11915875177204
Energy: 1.197454583956444
Energy: 1.23130488827683
Energy: 1.0500051317955796
Energy: 1.23130488827163
Energy: 1.142353707127795
Energy: 1.23130488826643
Energy: 1.0500051317851793
Energy: 1.1267324349370758
Energy: 1.2467011200156957
Energy: 1.126732434942276
Energy: 1.2467011200156957
Energy: 1.1267324349370758
Energy: 1.2467011200156957
Energy: 1.1315730794264063
Energy: 1.1650932624083028
Energy: 1.1315730794264063
Energy: 1.1650932624083028
Energy: 1.1315730794264063
Energy: 1.165093262413503
Energy: 1.1632802733068235
Energy: 1.1201445212580192
Energy: 1.1632802733016232
Energy: 1.120143273942499
Energy: 1.1632802733068235
Energy: 1.1201422811268968
Energy: 1.1078881026926322
Energy: 1.125128275409017
Energy: 1.1078881026926322
Energy: 1.125128275409017
Energy: 1.1078881026926322
Energy: 1.125128275409017
Energy: 1.0187532409320925
Energy: 1.2462962405693307
Energy: 1.0187532409476932
Energy: 1.2462962405641307
Energy: 1.018753240942493
Energy: 1.2462962405693307
Energy: 1.1716293691311366
Energy: 0.1939253636848896
Energy: 1.1716293691207362
Energy: 0.0967212356424381
Energy: 1.1716293691363369
Energy: 0.20610462515531394
Energy: 1.182433450369531
Energy: 1.3290098704311137
Energy: 1.182433450369531
Energy: 1.3290098704259135
Energy: 1.182433450369531
Energy: 1.3290098704259135
Energy: 1.4323589012748301
Energy: 1.2426701025302136
Energy: 1.4323589012748301
Energy: 1.2426701025354139
Energy: 1.4323589012748301
Energy: 1.2426701025302136
Energy: 1.087861210833429
Energy: 1.1557600009481828
Energy: 1.0878612108230286
Energy: 1.1557600009637832
Energy: 1.0878612108282286
Energy: 1.155760000932582
Energy: 1.1689982946103055
Energy: 1.1976082677433637
Energy: 1.1689982946103055
Energy: 1.1976109177657026
Energy: 1.1689982946103055
Energy: 1.1970127629926914
Energy: 1.231396360170404
Energy: 1.2324733280606517
Energy: 1.2313963601756044
Energy: 1.232473328071052
Energy: 1.231396360170404
Energy: 1.2324733280658517
Energy: 1.08188523436027
Energy: 1.2424163630010707
Energy: 1.08188523436027
Energy: 1.2424163629958707
Energy: 1.0818852343550698
Energy: 1.2424163630010707
Energy: 1.2092861881555672
Energy: 1.11007180730064
Energy: 1.2092861881555672
Energy: 1.11007180730064
Energy: 1.209286188150367
Energy: 1.11007180730064
Energy: 1.1764893875054805
Energy: 1.1013356381015333
Energy: 1.1764788331473783
Energy: 1.1013356381015333
Energy: 1.0104501384400837
Energy: 1.1013356381015333
Energy: 1.2354648496540621
Energy: 1.2289172397964394
Energy: 1.235464849212233
Energy: 1.2289172397964394
Energy: 1.235464845448885
Energy: 1.2289172397964394
Energy: 1.0215045112353347
Energy: 1.0623396052259806
Energy: 1.0215045112457348
Energy: 0.31200392347533373
Energy: 1.0215045112353347
Energy: 0.31865211198445603
Energy: 1.175333872597848
Energy: 1.148671093450788
Energy: 1.175333872592648
Energy: 1.148671093445588
Energy: 1.175333872592648
Energy: 1.148671093450788
Energy: 1.3598354894290323
Energy: 1.2231517163236956
Energy: 1.3598354894342324
Energy: 1.2231517163184955
Energy: 1.3598354894342324
Energy: 1.2231517163236956
Energy: 1.280818707502463
Energy: 1.2080838913601069
Energy: 1.2808187075076631
Energy: 1.2080838913549066
Energy: 1.280818707502463
Energy: 1.2080838913601069

minimum gb energy = 0.020325834442154394 eV
minimum distance =  2.34384645966425 Angstroms
sigma value = 33


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

Energy: 0.058497207756355425
Energy: 0.8039990021150576
Energy: 0.058497207756355425
Energy: 0.8039990021150576
Energy: 0.058497207756355425
Energy: 0.8039990021150576
Energy: 0.05975653725679788
Energy: 2.420334897103891
Energy: 0.05975653725679788
Energy: 2.420334897103891
Energy: 0.05975653725679788
Energy: 2.420334897103891
Energy: 1.7557497612301998
Energy: 0.3257527835513818
Energy: 2.004295567630356
Energy: 0.32575278354715714
Energy: -0.2697240531686626
Energy: 0.32575278354715714
Energy: 0.05975653725679788
Energy: 2.4203348970996665
Energy: 0.05975653726102255
Energy: 2.4203348970996665
Energy: 0.05975653725679788
Energy: 2.4203348970996665

minimum gb energy = -0.2697240531686626 eV
minimum distance =  2.56418209810624 Angstroms
sigma value = 1