Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.17069959640503
cohesive_energy=3.1278918027780973
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-9.379782886089599e-20, -1.472461209358092e-19, -1.64482657599708e-19, -1.4656247216608139e-19, -1.0237572234166859e-19, -4.3338397296709794e-20, 2.1723752762742598e-20, 8.702142278739299e-20, 1.490991984306936e-19, 2.06089582608054e-19, 2.5714774758036596e-19, 3.0205515645475197e-19, 3.4098484430768396e-19, 3.7431492482478595e-19, 4.0253245970279397e-19, 4.2616136070102593e-19, 4.45719130872264e-19, 4.61692831913244e-19, 4.74515051515146e-19, 4.84575118600032e-19, 4.921502097255839e-19, 4.97261153188044e-19, 5.00170705955388e-19, 5.0110477493301e-19, 5.001162319498319e-19, 4.96945524391146e-19, 4.91225753807766e-19, 4.825195259786099e-19, 4.7029491826119e-19, 4.53906253472004e-19, 4.3255564764732e-19, 4.0524494474415595e-19, 3.70713231751554e-19, 3.27375955978488e-19, 2.7331050546415797e-19, 2.0627703727423198e-19, 1.2388029734087998e-19, 2.3867465099034595e-20, -9.71021579508576e-20, -2.4063090866046e-19, -4.06662871065246e-19, -5.97313879628076e-19, -8.187154643272678e-19, -1.0826804734853039e-18, -1.4047339986856438e-18, -1.79400524238882e-18, -2.2418616768908397e-18, -2.74367942042598e-18, -3.3508242558802798e-18, -4.0882420734451195e-18, -4.74305166376092e-18, -5.738740354726559e-18, -9.74049693346836e-18, -2.24165339392842e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -7.72422066253157 eV

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

Energy: 0.007840237117863054
Energy: 0.008442119829721964
Energy: 5.824156709712389
Energy: 0.008442119829721964
Energy: 0.008442119829721964
Energy: 0.22496534416818934
Energy: 1.7022594094044579
Energy: 0.22496534416818934
Energy: 5.824156709713181
Energy: 1.7022594094044579
Energy: 1.8932734555381647
Energy: 1.7022594094044579
Energy: 0.008442119829721964
Energy: 0.22496534416818934
Energy: 1.7022594094044579
Energy: 0.22496534416818934

minimum gb energy = 0.007840237117863054 eV
minimum distance =  2.69433241388719 Angstroms
sigma value = 1


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

Energy: 3.091594370340631
Energy: 1.9955470550938543
Energy: 2.2252750895678552
Energy: 1.9955470550938543
Energy: 3.1400188033902183
Energy: 1.7538588244953077
Energy: 1.7531408823696328
Energy: 1.7538588244953077
Energy: 3.1354547269437445
Energy: 1.7533931904586253
Energy: 1.7522466599608981
Energy: 1.7533931904586253
Energy: 3.133531809258302
Energy: 1.75290391825844
Energy: 1.7533586215686456
Energy: 1.75290391825844
Energy: 2.8574963416439987
Energy: 1.7537302094711202
Energy: 2.652256076646308
Energy: 1.7537302094711202
Energy: 3.1337300847023926
Energy: 1.9249706891358096
Energy: 2.1064414775426146
Energy: 1.9249706891358096
Energy: 2.8764704968451196
Energy: 1.927176033602106
Energy: 2.104271967333846
Energy: 1.927176033602106
Energy: 2.644269483137061
Energy: 2.0183289616591726
Energy: 2.110639897007468
Energy: 2.018328961660161
Energy: 2.4265799968276793
Energy: 1.923412885301219
Energy: 2.1061143870612393
Energy: 1.923412885301219
Energy: 2.646300056661099
Energy: 2.0551586910190105
Energy: 2.6456906271710405
Energy: 2.0551586910190105
Energy: 2.6344088539830213
Energy: 2.057051106566124
Energy: 2.4961788269513074
Energy: 2.057051106566124
Energy: 2.10677332957181
Energy: 2.0142994117031883
Energy: 2.6426509691731144
Energy: 2.0142994117031883
Energy: 2.1056884877770337
Energy: 1.925943365424318
Energy: 2.643719223882371
Energy: 1.925943365424318
Energy: 2.1068017224407463
Energy: 1.9222428819231516
Energy: 3.1338945146646484
Energy: 1.9222428819231516
Energy: 2.1063313474822865
Energy: 1.752102663915236
Energy: 2.782257787097063
Energy: 1.7521026639162247
Energy: 1.7528676340241127
Energy: 1.7525099206309689
Energy: 3.1093776734340826
Energy: 1.7525099206309689
Energy: 1.754014956487441
Energy: 1.7533484169979348
Energy: 3.1329271641065843
Energy: 1.7533484169979348
Energy: 1.752963142755704
Energy: 1.7531449500226846
Energy: 3.1328903168885054
Energy: 1.7531449500236733
Energy: 1.7533854325433251
Energy: 1.7547070012956647
Energy: 2.9464155781327905
Energy: 1.7547070012956647
Energy: 1.8727951819191164
Energy: 1.7548885664158362
Energy: 3.1285680670643785
Energy: 1.7548885664158362
Energy: 1.8744076850235833
Energy: 1.7539775888512454
Energy: 3.137776500241571
Energy: 1.7539775888512454
Energy: 1.8745736664307326
Energy: 1.753892069724382
Energy: 2.952028405124641
Energy: 1.753892069724382
Energy: 1.8737946100379523
Energy: 1.7571070525029995
Energy: 2.6404726943411996
Energy: 1.7571070525029995
Energy: 2.361046011517483
Energy: 2.058184636411554
Energy: 2.952860610149891
Energy: 2.058184636411554
Energy: 2.3589562967782003
Energy: 2.0571740504039147
Energy: 2.9518384304249685
Energy: 2.0571740504039147
Energy: 2.3574965799512926
Energy: 2.0570978442714347
Energy: 2.3609620742749655
Energy: 2.0570978442714347
Energy: 2.3594928194489477
Energy: 2.056522385228274
Energy: 2.359032375111004
Energy: 2.056522385228274
Energy: 2.9485016130886263
Energy: 2.0559962311285043
Energy: 2.361772484320266
Energy: 2.0559962311285043
Energy: 2.7835041762057724
Energy: 2.059369197155731
Energy: 2.359689017945925
Energy: 2.059369197155731
Energy: 2.7931119056661706
Energy: 1.7573755735532457
Energy: 1.8757931727055328
Energy: 1.7573755735532457
Energy: 2.951771956404205
Energy: 1.7558705661773064
Energy: 1.862882910054708
Energy: 1.7558705661773064
Energy: 3.1321892500111588
Energy: 1.7548785933374407
Energy: 1.8756347367215813
Energy: 1.754878593336452
Energy: 3.106593830950385
Energy: 1.752700398197469
Energy: 1.875762732642059
Energy: 1.752700398197469

minimum gb energy = 1.752102663915236 eV
minimum distance =  2.54029419281769 Angstroms
sigma value = 1


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

Energy: 3.4691373318612797
Energy: 2.0181551016003185
Energy: 2.303122750296528
Energy: 2.0181551016003185
Energy: 2.9911116022954447
Energy: 1.8218847143785595
Energy: 1.8208845794356496
Energy: 1.8218847143785595
Energy: 3.0217992075737903
Energy: 1.8206136434745552
Energy: 1.8204851021261685
Energy: 1.8206136434756828
Energy: 3.023022688210129
Energy: 2.008208281472075
Energy: 1.820345912852977
Energy: 2.008208281472075
Energy: 2.6684989835905952
Energy: 1.8224568083764323
Energy: 2.0907590890222405
Energy: 1.8224568083764323
Energy: 3.0230312772355896
Energy: 2.0077039176392057
Energy: 2.089078787238397
Energy: 2.0077039176392057
Energy: 3.022506305865869
Energy: 2.0076975132866437
Energy: 2.089769038546432
Energy: 2.0076975132866437
Energy: 2.6745211004549367
Energy: 2.0080072954214505
Energy: 2.0894159209277583
Energy: 2.0080072954214505
Energy: 2.6746577378058047
Energy: 2.008257652124176
Energy: 2.0896853921417424
Energy: 2.008257652124176
Energy: 2.6730832660045523
Energy: 2.1427227666710786
Energy: 2.675418366654284
Energy: 2.1427227666710786
Energy: 2.4687600075562073
Energy: 2.142697290277916
Energy: 2.3405336335579325
Energy: 2.142697290277916
Energy: 2.089736524876257
Energy: 2.1446653957092097
Energy: 2.342638678642785
Energy: 2.1446653957092097
Energy: 2.090702463370039
Energy: 2.0073662244126322
Energy: 2.6738402890554003
Energy: 2.0073662244126322
Energy: 2.089648156159817
Energy: 2.0074582105720777
Energy: 3.022547329714437
Energy: 2.0074582105720777
Energy: 2.089735193303049
Energy: 1.8246399360560428
Energy: 2.9840546973465267
Energy: 1.8246399360560428
Energy: 1.82078199514915
Energy: 1.8222230437987428
Energy: 2.983712984583664
Energy: 1.8222230437976155
Energy: 1.8221266923165589
Energy: 1.820741941164216
Energy: 3.022783143251086
Energy: 1.820741941164216
Energy: 1.8205719164527325
Energy: 1.8209170826605692
Energy: 3.0226584917404593
Energy: 1.8209170826605692
Energy: 1.8210977414111797
Energy: 2.0083358082661595
Energy: 2.667556501706475
Energy: 2.0083358082661595
Energy: 2.08894687215531
Energy: 2.0077417595855964
Energy: 3.023568462343422
Energy: 2.0077417595855964
Energy: 2.088359437650792
Energy: 2.0077702345294783
Energy: 3.0230052941028034
Energy: 2.007770234530606
Energy: 2.0947912063974092
Energy: 2.008872285367459
Energy: 2.6725825025759478
Energy: 2.008872285367459
Energy: 2.0895412894319794
Energy: 2.00837593687568
Energy: 2.674205048305512
Energy: 2.00837593687568
Energy: 2.678972817743442
Energy: 2.1447555158813985
Energy: 2.672742397738607
Energy: 2.1447555158813985
Energy: 2.3403491958995315
Energy: 2.141831727702375
Energy: 2.6730108342898364
Energy: 2.141831727702375
Energy: 2.341770145586488
Energy: 2.1419829152094705
Energy: 2.0895680539438786
Energy: 2.1419829152094705
Energy: 2.6731539929476904
Energy: 2.007876892746668
Energy: 2.1019743461451013
Energy: 2.007876892746668
Energy: 3.0230021505941624
Energy: 2.0072637479785493
Energy: 2.090304751826836
Energy: 2.0072637479785493
Energy: 2.984389220048131
Energy: 2.0081429858468143
Energy: 2.0903602301114743
Energy: 2.0081429858468143

minimum gb energy = 1.820345912852977 eV
minimum distance =  2.40129123054204 Angstroms
sigma value = 25


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

Energy: 3.315348463710329
Energy: 2.2499797920101225
Energy: 2.6006822303837307
Energy: 2.2499797920101225
Energy: 2.9486563694375407
Energy: 1.942958463737927
Energy: 1.94219840773761
Energy: 1.942958463737927
Energy: 2.958735167690423
Energy: 1.9420404640155708
Energy: 1.943613232411439
Energy: 1.9420404640155708
Energy: 2.9592755772905743
Energy: 1.9425546239484792
Energy: 1.9418802273313616
Energy: 1.9425546239484792
Energy: 2.7511707975248285
Energy: 1.9425407084112247
Energy: 2.8361340413843403
Energy: 1.9425407084112247
Energy: 2.9595545200578868
Energy: 2.035753468199257
Energy: 2.4200754634719166
Energy: 2.035753468199257
Energy: 2.9597453899640747
Energy: 2.0345294607579523
Energy: 2.419207626775391
Energy: 2.0345294607579523
Energy: 2.424071931579106
Energy: 2.032226882346039
Energy: 2.420875755700817
Energy: 2.032226882346039
Energy: 2.4192337796273224
Energy: 2.033057611489934
Energy: 2.420588204710969
Energy: 2.033057611489934
Energy: 2.4196225921913026
Energy: 2.0353389460849742
Energy: 2.9582273833759873
Energy: 2.0353389460849742
Energy: 2.5195174718024425
Energy: 1.9443152459827546
Energy: 2.9356840226230974
Energy: 1.9443152459827546
Energy: 1.9422217971681988
Energy: 1.943694429616526
Energy: 2.9360471680977076
Energy: 1.943694429616526
Energy: 1.9415813734253213
Energy: 1.9420175446262593
Energy: 2.962177704426951
Energy: 1.9420175446262593
Energy: 1.941938826857472
Energy: 1.9435977289470865
Energy: 2.9594027344922123
Energy: 1.9435977289470865
Energy: 1.9602232429602329
Energy: 1.9439696816000005
Energy: 2.751381922706002
Energy: 1.9439696816000005
Energy: 2.10932337907641
Energy: 1.9427907745759139
Energy: 2.952371455045934
Energy: 1.9427907745759139
Energy: 2.112490260883576
Energy: 1.9423235668861973
Energy: 2.9586560649633378
Energy: 1.9423235668861973
Energy: 2.109173575264804
Energy: 1.9457960727758206
Energy: 2.756198941038957
Energy: 1.9457960727758206
Energy: 2.1093136554478775
Energy: 1.942521928855653
Energy: 2.4240489394536433
Energy: 1.942521928855653
Energy: 2.755858348375914
Energy: 1.942544393999616
Energy: 2.75576874019715
Energy: 1.942544393999616
Energy: 2.5643690700435524
Energy: 1.9426391538274874
Energy: 2.7557653178067882
Energy: 1.9426391538274874
Energy: 2.56865400060365
Energy: 1.9424006491632015
Energy: 2.10926347783261
Energy: 1.9424006491632015
Energy: 2.755899733218922
Energy: 1.9448329819503216
Energy: 2.1018174621870203
Energy: 1.9448329819503216
Energy: 2.9594344882055763
Energy: 1.942487798751656
Energy: 2.1098702666463915
Energy: 1.942487798751656
Energy: 2.932306272255483
Energy: 1.9441558547482467
Energy: 2.110853323608205
Energy: 1.9441558547482467

minimum gb energy = 1.9415813734253213 eV
minimum distance =  2.51749653090187 Angstroms
sigma value = 9


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

Energy: 3.371173637323542
Energy: 2.3556346996478976
Energy: 2.7190764798472173
Energy: 2.3556346996478976
Energy: 2.852449567519068
Energy: 2.1609003802392195
Energy: 2.1588927453894264
Energy: 2.1609003802392195
Energy: 2.8479264763752727
Energy: 2.1587993506549075
Energy: 2.1586108888820745
Energy: 2.1587993506549075
Energy: 2.8491852584536694
Energy: 2.1590783590118723
Energy: 2.1587955165942403
Energy: 2.1590783590118723
Energy: 2.7479131258277043
Energy: 2.1588937446126146
Energy: 2.405634144392276
Energy: 2.1588937446126146
Energy: 2.8487953374548702
Energy: 2.1589480292683585
Energy: 2.405049963251448
Energy: 2.1589480292683585
Energy: 3.0318320519640545
Energy: 2.2262283612919913
Energy: 2.2444676375412165
Energy: 2.2262283612919913
Energy: 2.5354955002703514
Energy: 2.226448769063898
Energy: 2.404692745299919
Energy: 2.226448769063898
Energy: 2.533708061257755
Energy: 2.0652075535246976
Energy: 2.4056525298113978
Energy: 2.0652075535246976
Energy: 2.534601615726364
Energy: 2.0672928196926565
Energy: 2.728956119988361
Energy: 2.0672928196926565
Energy: 2.3778864009592144
Energy: 1.9675432310530445
Energy: 2.7258701623120882
Energy: 1.9675432310530445
Energy: 2.153817599935223
Energy: 1.9676201810687763
Energy: 2.7266066605403765
Energy: 1.9676201810687763
Energy: 2.1545219428693425
Energy: 1.966746259307373
Energy: 2.7259790601940326
Energy: 1.966746259307373
Energy: 2.154202219891421
Energy: 2.0991400612801896
Energy: 2.774193969597525
Energy: 2.0991400612801896
Energy: 2.2254778334329406
Energy: 2.0985863562965146
Energy: 2.746854225258335
Energy: 2.0985863562965146
Energy: 2.496594377355504
Energy: 2.099106438790288
Energy: 2.7741462898229305
Energy: 2.099106438790288
Energy: 2.253667467891322
Energy: 2.321735900273035
Energy: 2.7736158472801384
Energy: 2.321735900273035
Energy: 2.254947291823133
Energy: 2.321331211902786
Energy: 2.5516962777516867
Energy: 2.321331211902786
Energy: 2.498698333323823
Energy: 2.285945053022513
Energy: 2.550944575115286
Energy: 2.285945053022513
Energy: 2.8485165894882294
Energy: 2.2871706802569385
Energy: 2.5518156737625066
Energy: 2.2871706802569385
Energy: 2.852378695418819
Energy: 2.159841088460256
Energy: 2.5529524181051584
Energy: 2.159841088460256

minimum gb energy = 1.966746259307373 eV
minimum distance =  2.47909752451948 Angstroms
sigma value = 25


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

Energy: 2.774393207798338
Energy: 2.2203820440712887
Energy: 3.011766555252349
Energy: 2.2203820440712887
Energy: 2.71118013016734
Energy: 2.1744227109699175
Energy: 2.1719210531665705
Energy: 2.1744227109699175
Energy: 2.741819743967581
Energy: 2.174450363482678
Energy: 2.1743977213593495
Energy: 2.174450363482678
Energy: 2.7425874055752995
Energy: 2.174744984724714
Energy: 2.1771815232423477
Energy: 2.174744984724714
Energy: 2.4773869247896974
Energy: 2.2525135649553003
Energy: 2.6750536927289734
Energy: 2.2525135649553003
Energy: 2.7443428038690754
Energy: 2.251291280425488
Energy: 2.7414984718727764
Energy: 2.251291280425488
Energy: 2.673256143708284
Energy: 2.2127324902942473
Energy: 2.703790798152778
Energy: 2.2127324902942473
Energy: 2.1721986356832117
Energy: 2.176455070960694
Energy: 2.7039126157483566
Energy: 2.176455070960694
Energy: 2.17431220522628
Energy: 2.172910042376455
Energy: 2.747541439260126
Energy: 2.172910042376455
Energy: 2.1726920150915254
Energy: 2.175786927273668
Energy: 2.673977761689708
Energy: 2.175786927273668
Energy: 2.1805824120874666
Energy: 2.172245713414311
Energy: 2.73515955351152
Energy: 2.1722457134123774
Energy: 2.4571707887093286
Energy: 2.175297843147977
Energy: 2.7349681708524574
Energy: 2.175297843147977
Energy: 2.4680915694985734
Energy: 2.1738570864323226
Energy: 2.7423071556186778
Energy: 2.1738570864323226
Energy: 2.4616540014695594
Energy: 2.1729143023211197
Energy: 2.465528771084404
Energy: 2.1729143023211197
Energy: 2.4659695373857495
Energy: 2.1733403337221984
Energy: 2.464089221203473
Energy: 2.1733403337221984
Energy: 2.6732923180603967
Energy: 2.1758933972237897
Energy: 2.465270213059105
Energy: 2.1758933972237897
Energy: 2.7116791478655036
Energy: 2.1723807697524347
Energy: 2.4581939706334452
Energy: 2.1723807697524347

minimum gb energy = 2.1719210531665705 eV
minimum distance =  2.48298937600193 Angstroms
sigma value = 17


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

Energy: 3.0189141170033214
Energy: 2.502824323929819
Energy: 2.6504417609099074
Energy: 2.502824323929819
Energy: 2.497311394441846
Energy: 2.225949602921509
Energy: 2.2204293683250245
Energy: 2.225949602921509
Energy: 2.629253150081571
Energy: 2.2214794896696817
Energy: 2.220221232329296
Energy: 2.2214794896696817
Energy: 2.627710400025042
Energy: 2.2238044156594348
Energy: 2.2214557612639343
Energy: 2.2238044156594348
Energy: 2.629124540271504
Energy: 2.2686983083043057
Energy: 2.7376861292259034
Energy: 2.2686983083032106
Energy: 2.6331756356846037
Energy: 2.33444231970902
Energy: 2.5572175373011685
Energy: 2.33444231970902
Energy: 2.4845942842406172
Energy: 2.205798447037751
Energy: 2.669703808110784
Energy: 2.205798447037751
Energy: 2.2076210889904018
Energy: 2.2084731635373442
Energy: 2.613596256938668
Energy: 2.2084731635373442
Energy: 2.2093623738459836
Energy: 2.2071461102289067
Energy: 2.609734799778617
Energy: 2.2071461102289067
Energy: 2.2113834845091147
Energy: 2.209486014001013
Energy: 2.647438340818251
Energy: 2.209486014001013
Energy: 2.205905378557814
Energy: 2.210602177155597
Energy: 2.62057598521488
Energy: 2.210602177155597
Energy: 2.616278135704209
Energy: 2.2134414334008365
Energy: 2.647494725577977
Energy: 2.2134414334008365
Energy: 2.670167747928267
Energy: 2.2148108099030233
Energy: 2.60713649128863
Energy: 2.2148108099030233
Energy: 2.670564465647971
Energy: 2.2100629056018426
Energy: 2.2079868506830107
Energy: 2.2100629056018426
Energy: 2.6474678610369353
Energy: 2.2083714735898345
Energy: 2.213555916722088
Energy: 2.2083714735898345
Energy: 2.5567598070704474
Energy: 2.2083250096150393
Energy: 2.2082885919616846
Energy: 2.2083250096150393
Energy: 2.6123878821206055
Energy: 2.2076317288282863
Energy: 2.2413319831545224
Energy: 2.2076317288282863
Energy: 2.6445365517749275
Energy: 2.207829411888274
Energy: 2.596172952892302
Energy: 2.207829411888274
Energy: 2.55652639894943
Energy: 2.331047710774866
Energy: 2.6280541352302387
Energy: 2.331047710774866
Energy: 2.219146923886181
Energy: 2.2735414365437174
Energy: 2.5655463695002516
Energy: 2.2735414365437174
Energy: 2.2219033538565176
Energy: 2.222753430884923
Energy: 2.6303284328767047
Energy: 2.222753430884923
Energy: 2.220934411550721
Energy: 2.222321152788172
Energy: 2.6296585870254794
Energy: 2.222321152788172
Energy: 2.2205825094905913
Energy: 2.2250076341295904
Energy: 2.555713783497143
Energy: 2.2250076341284957
Energy: 2.596856152133011
Energy: 2.3631197452327255
Energy: 2.647068609724763
Energy: 2.3631197452327255
Energy: 2.400315385047012
Energy: 2.2256759835444733
Energy: 2.5972371109830346
Energy: 2.2256759835444733
Energy: 2.3992373389806145
Energy: 2.22389412295961
Energy: 2.6283558838718943
Energy: 2.22389412295961
Energy: 2.4007875350014367
Energy: 2.32441386047402
Energy: 2.4044740631002526
Energy: 2.32441386047402
Energy: 2.6289903788023787
Energy: 2.2240105688418588
Energy: 2.3996337614843224
Energy: 2.2240105688418588
Energy: 2.4909632081830693
Energy: 2.2256034618847838
Energy: 2.4002786221296355
Energy: 2.2256034618847838
Energy: 2.537751105704238
Energy: 2.2214499136161368
Energy: 2.457718867016605
Energy: 2.2214499136161368

minimum gb energy = 2.205798447037751 eV
minimum distance =  2.44942569458592 Angstroms
sigma value = 53


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

Energy: 1.9819898796494289
Energy: 1.991841941162132
Energy: 3.7253440391305164
Energy: 1.991841941162132
Energy: 1.982910939272073
Energy: 2.045681985433539
Energy: 2.044131242497886
Energy: 2.045681985433539
Energy: 2.3893648280372615
Energy: 2.056769504237773
Energy: 2.0382790842536482
Energy: 2.056769504237773
Energy: 2.3531012775876534
Energy: 2.049045856295879
Energy: 2.0429591652271184
Energy: 2.049045856295879
Energy: 2.353513045801323
Energy: 2.050212839439753
Energy: 2.0392672480003333
Energy: 2.050212839439753
Energy: 2.359950509713018
Energy: 2.060557340254798
Energy: 2.3584248224527378
Energy: 2.060557340254798
Energy: 2.3761198432503647
Energy: 2.0615204407946046
Energy: 1.9833830099682093
Energy: 2.0615204407946046
Energy: 2.0455995705847045
Energy: 2.047966958859231
Energy: 1.9835452869780297
Energy: 2.047966958859231
Energy: 2.04098328228401
Energy: 2.0591046233796364
Energy: 2.389308120012881
Energy: 2.0591046233796364
Energy: 2.0467482840111146
Energy: 2.0443154187265176
Energy: 2.3575432872444164
Energy: 2.0443154187265176
Energy: 2.039234954674801
Energy: 2.0504284381305946
Energy: 2.0371655041311327
Energy: 2.0504284381305946
Energy: 2.3836731617076636
Energy: 2.0577799653088205
Energy: 2.3525568754872195
Energy: 2.0577799653088205
Energy: 1.9834412862864426
Energy: 2.058461754750052
Energy: 2.3851408741195574
Energy: 2.058461754750052

minimum gb energy = 1.9819898796494289 eV
minimum distance =  2.51518834636686 Angstroms
sigma value = 9


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

Energy: 3.153536638912552
Energy: 2.582880100418724
Energy: 3.211189056002518
Energy: 2.582880100418724
Energy: 2.26119167267744
Energy: 2.264669599433679
Energy: 2.3685721437533207
Energy: 2.264669599434612
Energy: 2.367787303128703
Energy: 2.2839972660021424
Energy: 2.3652279811870445
Energy: 2.2839972660021424
Energy: 2.3656127175330273
Energy: 2.282925134792455
Energy: 2.3669673039959767
Energy: 2.282925134792455
Energy: 2.3669953301384035
Energy: 2.357506248654409
Energy: 2.367713490589496
Energy: 2.357506248654409
Energy: 2.369796028313287
Energy: 2.280878794263351
Energy: 2.2631188012095156
Energy: 2.280878794263351
Energy: 2.507988842371228
Energy: 2.4721412861644607
Energy: 2.812034930604291
Energy: 2.4721412861644607
Energy: 2.7919722163848233
Energy: 2.263835872379691
Energy: 2.8493740458712105
Energy: 2.263835872379691
Energy: 2.6253872402597604
Energy: 2.264963973883908
Energy: 2.2625133616860356
Energy: 2.264963973883908
Energy: 2.4637068382657166
Energy: 2.377074742219661
Energy: 2.2640015826708138
Energy: 2.377074742219661
Energy: 2.6253437826687724
Energy: 2.2805696959551947
Energy: 2.263295146019378
Energy: 2.2805696959551947
Energy: 2.557631488614281
Energy: 2.3108080820932253
Energy: 2.284835288938506
Energy: 2.3108080820941583
Energy: 2.8500034313970524
Energy: 2.2855276774266335
Energy: 2.288429917203923
Energy: 2.2855276774266335
Energy: 2.8499693194311027
Energy: 2.28456355492932
Energy: 2.7833502011476376
Energy: 2.28456355492932
Energy: 2.516437025272875
Energy: 2.3109483899054033
Energy: 2.842163049292923
Energy: 2.3109483899054033
Energy: 2.518873139328065
Energy: 2.3302389335881983
Energy: 2.7688051052817206
Energy: 2.3302389335881983
Energy: 2.294180735785264
Energy: 2.2955723085846476
Energy: 2.8409093437456168
Energy: 2.2955723085846476
Energy: 2.3021687634340418
Energy: 2.302433462110314
Energy: 2.8147458475599936
Energy: 2.302433462110314
Energy: 2.371948898583467
Energy: 2.317231642530429
Energy: 2.8547430258853903
Energy: 2.317231642530429
Energy: 2.3022256076025225
Energy: 2.3043903699329062
Energy: 2.8795682966686864
Energy: 2.3043903699329062
Energy: 2.7653843227116033
Energy: 2.315116122167808
Energy: 2.851845969506986
Energy: 2.315116122167808
Energy: 2.8785913094051794
Energy: 2.3646529391145665
Energy: 2.777843573241042
Energy: 2.3646529391145665
Energy: 2.8794782719513767
Energy: 2.3011068224257345
Energy: 2.3299714799349696
Energy: 2.3011068224257345
Energy: 2.855179681521501
Energy: 2.31645640170721
Energy: 2.300326199963651
Energy: 2.31645640170721
Energy: 2.8509347984757407
Energy: 2.3149286017763058
Energy: 2.2953316016342007
Energy: 2.3149286017763058
Energy: 2.6191575922970167
Energy: 2.331539134796969
Energy: 2.2915731062785167
Energy: 2.331539134796969
Energy: 2.842377935791991
Energy: 2.2964482100753143
Energy: 2.537712104423467
Energy: 2.2964482100753143
Energy: 2.843556905792312
Energy: 2.3120862463345473
Energy: 2.779100807265084
Energy: 2.3120862463345473
Energy: 2.287100005843538
Energy: 2.2845527920171764
Energy: 2.877988072664256
Energy: 2.2845527920171764
Energy: 2.2856204741449826
Energy: 2.3106996648158833
Energy: 2.5361367152936936
Energy: 2.3106996648158833
Energy: 2.285455900747401
Energy: 2.279118087732276
Energy: 2.6533308522169086
Energy: 2.279118087731343
Energy: 2.2646695506505714
Energy: 2.2658433811089562
Energy: 2.6255942429465406
Energy: 2.2658433811089562
Energy: 2.262283944149448
Energy: 2.400971991699659
Energy: 2.6212782190574013
Energy: 2.400971991699659
Energy: 2.2664617224341295
Energy: 2.281644506218257
Energy: 2.6629186495844572
Energy: 2.281644506218257
Energy: 2.9150228200613015
Energy: 2.496425396802824
Energy: 2.844922455524463
Energy: 2.496425396773921

minimum gb energy = 2.26119167267744 eV
minimum distance =  2.43860275471269 Angstroms
sigma value = 73


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

Energy: 3.1168205824402144
Energy: 2.6912706820857095
Energy: 2.6592699162880695
Energy: 2.6912706820857095
Energy: 2.3060354229744635
Energy: 2.2913676249840034
Energy: 2.581324606199623
Energy: 2.2913676249840034
Energy: 2.435963233518355
Energy: 2.375196074757083
Energy: 2.435860692549266
Energy: 2.375196074757083
Energy: 2.4336334692292443
Energy: 2.3753459650138544
Energy: 2.4347057724988175
Energy: 2.3753459650138544
Energy: 2.4353867821484667
Energy: 2.4099892619193803
Energy: 2.4337617368923827
Energy: 2.4099892619193803
Energy: 2.5820019362540045
Energy: 2.291739868807267
Energy: 2.4653514664419514
Energy: 2.291739868807267
Energy: 2.7160834535584053
Energy: 2.7150323992181185
Energy: 2.6723703143736754
Energy: 2.7150323992181185
Energy: 2.908660516938448
Energy: 2.3201367832661606
Energy: 2.672513006654123
Energy: 2.3201367832661606
Energy: 2.8386058746854768
Energy: 2.291963762604231
Energy: 2.292026780052032
Energy: 2.291963762604231
Energy: 2.5890275580276403
Energy: 2.29094274678242
Energy: 2.290263843911708
Energy: 2.29094274678242
Energy: 2.8120002131437136
Energy: 2.3179154242055784
Energy: 2.2892801298614547
Energy: 2.3179154242055784
Energy: 2.7133187747869023
Energy: 2.398702458282417
Energy: 2.3232132523703948
Energy: 2.398702458282417
Energy: 2.8176510488241635
Energy: 2.414869806855111
Energy: 2.414499057994047
Energy: 2.414869806855111
Energy: 2.820585103319919
Energy: 2.4126072390445024
Energy: 2.6758720334600743
Energy: 2.4126072390445024
Energy: 2.6758428758778225
Energy: 2.395610556625409
Energy: 2.675771379206776
Energy: 2.395610556625409
Energy: 2.6761816409767696
Energy: 2.4107474915970615
Energy: 2.886981647814255
Energy: 2.4107474915970615
Energy: 2.414564131974798
Energy: 2.3530122389041366
Energy: 2.8875366607784723
Energy: 2.3530122389041366
Energy: 2.3219083359172816
Energy: 2.4062561489310843
Energy: 2.715165353762418
Energy: 2.4062561489310843
Energy: 2.292068599655524
Energy: 2.292585662003555
Energy: 2.838593669647231
Energy: 2.292585662003555
Energy: 2.290318597798813
Energy: 2.2910360194277932
Energy: 2.8330571809612493
Energy: 2.2910360194277932
Energy: 2.291057290460753
Energy: 2.318749804790426
Energy: 2.8128189982880554
Energy: 2.318749804790426
Energy: 3.0142916005912106
Energy: 2.4266077866342215
Energy: 2.6873076050912026
Energy: 2.4266077866342215

minimum gb energy = 2.2892801298614547 eV
minimum distance =  2.49208382431436 Angstroms
sigma value = 7


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

Energy: 3.472484270464122
Energy: 2.462951258950404
Energy: 2.7468562400551595
Energy: 2.462951258950404
Energy: 2.8558798746305194
Energy: 2.3645481335639382
Energy: 2.5665995963738215
Energy: 2.3645481335639382
Energy: 2.572516913490027
Energy: 2.321268404457064
Energy: 2.466717245122057
Energy: 2.321268404457064
Energy: 2.4688099102654686
Energy: 2.3208175289073525
Energy: 2.4667716824799366
Energy: 2.3208175289073525
Energy: 2.465957786163293
Energy: 2.321858164974351
Energy: 2.4676042048101254
Energy: 2.321858164974351
Energy: 2.575345541759909
Energy: 2.3768990194006103
Energy: 2.627145287282045
Energy: 2.3768990194006103
Energy: 2.692479233514706
Energy: 2.692549253760254
Energy: 3.050758325479905
Energy: 2.692549253760254
Energy: 2.9303344005386234
Energy: 2.692185408528149
Energy: 2.8401908648983416
Energy: 2.692185408528149
Energy: 2.8435533089590646
Energy: 2.3438407339779617
Energy: 2.6490549587426364
Energy: 2.3438407339779617
Energy: 2.6873981901512627
Energy: 2.3162653185503004
Energy: 2.3143281060270704
Energy: 2.3162653185503004
Energy: 2.8423668089897425
Energy: 2.3432179546967786
Energy: 2.313646983744008
Energy: 2.3432179546967786
Energy: 2.8520082477126225
Energy: 2.3555790060724404
Energy: 2.3442283764579344
Energy: 2.3555790060724404
Energy: 2.8420426706868267
Energy: 2.3147016612633187
Energy: 2.3153154107665013
Energy: 2.3147016612633187
Energy: 2.841431024254115
Energy: 2.3150262864901463
Energy: 2.314277507388579
Energy: 2.3150262864901463
Energy: 2.8458814560651713
Energy: 2.374278403780116
Energy: 2.6270725837391415
Energy: 2.374278403780116
Energy: 2.8447504197296576
Energy: 2.441577490726036
Energy: 2.8556883353493494
Energy: 2.441577490726036
Energy: 2.565357895138267
Energy: 2.383409404645261
Energy: 2.8552708900657993
Energy: 2.383409404645261
Energy: 2.4675472786677073
Energy: 2.385973942820878
Energy: 2.5697452996453602
Energy: 2.385973942820878
Energy: 2.463257462291604
Energy: 2.320211765526127
Energy: 2.4651686760373637
Energy: 2.320211765526127
Energy: 2.466706756680604
Energy: 2.4189030357963994
Energy: 2.4646982331537304
Energy: 2.4189030357963994
Energy: 2.435388992561604
Energy: 2.379522171850768
Energy: 2.5789671862632244
Energy: 2.3795221718518147
Energy: 2.84069690407985
Energy: 2.691730797212071
Energy: 2.6930040976839695
Energy: 2.691730797212071
Energy: 2.8386549460199806
Energy: 2.692169010379648
Energy: 2.9273722478481816
Energy: 2.692169010379648
Energy: 2.6255671868997683
Energy: 2.3733026832157615
Energy: 2.8421054454636776
Energy: 2.3733026832157615
Energy: 2.3189508815668556
Energy: 2.319015799749103
Energy: 2.6852682788338047
Energy: 2.3190157997480565
Energy: 2.315794662756756
Energy: 2.3151474509119536
Energy: 2.681902693744952
Energy: 2.3151474509119536
Energy: 2.2884433259156
Energy: 2.297043392155796
Energy: 2.852208801721782
Energy: 2.297043392155796
Energy: 2.3164891990571777
Energy: 2.3150205532251737
Energy: 2.8436319394908045
Energy: 2.3150205532251737
Energy: 2.315854437566619
Energy: 2.3160350140265438
Energy: 2.8428746224527655
Energy: 2.3160350140265438
Energy: 2.62646266860691
Energy: 2.3724575673511756
Energy: 2.842239900807483
Energy: 2.3724575673511756
Energy: 2.854645713490858
Energy: 2.4318229045796698
Energy: 2.8445503463341675
Energy: 2.431822904578623

minimum gb energy = 2.2884433259156 eV
minimum distance =  2.42105419599904 Angstroms
sigma value = 29


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

Energy: 2.819928225431033
Energy: 2.1337222435455785
Energy: 3.7682395912104854
Energy: 2.1337222435455785
Energy: 2.7257053528341486
Energy: 2.1625514795449563
Energy: 2.4201435662244193
Energy: 2.1625514795449563
Energy: 2.4116130980717534
Energy: 2.1633893018022547
Energy: 2.412741102074504
Energy: 2.1633893018022547
Energy: 2.4112998731800803
Energy: 2.163627061249756
Energy: 2.050288337338933
Energy: 2.163627061249756
Energy: 2.408279945885548
Energy: 2.161462981995217
Energy: 2.4119445709525524
Energy: 2.161462981995217
Energy: 2.4158670270182645
Energy: 2.1619288725766723
Energy: 2.5553065442208642
Energy: 2.1619288725766723
Energy: 2.58324877658156
Energy: 2.5830586363823387
Energy: 2.400295122052252
Energy: 2.5830586363823387
Energy: 2.556090833163175
Energy: 2.1624671030461537
Energy: 2.5547111600918884
Energy: 2.1624671030461537
Energy: 2.72402722668464
Energy: 2.1630201851920425
Energy: 2.555998526384085
Energy: 2.1630201851920425

minimum gb energy = 2.050288337338933 eV
minimum distance =  2.50330831814995 Angstroms
sigma value = 5


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

Energy: 3.32414911132537
Energy: 2.8274511228397583
Energy: 3.302002883380493
Energy: 2.8274511228397583
Energy: 2.271646754271086
Energy: 2.3286296447586894
Energy: 2.4224332770240125
Energy: 2.3286296447586894
Energy: 2.2747770437652224
Energy: 2.2635227389940535
Energy: 2.6707100324800113
Energy: 2.2635227389940535
Energy: 2.2743893647828806
Energy: 2.262428014866994
Energy: 2.7548700424485584
Energy: 2.262428014866994
Energy: 2.27436999899209
Energy: 2.2638901238452975
Energy: 2.691535768002741
Energy: 2.2638901238452975
Energy: 2.279756993030156
Energy: 2.2193254774973004
Energy: 2.635492604195295
Energy: 2.2193254774973004
Energy: 2.279786453444696
Energy: 2.219547764554149
Energy: 2.620894550606099
Energy: 2.219547764554149
Energy: 2.277263677696554
Energy: 2.2191978105568717
Energy: 2.618757227081757
Energy: 2.2191978105568717
Energy: 2.278206977926893
Energy: 2.2200336173526702
Energy: 2.354728995528255
Energy: 2.2200336173526702
Energy: 2.668147322811087
Energy: 2.7129453120875917
Energy: 2.702706060001073
Energy: 2.7129453120885803
Energy: 2.278674006815913
Energy: 2.220722482259232
Energy: 2.2783293331518206
Energy: 2.220722482259232
Energy: 2.551206421403619
Energy: 2.219305865727841
Energy: 2.4751054234570677
Energy: 2.219305865727841
Energy: 2.663687376716534
Energy: 2.525528049813051
Energy: 2.474518820673468
Energy: 2.525528049813051
Energy: 2.3546591936060572
Energy: 2.2919381368995784
Energy: 2.2788336045548205
Energy: 2.2919381369005674
Energy: 2.6232537289623474
Energy: 2.2201233988095264
Energy: 2.278126452751432
Energy: 2.2201233988095264
Energy: 2.6212016704727583
Energy: 2.220239424200116
Energy: 2.2787250445403053
Energy: 2.220239424200116
Energy: 2.421181595525757
Energy: 2.343012546717524
Energy: 2.2781296060959075
Energy: 2.343012546717524
Energy: 2.6706733035812666
Energy: 2.262827133507227
Energy: 2.274287206561105
Energy: 2.262827133507227
Energy: 2.6710691433644134
Energy: 2.2614405658381993
Energy: 2.2752053617955608
Energy: 2.2614405658381993
Energy: 2.4812125409765637
Energy: 2.263034872557697
Energy: 2.274462189904496
Energy: 2.263034872557697
Energy: 2.7470280062981978
Energy: 2.350105456170913
Energy: 2.3814542598733914
Energy: 2.350105456170913
Energy: 2.9640444440759457
Energy: 2.6608258914568803
Energy: 2.381515454212318
Energy: 2.6608258914568803
Energy: 2.384110074589359
Energy: 2.2626848747326513
Energy: 2.274613294682061
Energy: 2.2626848747326513
Energy: 2.4752391039567976
Energy: 2.4012131463066435
Energy: 2.39995425972243
Energy: 2.4012131463066435
Energy: 2.4756909876921083
Energy: 2.2631580389075676
Energy: 2.3136202109189385
Energy: 2.2631580389075676
Energy: 2.3846947962482847
Energy: 2.2111302035786364
Energy: 2.3829260660755605
Energy: 2.2111302035786364
Energy: 2.3845149311944183
Energy: 2.209580040156376
Energy: 2.391741367900015
Energy: 2.209580040156376
Energy: 2.3852290993804637
Energy: 2.2079311356981086
Energy: 2.3860544493597287
Energy: 2.2079311356981086
Energy: 2.3140342693765246
Energy: 2.328147892380255
Energy: 2.4644155374908934
Energy: 2.328147892380255
Energy: 2.4015818017380153
Energy: 2.4014478755814483
Energy: 2.668780824579948
Energy: 2.4014478755814483
Energy: 2.400451021843562
Energy: 2.4011708810138175
Energy: 2.668707380102569
Energy: 2.4011708810138175
Energy: 2.275126931958597
Energy: 2.264396719190136
Energy: 2.4633721241785502
Energy: 2.264396719190136
Energy: 2.290120582419723
Energy: 2.817184121162109
Energy: 2.8785561560762987
Energy: 2.817184121162109

minimum gb energy = 2.2079311356981086 eV
minimum distance =  2.37996171854533 Angstroms
sigma value = 1


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

Energy: 3.6528692489817325
Energy: 2.474152544585547
Energy: 2.5125185043876566
Energy: 2.474152544585547
Energy: 2.2945833211084357
Energy: 2.4652429361042083
Energy: 2.510632137540942
Energy: 2.4652429361042083
Energy: 2.3544830579253166
Energy: 2.278712893547956
Energy: 2.277634866153254
Energy: 2.278712893547956
Energy: 2.356600388504436
Energy: 2.280553984986515
Energy: 2.5042032915169345
Energy: 2.280553984986515
Energy: 2.35492002399899
Energy: 2.2809658548159555
Energy: 2.2777437612272293
Energy: 2.2809658548159555
Energy: 2.421302098140612
Energy: 2.310940735607721
Energy: 2.6090646505696475
Energy: 2.310940735607721
Energy: 2.420245796512342
Energy: 2.3523272900498795
Energy: 2.608867137589151
Energy: 2.3523272900498795
Energy: 2.4209354712181907
Energy: 2.3098276925178842
Energy: 2.6087369888656466
Energy: 2.3098276925178842
Energy: 2.4207736254119494
Energy: 2.068299162865091
Energy: 2.278471935114473
Energy: 2.068299162865091
Energy: 2.6039863978970383
Energy: 2.7829985892957856
Energy: 2.7968592726205204
Energy: 2.7829985892957856
Energy: 2.4204084760843743
Energy: 2.067205971897295
Energy: 2.2545722007763542
Energy: 2.067205971897295
Energy: 2.2995815194346236
Energy: 2.2316937915098984
Energy: 2.254784240555131
Energy: 2.2316937915098984
Energy: 2.2993528579983833
Energy: 2.232804851173358
Energy: 2.253353052525241
Energy: 2.232804851173358
Energy: 2.2999844346561718
Energy: 2.232825362465555
Energy: 2.254283683659826
Energy: 2.232825362465555
Energy: 2.506980472182706
Energy: 2.3357928726870507
Energy: 2.4382900352450103
Energy: 2.3357928726870507
Energy: 2.503756362587231
Energy: 2.067010471595933
Energy: 2.459059915898549
Energy: 2.067010471595933
Energy: 2.5748623146419907
Energy: 2.0692485930092395
Energy: 2.304259714680085
Energy: 2.0692485930092395
Energy: 2.803126154913041
Energy: 2.3312003005238227
Energy: 2.4448648280447545
Energy: 2.3312003005238227
Energy: 2.573551593242726
Energy: 2.350563545905714
Energy: 2.444049254885044
Energy: 2.350563545905714
Energy: 2.37449454426214
Energy: 2.33529540223221
Energy: 2.445253905447158
Energy: 2.33529540223221
Energy: 2.7194466692674624
Energy: 2.2796223792693895
Energy: 2.6040321107002935
Energy: 2.2796223792693895
Energy: 2.714600921086223
Energy: 2.715038744913075
Energy: 2.6039163557765947
Energy: 2.715038744913075
Energy: 2.3543696926829365
Energy: 2.4687805497294235
Energy: 2.4448848086160995
Energy: 2.4687805497294235
Energy: 2.2939668056581564
Energy: 2.466490444341436
Energy: 2.499759108636745
Energy: 2.466490444341436

minimum gb energy = 2.067010471595933 eV
minimum distance =  2.3742009870855 Angstroms
sigma value = 17


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

Energy: 3.5505069034028507
Energy: 2.729809666397914
Energy: 3.118878813515098
Energy: 2.729809666397914
Energy: 2.259284609464077
Energy: 2.141686443846866
Energy: 2.29419013729679
Energy: 2.141686443846866
Energy: 2.276887983452971
Energy: 2.260567817535958
Energy: 2.41041951670325
Energy: 2.260567817535958
Energy: 2.2788177500632925
Energy: 2.283208096472722
Energy: 2.410502616290503
Energy: 2.283208096472722
Energy: 2.2767654785413756
Energy: 2.3063004802053095
Energy: 2.348483829527731
Energy: 2.3063004802053095
Energy: 2.3497143807307665
Energy: 2.108696990429875
Energy: 2.3484224294340894
Energy: 2.108696990429875
Energy: 2.3491036294671495
Energy: 2.10874199332723
Energy: 2.353449743290375
Energy: 2.10874199332723
Energy: 2.3485074976034803
Energy: 2.1082654095709166
Energy: 2.350012837320646
Energy: 2.1082654095709166
Energy: 2.3469132149586573
Energy: 2.2595071701905836
Energy: 2.280805636150873
Energy: 2.2595071701905836
Energy: 2.7495738423023273
Energy: 2.3052211575068275
Energy: 2.2775275410327347
Energy: 2.3052211575068275
Energy: 2.348354472934073
Energy: 2.259402207386424
Energy: 2.2785145421623727
Energy: 2.259402207386424
Energy: 2.3954670087902707
Energy: 2.283342313419875
Energy: 2.271372980535209
Energy: 2.2833423134190296
Energy: 2.600777770806538
Energy: 2.560689090307465
Energy: 2.2716798829016405
Energy: 2.560689090307465
Energy: 2.2735471921700614
Energy: 2.48634969391573
Energy: 2.2785328821029647
Energy: 2.48634969391573
Energy: 2.4092732368232843
Energy: 2.2596323773048015
Energy: 2.3971977150345696
Energy: 2.2596323773048015
Energy: 2.2835931163574408
Energy: 2.2602574403177647
Energy: 2.3013796661849395
Energy: 2.2602574403177647
Energy: 2.2714404221038045
Energy: 2.144424520716191
Energy: 2.5297010085629767
Energy: 2.1444245207170365
Energy: 2.2715460906989313
Energy: 2.14460715822889
Energy: 2.5296536930918236
Energy: 2.14460715822889
Energy: 2.272907767676485
Energy: 2.1423993486215704
Energy: 2.5303964570474116
Energy: 2.1423993486215704
Energy: 2.4396904721862076
Energy: 2.3141485083787345
Energy: 2.5387256837312986
Energy: 2.3141485083787345
Energy: 2.2607681433293187
Energy: 2.196128505874791
Energy: 2.5991721303219406
Energy: 2.196128505874791
Energy: 2.2601538799336756
Energy: 2.196624688371896
Energy: 2.597813251371562
Energy: 2.1966246883710503
Energy: 2.2603674018635163
Energy: 2.6095934246499244
Energy: 2.3028136746361056
Energy: 2.6095934246499244
Energy: 2.3465183036152046
Energy: 2.610746518611887
Energy: 2.613455111683319
Energy: 2.610746518611887
Energy: 2.2714478234049795
Energy: 2.194631156686254
Energy: 2.372031654785067
Energy: 2.194631156686254
Energy: 2.2599918086848945
Energy: 2.1972695277570016
Energy: 2.263667893217525
Energy: 2.1972695277570016
Energy: 2.6318629764620933
Energy: 2.6355954243189705
Energy: 2.2886809815404767
Energy: 2.635595424318126
Energy: 2.3032572263165663
Energy: 2.196020416682894
Energy: 2.259335821932258
Energy: 2.196020416682894
Energy: 2.757161741317371
Energy: 2.196442805895696
Energy: 2.2587539042110722
Energy: 2.196442805895696
Energy: 2.6406151432033322
Energy: 2.2144704610498094
Energy: 2.267440414596944
Energy: 2.2144704610498094
Energy: 2.596441734868598
Energy: 2.2163337713550155
Energy: 2.2614395832161662
Energy: 2.2163337713550155
Energy: 2.544143301237063
Energy: 2.1443582861034693
Energy: 2.273981211153889
Energy: 2.1443582861034693
Energy: 2.5292972493482013
Energy: 2.144921373062787
Energy: 2.274180402790143
Energy: 2.144921373062787
Energy: 2.529808592849238
Energy: 2.141271904365663
Energy: 2.2730803681494325
Energy: 2.141271904365663
Energy: 2.30129392700127
Energy: 2.259583158950809
Energy: 2.27674842990475
Energy: 2.259583158950809
Energy: 2.398207194684853
Energy: 2.443971706508851
Energy: 2.346547892341784
Energy: 2.443971706508851
Energy: 2.2772029858812144
Energy: 2.259829299569371
Energy: 2.2747318488662565
Energy: 2.259829299569371
Energy: 2.263772529061174
Energy: 2.140609801827634
Energy: 2.4897317175986156
Energy: 2.140609801827634

minimum gb energy = 2.1082654095709166 eV
minimum distance =  2.40348814444157 Angstroms
sigma value = 89


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

Energy: 3.6873517345463958
Energy: 2.262530074654662
Energy: 2.220222326549663
Energy: 2.262530074654662
Energy: 2.169444751065302
Energy: 2.144822999619623
Energy: 2.220485681085263
Energy: 2.144822999619623
Energy: 2.2040852466219714
Energy: 2.1342914823150347
Energy: 2.4883553860942773
Energy: 2.1342914823150347
Energy: 2.2059337615523766
Energy: 2.1425574638694305
Energy: 2.488446256545986
Energy: 2.1425574638694305
Energy: 2.204794238371299
Energy: 2.141226194746557
Energy: 2.3396984243124073
Energy: 2.141226194746557
Energy: 2.338605791669518
Energy: 2.0111575058722404
Energy: 2.339158433498888
Energy: 2.0111575058722404
Energy: 2.3400438188315897
Energy: 2.010536765994779
Energy: 2.3415088874625996
Energy: 2.010536765994779
Energy: 2.340243767474027
Energy: 2.0115527938718984
Energy: 2.34005621145637
Energy: 2.0115527938718984
Energy: 2.452179833274012
Energy: 2.1365836430709164
Energy: 2.205608736735978
Energy: 2.1365836430709164
Energy: 2.4532948742742273
Energy: 2.141252771900312
Energy: 2.2045787619308888
Energy: 2.141252771900312
Energy: 2.452441110116756
Energy: 2.142950774867718
Energy: 2.2049073785783424
Energy: 2.142950774867718
Energy: 2.5236797990936513
Energy: 2.1336760732004585
Energy: 2.449937359588019
Energy: 2.1336760732004585
Energy: 2.5233767406383287
Energy: 2.5252130903346153
Energy: 2.4500095368617596
Energy: 2.5252130903346153
Energy: 2.2056821769549413
Energy: 2.332900294211907
Energy: 2.204753143841829
Energy: 2.332900294211907
Energy: 2.168495875135359
Energy: 2.137763910629902
Energy: 2.2043405487593026
Energy: 2.137763910629902

minimum gb energy = 2.010536765994779 eV
minimum distance =  2.42113148498598 Angstroms
sigma value = 13


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

Energy: 2.891614444496516
Energy: 2.1967495753091812
Energy: 3.0163411505304016
Energy: 2.196749575308255
Energy: 2.101161800703361
Energy: 2.074638409546846
Energy: 2.148459895547538
Energy: 2.074638409547773
Energy: 2.1421641567626906
Energy: 2.0751086374055836
Energy: 2.2924810150977883
Energy: 2.0751086374055836
Energy: 2.140281375677577
Energy: 2.073817630306859
Energy: 2.29324521890986
Energy: 2.073817630306859
Energy: 2.140983834412769
Energy: 2.0753539103446856
Energy: 2.1975171434675347
Energy: 2.0753539103446856
Energy: 2.4713798132552216
Energy: 1.9120099133562154
Energy: 2.197342880684626
Energy: 1.9120099133562154
Energy: 2.465174823737941
Energy: 1.9117290161779057
Energy: 2.2094404840897193
Energy: 1.9117290161788325
Energy: 2.3701724468704484
Energy: 1.9126618744375927
Energy: 2.199361604808157
Energy: 1.9126618744375927
Energy: 2.464753526935566
Energy: 1.9096627330847498
Energy: 2.1972514403062844
Energy: 1.9096627330847498
Energy: 2.373414630755248
Energy: 1.9094451840291196
Energy: 2.19924410218577
Energy: 1.9094451840291196
Energy: 2.404665702259636
Energy: 1.9108865898235214
Energy: 2.1982956436619494
Energy: 1.9108865898235214
Energy: 2.1392649136968487
Energy: 2.0719879492794826
Energy: 2.1976788256455713
Energy: 2.0719879492794826
Energy: 2.1390524114173197
Energy: 2.076420747893717
Energy: 2.1981483137281663
Energy: 2.076420747893717
Energy: 2.1395538246563848
Energy: 2.0771020600819177
Energy: 2.199723869349774
Energy: 2.0771020600819177
Energy: 2.2007594010204583
Energy: 2.413908505815072
Energy: 2.411760624166119
Energy: 2.4139085058141454
Energy: 2.2003764874785534
Energy: 2.072701268729317
Energy: 2.41374404894727
Energy: 2.072701268729317
Energy: 2.1394613507141695
Energy: 2.07537767002966
Energy: 2.14191557810297
Energy: 2.07537767002966
Energy: 2.139638386047071
Energy: 2.073957317479916
Energy: 2.292530248454428
Energy: 2.073957317479916
Energy: 2.1486311917653445
Energy: 2.074966359614933
Energy: 2.0943602856175128
Energy: 2.074966359614933
Energy: 2.197609681349071
Energy: 2.0739207324410276
Energy: 2.141900612394787
Energy: 2.0739207324410276
Energy: 2.891944722050839
Energy: 2.074454414084535
Energy: 2.1439046657001986
Energy: 2.074454414084535
Energy: 2.1981404497781263
Energy: 2.0737318801373807
Energy: 2.1448965166247174
Energy: 2.0737318801373807
Energy: 2.19722443111366
Energy: 1.9106909420759248
Energy: 2.4653830573963402
Energy: 1.9106909420759248
Energy: 2.199397776605433
Energy: 1.9099962995673732
Energy: 2.2929600955593576
Energy: 1.9099962995673732
Energy: 2.2022635871074496
Energy: 1.910798181472498
Energy: 2.405018654764663
Energy: 1.910798181472498
Energy: 2.1982050175682617
Energy: 1.9096117571430988
Energy: 2.46430894128481
Energy: 1.9096117571430988
Energy: 2.1968385969005424
Energy: 1.9090758346733658
Energy: 2.4658134647198793
Energy: 1.9090758346733658
Energy: 2.1987772690056087
Energy: 1.91015924586914
Energy: 2.46381466397815
Energy: 1.91015924586914
Energy: 2.2023647133533046
Energy: 2.074467140941351
Energy: 2.142038973818726
Energy: 2.074467140941351
Energy: 2.4634545592087678
Energy: 2.073171953572684
Energy: 2.1431743152494214
Energy: 2.073171953572684
Energy: 2.1986304077983223
Energy: 2.0749413015365348
Energy: 2.139480462297537
Energy: 2.0749413015365348
Energy: 2.1493125241044413
Energy: 2.0729756778968635
Energy: 2.2000705933701843
Energy: 2.0729756778968635
Energy: 2.4143292726759102
Energy: 2.4193120067735916
Energy: 2.1975139377730994
Energy: 2.4193120067735916
Energy: 2.1417153745315884
Energy: 2.2574490881620806
Energy: 2.1397134513632836
Energy: 2.2574490881620806
Energy: 2.094557237473841
Energy: 2.0773969478841767
Energy: 2.1391892875819427
Energy: 2.0773969478841767

minimum gb energy = 1.9090758346733658 eV
minimum distance =  2.38234595997326 Angstroms
sigma value = 37


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

Energy: 3.0688484622029617
Energy: 2.1089083426446273
Energy: 2.7984833273036656
Energy: 2.1089083426446273
Energy: 2.012820190519372
Energy: 1.996267159687337
Energy: 2.070577840177206
Energy: 1.996267159687337
Energy: 2.059384891375589
Energy: 1.9973405926891774
Energy: 2.146052326919812
Energy: 1.9973405926891774
Energy: 2.060221495617881
Energy: 1.9969472922367792
Energy: 2.1458747351775735
Energy: 1.9969472922367792
Energy: 2.083712488352123
Energy: 1.8212482089842434
Energy: 2.08352019973139
Energy: 1.8212482089842434
Energy: 2.287902386725074
Energy: 1.8247337918374271
Energy: 2.0832726310051255
Energy: 1.8247337918374271
Energy: 2.3815474122639175
Energy: 1.8247556018004427
Energy: 2.098301136211929
Energy: 1.824755601802037
Energy: 2.2875499519863367
Energy: 1.8245570805890354
Energy: 2.083661585106608
Energy: 1.8245570805890354
Energy: 2.2713179802648193
Energy: 1.7662197004343665
Energy: 2.2714748173615367
Energy: 1.7662197004343665
Energy: 2.271858787723156
Energy: 1.766287601051346
Energy: 2.271943735336866
Energy: 1.766287601051346
Energy: 2.0870326047921712
Energy: 2.0766121345942783
Energy: 2.287822703512947
Energy: 2.0766121345942783
Energy: 2.087735669878131
Energy: 1.8244118234993487
Energy: 2.287529909510338
Energy: 1.8244118234993487
Energy: 2.0830744512780366
Energy: 1.8243791172613422
Energy: 2.287631615478423
Energy: 1.8243791172613422
Energy: 2.0832597665924353
Energy: 1.9049597848821702
Energy: 2.059794633709242
Energy: 1.9049597848821702
Energy: 2.287668053893337
Energy: 2.0039483615991864
Energy: 2.0599504554724692
Energy: 2.0039483615991864
Energy: 2.244230513812309
Energy: 2.0033823709347502
Energy: 2.059181475571579
Energy: 2.0033823709347502
Energy: 2.083341035509916
Energy: 1.8215281602899593
Energy: 2.060084402998123
Energy: 1.8215281602899593
Energy: 2.2965888696476098
Energy: 2.2974789536059217
Energy: 2.082401645165561
Energy: 2.2974789536059217
Energy: 2.05968774649797
Energy: 1.9987353999656263
Energy: 2.0824835424774304
Energy: 1.9987353999656263
Energy: 2.059781086696491
Energy: 1.9963466524230054
Energy: 2.060056323238542
Energy: 1.9963466524230054

minimum gb energy = 1.7662197004343665 eV
minimum distance =  2.3787873903624 Angstroms
sigma value = 25


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

Energy: 3.2818744477236836
Energy: 1.953370787994638
Energy: 2.5385724059622623
Energy: 1.953370787994638
Energy: 1.8731673903238315
Energy: 1.8587172812969956
Energy: 1.9211757101572848
Energy: 1.8587172812969956
Energy: 1.9154049265408357
Energy: 1.8582118013371938
Energy: 1.9436345558516468
Energy: 1.8582118013371938
Energy: 1.9156081565186744
Energy: 1.858183015225754
Energy: 2.1463338132244645
Energy: 1.858183015225754
Energy: 1.9134013753012649
Energy: 1.6982980574391935
Energy: 1.9107502289269716
Energy: 1.6982980574391935
Energy: 2.1456805616867367
Energy: 1.6972762750447326
Energy: 1.9097314824948965
Energy: 1.6972762750447326
Energy: 2.147419932281681
Energy: 1.6995389893412123
Energy: 1.9137061052691924
Energy: 1.6995389893412123
Energy: 2.019262685463372
Energy: 1.698167846492797
Energy: 1.9114432900362297
Energy: 1.698167846492797
Energy: 2.020502544321628
Energy: 1.608208401467607
Energy: 2.1562425931180877
Energy: 1.608208401467607
Energy: 2.0230479257769676
Energy: 1.6069351254404143
Energy: 2.156163098987075
Energy: 1.6069351254404143
Energy: 2.0583460635711095
Energy: 1.8793011007016631
Energy: 2.1562378510452613
Energy: 1.8793011007016631
Energy: 2.142346460765239
Energy: 1.5732889184643117
Energy: 2.142034891692158
Energy: 1.5732889184643117
Energy: 2.1765212225582165
Energy: 1.5733451820494706
Energy: 2.141934224603353
Energy: 1.5733451820494706
Energy: 2.1539794154998355
Energy: 1.6077684885985088
Energy: 2.0588794047161385
Energy: 1.6077684885985088
Energy: 2.1559883794440338
Energy: 1.607343652154556
Energy: 2.019598823808484
Energy: 1.607343652154556
Energy: 2.1561606803465176
Energy: 1.606921619096817
Energy: 2.017087561165694
Energy: 1.606921619096817
Energy: 1.9103431741168313
Energy: 1.6998309707962975
Energy: 2.019643659164154
Energy: 1.6998309707962975
Energy: 1.9109894435187598
Energy: 1.6969248164260182
Energy: 2.1544466250076293
Energy: 1.6969248164260182
Energy: 1.9094779065069516
Energy: 1.696943708577846
Energy: 2.0179271133468286
Energy: 1.696943708577846
Energy: 1.9107303242853304
Energy: 1.858938317215344
Energy: 1.9151573081732347
Energy: 1.8589383172140987
Energy: 2.017528785083527
Energy: 1.8578313857981197
Energy: 1.9180985048362431
Energy: 1.8578313857981197
Energy: 1.9108887270935238
Energy: 1.8587381728237908
Energy: 1.9152866992938578
Energy: 1.8587381728237908
Energy: 1.9215415626051588
Energy: 1.858760731523255
Energy: 1.9103591110544467
Energy: 1.858760731523255
Energy: 2.1003783294643528
Energy: 2.0983240168355333
Energy: 2.0191938194429477
Energy: 2.0983240168355333
Energy: 1.9158706008063588
Energy: 1.8606431696023586
Energy: 1.9160433336106382
Energy: 1.8606431696023586
Energy: 1.9451459490982679
Energy: 1.8591592349527908
Energy: 1.9148862411951626
Energy: 1.8591592349527908

minimum gb energy = 1.5732889184643117 eV
minimum distance =  2.38492170055272 Angstroms
sigma value = 41


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

Energy: 3.395112733644216
Energy: 1.8139992219398933
Energy: 2.2896760523731836
Energy: 1.8139992219398933
Energy: 1.747720501529421
Energy: 1.7369678413938874
Energy: 1.7879348695343824
Energy: 1.7369678413938874
Energy: 1.785478786650328
Energy: 1.7342036846663242
Energy: 1.7951163016598204
Energy: 1.7342036846663242
Energy: 1.7860379065547
Energy: 1.7355670720180463
Energy: 1.8899479688876455
Energy: 1.7355670720180463
Energy: 1.7725923280337323
Energy: 1.5943217010596302
Energy: 1.771798885775641
Energy: 1.5943217010596302
Energy: 1.889829504072887
Energy: 1.5924382224830649
Energy: 1.7716642318972804
Energy: 1.5924382224830649
Energy: 1.8900759288330258
Energy: 1.5949342238048303
Energy: 1.7717921464236164
Energy: 1.5949342238048303
Energy: 1.845087196135869
Energy: 1.592602042530097
Energy: 1.771208020786431
Energy: 1.592602042530097
Energy: 1.8446641835362474
Energy: 1.4974346000488046
Energy: 1.9800525589061984
Energy: 1.4974346000488046
Energy: 1.8438625719797668
Energy: 1.496998616403744
Energy: 1.9796515835258508
Energy: 1.496998616403744
Energy: 1.8790020598453534
Energy: 1.4454066625707331
Energy: 1.9475960442311875
Energy: 1.4454066625707331
Energy: 1.9855215730388416
Energy: 1.4453282243037273
Energy: 1.9546604527672922
Energy: 1.4453282243037273
Energy: 1.9841490041608734
Energy: 1.4441348593960017
Energy: 1.9548030590421306
Energy: 1.4441348593960017
Energy: 1.9836580463731015
Energy: 1.4258373649064744
Energy: 1.9694703050690983
Energy: 1.4258373649064744
Energy: 2.0114278028249224
Energy: 1.4244670950291527
Energy: 2.0138160124861084
Energy: 1.4244670950291527
Energy: 2.014344054792348
Energy: 1.4245732379029572
Energy: 2.014043476337035
Energy: 1.4245732379029572
Energy: 1.986021785441472
Energy: 1.4446378989995443
Energy: 1.985379752847537
Energy: 1.4446378989995443
Energy: 1.954633619276664
Energy: 1.44469004472114
Energy: 1.9843561055068535
Energy: 1.44469004472114
Energy: 1.9496727653161225
Energy: 1.4443484012130512
Energy: 1.9836199142241613
Energy: 1.4443484012130512
Energy: 1.9765877923537316
Energy: 1.5034808276641596
Energy: 1.844713126504258
Energy: 1.5034808276641596
Energy: 1.976418016854903
Energy: 1.4980062368714513
Energy: 1.8430605999080862
Energy: 1.4980062368714513
Energy: 1.9764279591849279
Energy: 1.498307659795067
Energy: 1.8421939099479887
Energy: 1.498307659795067
Energy: 1.7733358420672467
Energy: 1.5929494620965345
Energy: 1.8458642513690149
Energy: 1.5929494620965345
Energy: 1.7731589997511366
Energy: 1.5948355053771939
Energy: 1.9781180035456225
Energy: 1.5948355053771939
Energy: 1.7728580285336022
Energy: 1.5930182650529698
Energy: 1.8456008713235608
Energy: 1.5930182650529698
Energy: 1.8463560263154601
Energy: 1.7337060704309541
Energy: 1.7870490935468153
Energy: 1.7337060704299334
Energy: 1.845220096319728
Energy: 1.7367532433568544
Energy: 1.785772190213393
Energy: 1.7367532433568544
Energy: 1.7713258707783341
Energy: 1.733683789039574
Energy: 1.785935287464999
Energy: 1.733683789039574
Energy: 1.7905438800162494
Energy: 1.7361472548630101
Energy: 1.8462542191637958
Energy: 1.7361472548630101
Energy: 1.785189860793025
Energy: 1.734067889201736
Energy: 1.844787725554475
Energy: 1.7340678892027566
Energy: 1.7847452793490428
Energy: 1.7345961769666292
Energy: 1.7848086588166274
Energy: 1.7345961769666292
Energy: 1.7931061995478301
Energy: 1.734702166224611
Energy: 1.786269144938359
Energy: 1.734702166224611

minimum gb energy = 1.4244670950291527 eV
minimum distance =  2.38829748936908 Angstroms
sigma value = 15


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

Energy: 2.234542285802199
Energy: 1.6932395711868173
Energy: 2.096826667648812
Energy: 1.6932395711868173
Energy: 1.6378426326083932
Energy: 1.6261753980076414
Energy: 1.6732649984270478
Energy: 1.6261753979981302
Energy: 1.6696914555189184
Energy: 1.6281063181306246
Energy: 1.6722120824739322
Energy: 1.6281063181306246
Energy: 1.6697891086453738
Energy: 1.6261075576027453
Energy: 1.7417430153487146
Energy: 1.6261075576027453
Energy: 1.656438111181605
Energy: 1.500518314905997
Energy: 1.6559718294870125
Energy: 1.500518314905997
Energy: 1.7485341467430586
Energy: 1.5016664619383606
Energy: 1.654838117126374
Energy: 1.5016664619383606
Energy: 1.8333698504277973
Energy: 1.5030562736324184
Energy: 1.6553835263745207
Energy: 1.5030562736324184
Energy: 1.7081977564155857
Energy: 1.4135769891829602
Energy: 1.6544334919500348
Energy: 1.4135769892866823
Energy: 1.7078027807576612
Energy: 1.4127696062954886
Energy: 1.8324617476493104
Energy: 1.4127696062954886
Energy: 1.7075671652114672
Energy: 1.4123567733093596
Energy: 1.8319232301499755
Energy: 1.4123567733093596
Energy: 1.7381640483243161
Energy: 1.3567177599451765
Energy: 1.7984002613432122
Energy: 1.3567177599451765
Energy: 1.837036249507668
Energy: 1.3571474870717417
Energy: 1.7910873136307395
Energy: 1.3571474870717417
Energy: 1.8366478392486418
Energy: 1.3551659027363547
Energy: 1.7922191838941395
Energy: 1.3551659027363547
Energy: 1.8418543244852765
Energy: 1.3194166516184183
Energy: 1.8178246085849792
Energy: 1.3194166516184183
Energy: 1.849007006157752
Energy: 1.3206324895414188
Energy: 1.839766227776013
Energy: 1.3206324895414188
Energy: 1.8888629129302115
Energy: 1.3186379225876275
Energy: 1.8396823356004222
Energy: 1.3186379225876275
Energy: 1.8388975049137284
Energy: 1.307477025816273
Energy: 1.844478371462285
Energy: 1.307477025816273
Energy: 1.8403393559867187
Energy: 1.308248370172092
Energy: 1.8400526338710927
Energy: 1.308248370172092
Energy: 1.8403284494827694
Energy: 1.3068192585560816
Energy: 1.8394623792805915
Energy: 1.3068192585560816
Energy: 1.8403928507612675
Energy: 1.318374940908929
Energy: 1.8498938633882684
Energy: 1.318374940908064
Energy: 1.841365660954387
Energy: 1.319811290195498
Energy: 1.8470622460804977
Energy: 1.319811290195498
Energy: 1.8179453178286287
Energy: 1.3193099922393035
Energy: 1.8391497059971795
Energy: 1.3193099922384386
Energy: 1.7923015476231512
Energy: 1.3556569854469038
Energy: 1.8367494122505494
Energy: 1.3556569854469038
Energy: 1.7921287232606935
Energy: 1.3569421081592508
Energy: 1.8368603285988927
Energy: 1.3569421081592508
Energy: 1.798151661334216
Energy: 1.356229001819906
Energy: 1.7417939485298073
Energy: 1.356229001819906
Energy: 1.7968296164815343
Energy: 1.4118708630182595
Energy: 1.7100801523577895
Energy: 1.4118708630182595
Energy: 1.8363859417730029
Energy: 1.4134119483542753
Energy: 1.7089942088227215
Energy: 1.4134119483542753
Energy: 1.6596423738765205
Energy: 1.411942568099635
Energy: 1.7069061733988615
Energy: 1.411942568099635
Energy: 1.6566915219789085
Energy: 1.503473000554754
Energy: 1.7976265111207517
Energy: 1.503473000555619
Energy: 1.655795246592081
Energy: 1.5009947203883964
Energy: 1.797398588144812
Energy: 1.5009947203883964
Energy: 1.6541648875027175
Energy: 1.5003892544911916
Energy: 1.6699791892642581
Energy: 1.5003892544903268
Energy: 1.7990445955517589
Energy: 1.6270772374714038
Energy: 1.6707376075576807
Energy: 1.6270772374714038
Energy: 1.708184001477969
Energy: 1.624833473464549
Energy: 1.6707770800334394
Energy: 1.624833473464549
Energy: 1.6555024360960748
Energy: 1.5012138945538502
Energy: 1.6744197493541766
Energy: 1.5012138945521207
Energy: 1.800038832654582
Energy: 1.7945286274093835
Energy: 1.708526083073062
Energy: 1.7945286274093835
Energy: 1.669616380723463
Energy: 1.6262546060737018
Energy: 1.654585108176986
Energy: 1.626254606072837
Energy: 1.6694695409947862
Energy: 1.6286680729127625
Energy: 1.6708089765659542
Energy: 1.6286680729127625

minimum gb energy = 1.3068192585560816 eV
minimum distance =  2.40478621187011 Angstroms
sigma value = 85


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

Energy: 3.184572850697116
Energy: 1.5778472350363972
Energy: 1.5584696334988188
Energy: 1.5778472350363972
Energy: 1.5320095946924892
Energy: 1.5181954340552277
Energy: 1.5605331183643358
Energy: 1.5181954340552277
Energy: 1.5569681251185208
Energy: 1.5174191498708667
Energy: 1.6156128045638039
Energy: 1.5174191498708667
Energy: 1.5573252489147407
Energy: 1.517823210112409
Energy: 1.706282941177097
Energy: 1.517823210112409
Energy: 1.5446680735317373
Energy: 1.4097201707347975
Energy: 1.5431539977143574
Energy: 1.4097201707340472
Energy: 1.7052089379015654
Energy: 1.4081321610500717
Energy: 1.5426010777377175
Energy: 1.4081321610500717
Energy: 1.7056932755852285
Energy: 1.409668830120853
Energy: 1.542935112394255
Energy: 1.409668830120853
Energy: 1.585418609289972
Energy: 1.3258453760783313
Energy: 1.5437585860857477
Energy: 1.32584537609558
Energy: 1.584760392920273
Energy: 1.325886333796852
Energy: 1.704609866258488
Energy: 1.325886333796852
Energy: 1.585500995285691
Energy: 1.3253965136377341
Energy: 1.7045403946135942
Energy: 1.325396513638484
Energy: 1.6136092341893582
Energy: 1.26692105963414
Energy: 1.6659827506639098
Energy: 1.26692105963414
Energy: 1.7113135185527628
Energy: 1.2676402369957576
Energy: 1.65356008434152
Energy: 1.2676402369965072
Energy: 1.7089551007805492
Energy: 1.2669398721690666
Energy: 1.6541872103337045
Energy: 1.2669398721690666
Energy: 1.7076235361600496
Energy: 1.2288583428657696
Energy: 1.685781055013658
Energy: 1.2288583428657696
Energy: 1.7333996035564965
Energy: 1.2283881541509631
Energy: 1.714688433745874
Energy: 1.2283881541509631
Energy: 1.7339614862025647
Energy: 1.2297029282693288
Energy: 1.7132572184593629
Energy: 1.2297029282693288
Energy: 1.7129248979342935
Energy: 1.207420077575718
Energy: 1.7146287537783247
Energy: 1.207420077575718
Energy: 1.715652195745945
Energy: 1.2077784113017385
Energy: 1.7134235687023005
Energy: 1.2077784113017385
Energy: 1.7158833465191825
Energy: 1.2069432381815857
Energy: 1.7107536572099857
Energy: 1.2069432381815857
Energy: 1.715606788907309
Energy: 1.1995540263272724
Energy: 1.715701209603324
Energy: 1.1995540263272724
Energy: 1.7158510904122481
Energy: 1.199566469601469
Energy: 1.7157419341815139
Energy: 1.199566469601469
Energy: 1.7108612035799402
Energy: 1.1998933270305965
Energy: 1.7168813549261481
Energy: 1.1998933270305965
Energy: 1.7139740284965927
Energy: 1.2072543896393941
Energy: 1.7159339353440195
Energy: 1.2072543896393941
Energy: 1.7132070998348872
Energy: 1.2073301966411862
Energy: 1.7159769961732656
Energy: 1.2073301966411862
Energy: 1.7131932911892425
Energy: 1.2075248900244409
Energy: 1.7051892237215163
Energy: 1.2075248900244409
Energy: 1.7137047775320038
Energy: 1.2290430388367375
Energy: 1.7338590624899006
Energy: 1.2290430388367375
Energy: 1.7132189974131153
Energy: 1.2294479131482021
Energy: 1.7335110465396877
Energy: 1.2294479131482021
Energy: 1.6859457746467648
Energy: 1.2670119642421374
Energy: 1.7080971549645532
Energy: 1.2670119642421374
Energy: 1.654673896782316
Energy: 1.267630443442752
Energy: 1.7083154941254306
Energy: 1.267630443442752
Energy: 1.6537949396569547
Energy: 1.2669698343978137
Energy: 1.7087325182756086
Energy: 1.2669698343978137
Energy: 1.666245889716559
Energy: 1.325283635814304
Energy: 1.6134866794160858
Energy: 1.325283635814304
Energy: 1.7099191790989643
Energy: 1.3258616304846786
Energy: 1.5952793686681914
Energy: 1.3258616304846786
Energy: 1.6662586516863827
Energy: 1.325247864235527
Energy: 1.5849307965328707
Energy: 1.3252478642362766
Energy: 1.5428202159614608
Energy: 1.409329036210329
Energy: 1.585381498020434
Energy: 1.4093290362095792
Energy: 1.5434807243615711
Energy: 1.4084548055308306
Energy: 1.7101558852566632
Energy: 1.4084548055308306
Energy: 1.5430579964258457
Energy: 1.4090414494784578
Energy: 1.58612062810888
Energy: 1.4090414494784578
Energy: 1.586232809262631
Energy: 1.517838498716221
Energy: 1.557353628925094
Energy: 1.517838498716221
Energy: 1.6685688698642482
Energy: 1.517234657319956
Energy: 1.5584552142257557
Energy: 1.517234657319956
Energy: 1.5425415931343687
Energy: 1.5194472051224812
Energy: 1.558075694563375
Energy: 1.5194472051224812
Energy: 1.5425165724151133
Energy: 1.5171310687016948
Energy: 1.5883881234501798
Energy: 1.5171310687016948
Energy: 1.5569969253726288
Energy: 1.5192053844806968
Energy: 1.6696071881095385
Energy: 1.5192053844806968
Energy: 1.5571662468816336
Energy: 1.518308050982751
Energy: 1.5575625996708773
Energy: 1.5183080509850009
Energy: 1.6165248670519907
Energy: 1.5180241428612629
Energy: 1.5572358356768714
Energy: 1.5180241428612629

minimum gb energy = 1.1995540263272724 eV
minimum distance =  2.39344847750732 Angstroms
sigma value = 113


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

Energy: 0.008870215731211698
Energy: 0.010345548110169567
Energy: 1.4497378089042476
Energy: 0.010345548110169567
Energy: 0.00994896151089265
Energy: 0.10405765689750171
Energy: 0.27359174711173073
Energy: 0.10405765689750171
Energy: 0.2735192999905965
Energy: 0.10419424817216544
Energy: 0.009235025197192754
Energy: 0.10419424817216544
Energy: 0.27469446586502433
Energy: 0.10466937817553475
Energy: 0.009183565054282106
Energy: 0.10466937817553475
Energy: 0.27545443948934023
Energy: 0.10401067718640992
Energy: 0.274145877605809
Energy: 0.10401067718640992
Energy: 0.009849734460143875
Energy: 0.10463355185943878
Energy: 0.2733353085859159
Energy: 0.10463355185943878

minimum gb energy = 0.008870215731211698 eV
minimum distance =  2.71474420369299 Angstroms
sigma value = 1