Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_006
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.12275935062985
mass=55.845
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-18, -1.078354596573504e-17, -2.2378402135395e-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: 0.0 eV

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

Energy: 0.012744128960427568
Energy: 0.012845170311006925
Energy: 1.6368685742484612
Energy: 0.9274371772630543
Energy: 0.012845170309024127
Energy: 0.21459184600218736
Energy: 0.9270638535194041
Energy: 0.21459184600511969
Energy: 1.6368685742464784
Energy: 0.9270638535194041
Energy: 1.2546068411894242
Energy: 0.9270638535194041
Energy: 0.9274371772630543
Energy: 0.2145918460031648
Energy: 0.9270638535194041
Energy: 0.21459184600218736

minimum gb energy = 0.012744128960427568 eV
minimum distance =  2.43124160024749 Angstroms
sigma value = 1


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

Energy: 1.981055040634715
Energy: 1.0057279505651076
Energy: 0.891529565886072
Energy: 0.8904092044197599
Energy: 1.741439147588341
Energy: 0.9911273007244854
Energy: 0.9902787270771729
Energy: 0.9911273007208277
Energy: 1.7441835538467318
Energy: 0.8926380391105553
Energy: 0.8926639518923
Energy: 0.8926380391093359
Energy: 1.7453334735578716
Energy: 0.9188569057628346
Energy: 0.8909819939516098
Energy: 0.9188569057616155
Energy: 1.8321082347222293
Energy: 0.8903728120949084
Energy: 1.2821262535704094
Energy: 0.8903728120985662
Energy: 1.7553166043150306
Energy: 0.9190453779225775
Energy: 1.2013008653019663
Energy: 0.9190453779250161
Energy: 1.65731451355092
Energy: 0.8922381144882118
Energy: 1.2155560504912377
Energy: 0.892238114484554
Energy: 1.5017673246803163
Energy: 0.8904401157811537
Energy: 1.1798900215335122
Energy: 0.8904401157835923
Energy: 1.4385914502898496
Energy: 0.890313656104405
Energy: 1.1796232620035685
Energy: 0.8903136561092823
Energy: 1.5123487765074695
Energy: 0.9555866827602408
Energy: 1.50922179454112
Energy: 0.9555866827565829
Energy: 1.498756331682352
Energy: 0.8904763327587314
Energy: 1.4214782066656042
Energy: 0.8904763327551289
Energy: 1.1824094407232515
Energy: 0.8906258804378748
Energy: 1.5097600527276336
Energy: 0.8906258804378748
Energy: 1.2468635684632192
Energy: 0.8919528759557566
Energy: 1.4984995835771608
Energy: 0.8919528759557566
Energy: 1.2004246240401668
Energy: 0.9187494075358646
Energy: 1.7545895773525566
Energy: 0.9187494075346454
Energy: 1.2087393897028915
Energy: 0.8907085592054093
Energy: 1.5700548252955528
Energy: 0.8907085592029709
Energy: 0.8905553926489386
Energy: 0.9187988317468878
Energy: 1.7589481578020563
Energy: 0.9187988317444492
Energy: 0.8926136316071581
Energy: 0.8921312137569195
Energy: 1.7627565024476437
Energy: 0.8921312137617965
Energy: 0.9597904247965503
Energy: 0.9239414252332754
Energy: 1.7325417825084346
Energy: 0.9239414252369333
Energy: 0.8910944984948366
Energy: 0.8905251159489668
Energy: 1.6548553361251563
Energy: 0.890525115953844
Energy: 1.035815928809449
Energy: 0.9575890454230378
Energy: 1.74418172201237
Energy: 0.9575890454242572
Energy: 0.9982902756224605
Energy: 0.8919327473995303
Energy: 1.7437642957691155
Energy: 0.8919327473970917
Energy: 0.9960747335115413
Energy: 0.8901648088357108
Energy: 1.6784787048616259
Energy: 0.8901648088369299
Energy: 0.9917326913766529
Energy: 0.890106649018705
Energy: 1.4962272439405604
Energy: 0.8901066490040735
Energy: 1.3441129297657732
Energy: 0.8903102747938155
Energy: 1.6816830419357391
Energy: 0.8903102747913769
Energy: 1.370025345380398
Energy: 0.8916448779086065
Energy: 1.6664531154853577
Energy: 0.8916448779049485
Energy: 1.3456214105799769
Energy: 1.140246536114922
Energy: 1.3416188752432878
Energy: 1.1402465361161416
Energy: 1.3452099519166933
Energy: 0.957178914488571
Energy: 1.4277128415974791
Energy: 0.9571789144934482
Energy: 1.6790715332328423
Energy: 0.8904411644400356
Energy: 1.3408379029392672
Energy: 0.8904411644400356
Energy: 1.5728347844775412
Energy: 0.8903438389998523
Energy: 1.3499531431833702
Energy: 0.8903438390022909
Energy: 1.5706313568176815
Energy: 0.8903232523348552
Energy: 0.9964460313446021
Energy: 0.8903232523385131
Energy: 1.6674459420680816
Energy: 0.891052475818628
Energy: 1.0099555770002595
Energy: 0.8910524758198473
Energy: 1.7508598722756543
Energy: 0.8919187586578159
Energy: 1.0369714940953179
Energy: 0.8919187586590352
Energy: 1.7470623488867187
Energy: 0.8906237587939184
Energy: 0.9826143170593744
Energy: 0.8906237587914797

minimum gb energy = 0.8901066490040735 eV
minimum distance =  2.3138212021484 Angstroms
sigma value = 1


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

Energy: 2.1986347227579874
Energy: 1.0848046457938931
Energy: 0.9228700161494793
Energy: 0.9237684411681214
Energy: 1.7012626082195845
Energy: 1.0023760064156753
Energy: 1.0018179214174108
Energy: 1.0023760064156753
Energy: 1.7080415594062706
Energy: 0.9233787066837027
Energy: 0.9230762295078312
Energy: 0.9233787066837027
Energy: 1.6966045694968055
Energy: 1.0019482626424974
Energy: 1.006016934092868
Energy: 1.0019482626411071
Energy: 1.8522436778812161
Energy: 0.9242316256379943
Energy: 1.081283590584309
Energy: 0.9242316256366041
Energy: 1.6930126606383937
Energy: 1.0020565598825928
Energy: 1.2292078654359713
Energy: 1.0020565598825928
Energy: 1.7079296175567853
Energy: 0.926253498585741
Energy: 1.147370684481479
Energy: 0.926253498585741
Energy: 1.5350139631446476
Energy: 0.924705095622012
Energy: 1.153070460924189
Energy: 0.9247050956234022
Energy: 1.5203887531691351
Energy: 0.9239900924241187
Energy: 1.1645284454702767
Energy: 0.9239900924241187
Energy: 1.5263949665634553
Energy: 1.002660764432028
Energy: 1.5177352904254464
Energy: 1.002660764432028
Energy: 1.5280939358127508
Energy: 0.9230829091515053
Energy: 1.3327619833174413
Energy: 0.9230829091515053
Energy: 1.1408169594056776
Energy: 0.9245835201893979
Energy: 1.3330463989940662
Energy: 0.9245835201880076
Energy: 1.1983811655323149
Energy: 0.9236557641097303
Energy: 1.518925935497802
Energy: 0.92365576410834
Energy: 1.216195846024502
Energy: 0.9236074624922416
Energy: 1.7091934040084555
Energy: 0.9236074624908512
Energy: 1.0330271544557736
Energy: 0.9242748158564581
Energy: 1.6812923659718726
Energy: 0.9242748158564581
Energy: 1.0018497765037244
Energy: 1.0025738406726714
Energy: 1.7114547275341954
Energy: 1.0025738406726714
Energy: 0.9229094334622929
Energy: 0.9233722439348966
Energy: 1.7080590353925171
Energy: 0.9233722439362868
Energy: 1.0052293568125796
Energy: 0.9258131400457312
Energy: 1.6952626396911477
Energy: 0.9258131400485117
Energy: 1.0031291378564249
Energy: 0.9244273755248301
Energy: 1.50347606862366
Energy: 0.9244273755220497
Energy: 1.2222505189140977
Energy: 1.002146473844056
Energy: 1.693761195894036
Energy: 1.0021464738454462
Energy: 1.1442060523995867
Energy: 0.9263009733650109
Energy: 1.7079086053238601
Energy: 0.9263009733650109
Energy: 1.1497498369723975
Energy: 0.9245174343491904
Energy: 1.5266619313053205
Energy: 0.9245174343478003
Energy: 1.1526307547918453
Energy: 0.9244180125301528
Energy: 1.5241247752288711
Energy: 0.924418012531543
Energy: 1.518128906224071
Energy: 1.0026294325316545
Energy: 1.531276848632987
Energy: 1.002629432533045
Energy: 1.3300952539426032
Energy: 0.9247281852868795
Energy: 1.5271301654904756
Energy: 0.9247281852827088
Energy: 1.3297962922238435
Energy: 0.9245499830277403
Energy: 1.2164926112933359
Energy: 0.9245499830277403
Energy: 1.5185063452767829
Energy: 0.923325246257322
Energy: 1.2215894055620287
Energy: 0.9233252462587123
Energy: 1.7095742499860898
Energy: 0.9235470460683428
Energy: 1.2161456186233588
Energy: 0.9235470460697329
Energy: 1.7030135039121927
Energy: 0.924459386097466
Energy: 1.141751681425373
Energy: 0.924459386097466

minimum gb energy = 0.9228700161494793 eV
minimum distance =  2.320357055052 Angstroms
sigma value = 25


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

Energy: 2.081877675673445
Energy: 1.0907317046799059
Energy: 0.9871517570853809
Energy: 0.9874635789996293
Energy: 1.5956446292437498
Energy: 1.0265558169952969
Energy: 1.1085091152823463
Energy: 1.0265558169952969
Energy: 1.61737090672702
Energy: 0.9902481347415619
Energy: 0.990159815484829
Energy: 0.9902481347383297
Energy: 1.6178186037991675
Energy: 1.0173548120474318
Energy: 1.0188081900422628
Energy: 1.0173548120490479
Energy: 1.5334519120443169
Energy: 0.9865929397492684
Energy: 1.3975952907783094
Energy: 0.9865929397492684
Energy: 1.6396150238341416
Energy: 1.0174876714662469
Energy: 1.3591233929776045
Energy: 1.0174876714678631
Energy: 1.6179494808879782
Energy: 1.1383547478454852
Energy: 1.341505889719563
Energy: 1.1383547478487175
Energy: 1.3306787407962037
Energy: 1.2280945168371413
Energy: 1.3405660754457627
Energy: 1.2280945168371413
Energy: 1.3409292496297296
Energy: 1.1383832536242642
Energy: 1.3407594434886365
Energy: 1.1383832536242642
Energy: 1.3632824856111918
Energy: 0.9872241250336301
Energy: 1.619348535897279
Energy: 0.9872241250352459
Energy: 1.2958751522548326
Energy: 0.986952698881848
Energy: 1.6308348071799834
Energy: 0.9869526988786158
Energy: 1.018361253562604
Energy: 1.0178810087727286
Energy: 1.630202725871316
Energy: 1.0178810087727286
Energy: 0.982047547770089
Energy: 0.9865009080872051
Energy: 1.6169597422697997
Energy: 0.9865009080872051
Energy: 1.0673063389800677
Energy: 0.9871024767852528
Energy: 1.6142637185808617
Energy: 0.9871024767868689
Energy: 1.018594891772056
Energy: 0.9876031098249682
Energy: 1.5314760383203023
Energy: 0.9876031098249682
Energy: 1.2361733592718493
Energy: 1.1082931035748422
Energy: 1.6153988626689353
Energy: 1.1082931035764583
Energy: 1.124540261165272
Energy: 0.9870011167313235
Energy: 1.618138272574194
Energy: 0.9870011167313235
Energy: 1.123893588726848
Energy: 0.9874148394834193
Energy: 1.5281498555983988
Energy: 0.9874148394834193
Energy: 1.1980134545942382
Energy: 0.9876308568899491
Energy: 1.5005732117976165
Energy: 0.9876308568851009
Energy: 1.5469900288184615
Energy: 1.0744780377908176
Energy: 1.5285003676531417
Energy: 1.0744780377908176
Energy: 1.4342132421971816
Energy: 0.9866806492817386
Energy: 1.5280441500389697
Energy: 0.986680649284934
Energy: 1.435022982226065
Energy: 0.9870218864308101
Energy: 1.1667092785867499
Energy: 0.9870218864194975
Energy: 1.5282229747264007
Energy: 0.9888387048969494
Energy: 1.156701061450475
Energy: 0.9888387048969494
Energy: 1.6174884451606588
Energy: 0.9828033078998942
Energy: 1.2325227918592752
Energy: 0.9828033078982782
Energy: 1.6293772444613788
Energy: 0.9872597611655056
Energy: 1.1478253738362607
Energy: 0.9872597611655056

minimum gb energy = 0.982047547770089 eV
minimum distance =  2.30977869635524 Angstroms
sigma value = 9


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

Energy: 2.1753297338554245
Energy: 1.1786864716409684
Energy: 1.1860542258576985
Energy: 1.1658198522714849
Energy: 1.5241361680868732
Energy: 1.0895923096441544
Energy: 1.134448729565089
Energy: 1.0895923096462576
Energy: 1.620266613175999
Energy: 1.0829749238754218
Energy: 1.08221103179805
Energy: 1.0829749238750492
Energy: 1.62138835995372
Energy: 1.182006027775179
Energy: 1.1864545589803002
Energy: 1.1820060277757487
Energy: 1.6458158946222385
Energy: 1.0888698298886912
Energy: 1.1946532739025157
Energy: 1.0888698298911885
Energy: 1.622930188326337
Energy: 1.0829418106519788
Energy: 1.3078903988462414
Energy: 1.0829418106471589
Energy: 1.5281469414386286
Energy: 1.0982516085462737
Energy: 1.2166697797223367
Energy: 1.0982516085470404
Energy: 1.4925677285257781
Energy: 1.1808180927772112
Energy: 1.314729828954953
Energy: 1.1808180927772112
Energy: 1.3813392685588104
Energy: 1.0973438674635951
Energy: 1.2302781659572448
Energy: 1.0973438674639677
Energy: 1.3731954307528487
Energy: 1.1497280595442698
Energy: 1.4848059545495877
Energy: 1.1497280595437003
Energy: 1.2237899976397595
Energy: 1.0038624284190767
Energy: 1.485218811444812
Energy: 1.003862428418704
Energy: 1.1322215289649893
Energy: 1.0032075695318838
Energy: 1.4850314746836892
Energy: 1.0032075695320812
Energy: 1.1400858641750082
Energy: 1.0047592754295749
Energy: 1.503360940996196
Energy: 1.004759275429772
Energy: 1.3562504683687564
Energy: 1.2412087404141265
Energy: 1.4477693256836355
Energy: 1.2412087404141265
Energy: 1.1317731986211519
Energy: 1.0037980824604629
Energy: 1.6456000866521674
Energy: 1.003798082459499
Energy: 1.4786625562494293
Energy: 1.3321391868492047
Energy: 1.4475764402549276
Energy: 1.3321391868511328
Energy: 1.2166452600594906
Energy: 1.2511844875299696
Energy: 1.4472664723757562
Energy: 1.251184487529378
Energy: 1.2165598005827036
Energy: 1.2515742088796038
Energy: 1.3934702028899013
Energy: 1.2515742088794286
Energy: 1.3735683437303787
Energy: 1.2430845961847279
Energy: 1.502891589131923
Energy: 1.243084596184925
Energy: 1.6208478717222239
Energy: 1.2431650811993205
Energy: 1.3937671182058284
Energy: 1.2431650811964288
Energy: 1.5231891738238732
Energy: 1.1345725764444128
Energy: 1.39438842676817
Energy: 1.1345725764503936

minimum gb energy = 1.0032075695318838 eV
minimum distance =  2.27094524620001 Angstroms
sigma value = 25


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

Energy: 1.6245758756045938
Energy: 1.1870311278392098
Energy: 1.2489241180648523
Energy: 1.2030933554161969
Energy: 1.3540073179483316
Energy: 1.131905797890717
Energy: 1.2128045254542834
Energy: 1.131905797890717
Energy: 1.4496409877287675
Energy: 1.1174753412895027
Energy: 1.1156573212062022
Energy: 1.1174753412904508
Energy: 1.4351497479589461
Energy: 1.119559607129992
Energy: 1.1189654856983613
Energy: 1.1195596071309404
Energy: 1.358610223430053
Energy: 1.1165412515581528
Energy: 1.4957675395226402
Energy: 1.116541251554089
Energy: 1.4568650649364465
Energy: 1.239108991399261
Energy: 1.425941395598117
Energy: 1.2391089913997215
Energy: 1.4491666277735846
Energy: 1.1185461427467807
Energy: 1.5010423724786681
Energy: 1.1185461427455887
Energy: 1.1186527816679626
Energy: 1.1193983559618894
Energy: 1.4967954546846134
Energy: 1.1193983559597491
Energy: 1.1192417395867598
Energy: 1.1173888818269537
Energy: 1.4418367931723794
Energy: 1.1173888818274413
Energy: 1.1861540140727753
Energy: 1.1173886152149772
Energy: 1.4401528816301792
Energy: 1.1173886152187702
Energy: 1.1172470187449266
Energy: 1.133324529219082
Energy: 1.4348690284600807
Energy: 1.1333245292183778
Energy: 1.4478294902958369
Energy: 1.1319714111782657
Energy: 1.433423565255408
Energy: 1.1319714111782657
Energy: 1.3040528597160879
Energy: 1.117060388545366
Energy: 1.4422226023521418
Energy: 1.1170603885463144
Energy: 1.3025974918526197
Energy: 1.2417783002585994
Energy: 1.3667407570499963
Energy: 1.2417783002578948
Energy: 1.3909450861829857
Energy: 1.2414807220129553
Energy: 1.362690518236517
Energy: 1.2414807220115192
Energy: 1.4411100493064601
Energy: 1.2413384183025784
Energy: 1.3692776735971752
Energy: 1.2413384183020908
Energy: 1.3541720174628042
Energy: 1.2495846451420134
Energy: 1.3812949831141887
Energy: 1.2495846451422572

minimum gb energy = 1.1156573212062022 eV
minimum distance =  2.30397841744912 Angstroms
sigma value = 17


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

Energy: 1.6150665450683375
Energy: 1.230529073543892
Energy: 1.2923328675122117
Energy: 1.1971426387603368
Energy: 1.337477656453329
Energy: 1.1321866183240772
Energy: 1.296326260901831
Energy: 1.1321866183254274
Energy: 1.3937981966254698
Energy: 1.1328814188869771
Energy: 1.1336715329412996
Energy: 1.1328814188869771
Energy: 1.411304806416142
Energy: 1.1233144680024505
Energy: 1.1222324149693104
Energy: 1.1233144680011002
Energy: 1.4077449513095623
Energy: 1.2717460971585313
Energy: 1.4349604340674365
Energy: 1.2717460971558308
Energy: 1.3600425124701485
Energy: 1.138402219932753
Energy: 1.3505369446509723
Energy: 1.138402219932753
Energy: 1.3863663898586727
Energy: 1.1569888832847963
Energy: 1.4420928933056008
Energy: 1.1569888832658923
Energy: 1.226764175675221
Energy: 1.2272183442386104
Energy: 1.386073638021364
Energy: 1.227218344239961
Energy: 1.1550879013063209
Energy: 1.1384133645184042
Energy: 1.366143306659371
Energy: 1.1384133645211045
Energy: 1.1472993083739262
Energy: 1.1388938667687636
Energy: 1.3667241764811489
Energy: 1.1388938667660629
Energy: 1.1408607050812631
Energy: 1.2378291837105952
Energy: 1.4124999762278718
Energy: 1.2378291837105952
Energy: 1.361676650860043
Energy: 1.1317714597367101
Energy: 1.3672003805128419
Energy: 1.1317714597313089
Energy: 1.4428762262123487
Energy: 1.2579492146127922
Energy: 1.370166235616328
Energy: 1.2579492146127922
Energy: 1.4433452434784362
Energy: 1.1486681884219894
Energy: 1.1488168505259828
Energy: 1.1486681884192889
Energy: 1.3450876208314966
Energy: 1.1312428383426436
Energy: 1.1506058744249947
Energy: 1.1312428383453443
Energy: 1.3448419335575403
Energy: 1.1384245495595267
Energy: 1.1793645054755988
Energy: 1.138424549560877
Energy: 1.4223927800970628
Energy: 1.2262296937293897
Energy: 1.2275920501983426
Energy: 1.2262296937280395
Energy: 1.4227131490542761
Energy: 1.2262650892209175
Energy: 1.4268384797129685
Energy: 1.226265089223618
Energy: 1.3446320994546461
Energy: 1.1380479380386275
Energy: 1.3761741161105072
Energy: 1.1380479380372772
Energy: 1.162443157568938
Energy: 1.2715714290885836
Energy: 1.4283569767886846
Energy: 1.2715714290872333
Energy: 1.1212172250217576
Energy: 1.1337659515876337
Energy: 1.3754560245241256
Energy: 1.1337659515876337
Energy: 1.1912958656066421
Energy: 1.1330119827869343
Energy: 1.3754791557813764
Energy: 1.1330119827869343
Energy: 1.1873660470869314
Energy: 1.184865732715
Energy: 1.375279339576905
Energy: 1.1848657327122996
Energy: 1.3127448650226228
Energy: 1.134974316910782
Energy: 1.4222236716019037
Energy: 1.1349743169094626
Energy: 1.3773567695559563
Energy: 1.132857944705828
Energy: 1.3775885204183456
Energy: 1.1328579447071783
Energy: 1.246031243979379
Energy: 1.2346356119636102
Energy: 1.3772294600337363
Energy: 1.2346356119649604
Energy: 1.295210768700841
Energy: 1.2372304095494668
Energy: 1.2894935207498983
Energy: 1.2372304095521671
Energy: 1.3841564446834942
Energy: 1.234490348428238
Energy: 1.2505286097797585
Energy: 1.2344903484241871
Energy: 1.3927615932456088
Energy: 1.132435693726839
Energy: 1.3694184326553367
Energy: 1.1324356937254887
Energy: 1.3840737394853446
Energy: 1.13542802551505
Energy: 1.312021851447231
Energy: 1.1354280255123494

minimum gb energy = 1.1212172250217576 eV
minimum distance =  2.28704962474338 Angstroms
sigma value = 53


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

Energy: 1.0009828175492363
Energy: 1.0179094702500175
Energy: 1.0345314331630149
Energy: 1.5489320345442226
Energy: 1.0030545115982612
Energy: 1.0306039508337381
Energy: 1.042438879455934
Energy: 1.0306039508328195
Energy: 1.3543937205161536
Energy: 1.0497075950440404
Energy: 1.0305336759650654
Energy: 1.0497075950434045
Energy: 1.2039683688326281
Energy: 1.0546403152040698
Energy: 1.0362264209876892
Energy: 1.054640315203116
Energy: 1.2050068320597627
Energy: 1.0333872543558738
Energy: 1.0426740264608216
Energy: 1.0333872543561915
Energy: 1.2005582143410083
Energy: 1.053385046778647
Energy: 1.2663092907686295
Energy: 1.0533850467777284
Energy: 1.265073738195689
Energy: 1.0520574551369524
Energy: 1.0031620073306635
Energy: 1.0520574551372701
Energy: 1.0373330209888396
Energy: 1.0345859857521158
Energy: 1.00321173656635
Energy: 1.0345859857511976
Energy: 1.035156513141748
Energy: 1.051402342426103
Energy: 1.2663973108027697
Energy: 1.051402342426103
Energy: 1.0386066338709683
Energy: 1.0546007706763982
Energy: 1.1997943732600267
Energy: 1.0546007706763982
Energy: 1.036762596091088
Energy: 1.0310549181523825
Energy: 1.204913657181276
Energy: 1.0310549181539368
Energy: 1.3556969073334588
Energy: 1.1388298581901044
Energy: 1.2040695125426888
Energy: 1.1388298581897867
Energy: 1.0032058681057265
Energy: 1.0504000786003997
Energy: 1.3545327155113605
Energy: 1.0504000785991634

minimum gb energy = 1.0009828175492363 eV
minimum distance =  2.2977168242481 Angstroms
sigma value = 9


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

Energy: 1.7127719169470685
Energy: 1.30733998564838
Energy: 1.3378856226399538
Energy: 1.314064887430627
Energy: 1.5300761484373335
Energy: 1.2621446167202992
Energy: 1.3742007439363626
Energy: 1.2621446167179982
Energy: 1.2417805192870834
Energy: 1.2212497356828675
Energy: 1.2639427098735803
Energy: 1.221249735675964
Energy: 1.2386460889319213
Energy: 1.2207127229495494
Energy: 1.2397314962047792
Energy: 1.2207127229495494
Energy: 1.2147343214684088
Energy: 1.2202356029832764
Energy: 1.2412025564131315
Energy: 1.2202356029809753
Energy: 1.3295433477411462
Energy: 1.263180745216439
Energy: 1.4709167499567484
Energy: 1.263180745216439
Energy: 1.404312868517455
Energy: 1.3750852350279779
Energy: 1.5959694288670083
Energy: 1.3750852349900626
Energy: 1.4812196966858968
Energy: 1.2800760950768473
Energy: 1.589600814218707
Energy: 1.2800760951010086
Energy: 1.392138970096563
Energy: 1.2352611736688948
Energy: 1.3166953632460734
Energy: 1.2352611736711958
Energy: 1.2606577384873732
Energy: 1.2675444873440853
Energy: 1.166968819674303
Energy: 1.2675444873417843
Energy: 1.3907021428263684
Energy: 1.2299905977904084
Energy: 1.16457152200867
Energy: 1.229990597789258
Energy: 1.3575311252009477
Energy: 1.275042695522661
Energy: 1.221091161233965
Energy: 1.2750426955238114
Energy: 1.596175047657002
Energy: 1.3135024344918258
Energy: 1.3123055930489929
Energy: 1.3135024344849224
Energy: 1.5966722392276924
Energy: 1.3116064226528137
Energy: 1.5277281184517737
Energy: 1.3116064226528137
Energy: 1.399839942350971
Energy: 1.2746923994834722
Energy: 1.5102234008161581
Energy: 1.2746923994823218
Energy: 1.2744771072705996
Energy: 1.306432040960107
Energy: 1.4747718076584013
Energy: 1.3064320409589565
Energy: 1.1797750559981994
Energy: 1.1832511976345845
Energy: 1.548012020675078
Energy: 1.1832511976368858
Energy: 1.1988059258040098
Energy: 1.2383338432207538
Energy: 1.5395895639239199
Energy: 1.238333843223055
Energy: 1.2344777801634872
Energy: 1.2824927794320156
Energy: 1.548516661268135
Energy: 1.2824927794285639
Energy: 1.2339760010743994
Energy: 1.3040207494670775
Energy: 1.5479128730577536
Energy: 1.3040207494693787
Energy: 1.4938926712706886
Energy: 1.234234456618863
Energy: 1.5121979669055825
Energy: 1.2342344566200136
Energy: 1.6179897607246774
Energy: 1.2337748052704482
Energy: 1.50469470838619
Energy: 1.2337748052692978
Energy: 1.6192817601918605
Energy: 1.2337992711044143
Energy: 1.2337891102693033
Energy: 1.2337992711032637
Energy: 1.5561400222743298
Energy: 1.2334875812920567
Energy: 1.2215182883105984
Energy: 1.2334875812920567
Energy: 1.5382399986232496
Energy: 1.266446134948605
Energy: 1.1787541857636308
Energy: 1.266446134942852
Energy: 1.368778257938905
Energy: 1.3054858339359379
Energy: 1.180070126876894
Energy: 1.3054858339370883
Energy: 1.5506365891041995
Energy: 1.2699065169785126
Energy: 1.4762934635327551
Energy: 1.2699065169819646
Energy: 1.5199423122547004
Energy: 1.3031450417308166
Energy: 1.6076202038638858
Energy: 1.3031450417285153
Energy: 1.3145762559742966
Energy: 1.2863698209262138
Energy: 1.6185072411908863
Energy: 1.286369820952676
Energy: 1.3114067219363545
Energy: 1.2977151951228838
Energy: 1.6111892463035942
Energy: 1.2977151951194321
Energy: 1.2137709831874786
Energy: 1.2265420524619206
Energy: 1.3911208997013564
Energy: 1.2265420524596196
Energy: 1.1656030706121914
Energy: 1.1665378678211815
Energy: 1.3885001677629465
Energy: 1.166537867825784
Energy: 1.2668068262058023
Energy: 1.26845986031054
Energy: 1.3906651662070233
Energy: 1.2684598603070885
Energy: 1.458712724756385
Energy: 1.2629207232998445
Energy: 1.508343330011136
Energy: 1.262920723298694
Energy: 1.6160295704805996
Energy: 1.3886551975939596
Energy: 1.4985146633809299
Energy: 1.3886551975916586

minimum gb energy = 1.16457152200867 eV
minimum distance =  2.24033577640024 Angstroms
sigma value = 73


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

Energy: 1.6994304794167836
Energy: 1.2990181461049428
Energy: 1.3637684359131044
Energy: 1.3627898955310005
Energy: 1.571055704431833
Energy: 1.3259885692405495
Energy: 1.3885083865662884
Energy: 1.3259885692421882
Energy: 1.2991206537945357
Energy: 1.2515692562332517
Energy: 1.3232541889223262
Energy: 1.2515692562337908
Energy: 1.2938659605546856
Energy: 1.2516423242616799
Energy: 1.2932143124058957
Energy: 1.2516423242631318
Energy: 1.2954457560592023
Energy: 1.2510347751992965
Energy: 1.3277191191819326
Energy: 1.2510347751981972
Energy: 1.3870586808784457
Energy: 1.3299429085319308
Energy: 1.4816982861252266
Energy: 1.3299429085328436
Energy: 1.390232398690693
Energy: 1.3887156308505264
Energy: 1.598114215514593
Energy: 1.3887156308503397
Energy: 1.5624973653817873
Energy: 1.3078586155424219
Energy: 1.6385458993924165
Energy: 1.3078586155429612
Energy: 1.5077530250148097
Energy: 1.2630954399109697
Energy: 1.3979489607271733
Energy: 1.2630954399120689
Energy: 1.3233992361961775
Energy: 1.320731396007979
Energy: 1.1860423529549051
Energy: 1.320731396006527
Energy: 1.507795521637569
Energy: 1.2719118962892435
Energy: 1.180726440812876
Energy: 1.2719118962919815
Energy: 1.5262095165446488
Energy: 1.2972013630751205
Energy: 1.2553119964397321
Energy: 1.2972013630756807
Energy: 1.4716618970253053
Energy: 1.2366893154315282
Energy: 1.236689716027459
Energy: 1.2366893154298895
Energy: 1.4713598867082105
Energy: 1.3325186619888982
Energy: 1.5396457978719589
Energy: 1.3325186619887117
Energy: 1.5720476746551508
Energy: 1.3047956845441666
Energy: 1.609125674831701
Energy: 1.3047956845434403
Energy: 1.532174481113969
Energy: 1.33276662052461
Energy: 1.6298295876301803
Energy: 1.3327666205220585
Energy: 1.2366906832648201
Energy: 1.2855268710502452
Energy: 1.6218308244578452
Energy: 1.285526871051884
Energy: 1.2552571161957673
Energy: 1.2970700430144857
Energy: 1.5932603515249917
Energy: 1.2970700430153985
Energy: 1.1807305068610512
Energy: 1.1841197648997692
Energy: 1.5041771987080546
Energy: 1.1841197648990431
Energy: 1.2278181693589727
Energy: 1.3211715906451766
Energy: 1.4877050721295244
Energy: 1.32117159064443
Energy: 1.370523956190528
Energy: 1.270242149298502
Energy: 1.503793235192709
Energy: 1.270242149299062
Energy: 1.615864612964695
Energy: 1.3128666924724688
Energy: 1.5851704302680005
Energy: 1.3128666924739207

minimum gb energy = 1.180726440812876 eV
minimum distance =  2.26343321793186 Angstroms
sigma value = 7


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

Energy: 2.532397063579163
Energy: 1.3990088981059245
Energy: 1.465157743929119
Energy: 1.4677840004839897
Energy: 1.6520085834820881
Energy: 1.2964420777632728
Energy: 1.3867226118220783
Energy: 1.296442077761982
Energy: 1.4160703252542175
Energy: 1.2849669983559737
Energy: 1.3859969888321122
Energy: 1.2849669983559737
Energy: 1.3268426719322726
Energy: 1.292762878254299
Energy: 1.3064495255240933
Energy: 1.292762878254299
Energy: 1.3331811250777728
Energy: 1.2826522889387852
Energy: 1.3330361822266008
Energy: 1.2826522889362035
Energy: 1.4040093836515908
Energy: 1.2837165040885146
Energy: 1.5134368168419046
Energy: 1.2837165040898053
Energy: 1.3894297606744337
Energy: 1.4786123128820832
Energy: 1.6973504992333823
Energy: 1.478612312879502
Energy: 1.4904063291476426
Energy: 1.315061537986739
Energy: 1.6971753516023138
Energy: 1.315061537981576
Energy: 1.4494003446972108
Energy: 1.3447822880493996
Energy: 1.4253276549332865
Energy: 1.3447822880455271
Energy: 1.499012184836348
Energy: 1.4474825148898858
Energy: 1.2768706591798888
Energy: 1.4474825148860135
Energy: 1.4476791353925813
Energy: 1.2836292018222182
Energy: 1.2499681160649194
Energy: 1.2836292018248
Energy: 1.5448505909089418
Energy: 1.331039688323204
Energy: 1.3201759638665767
Energy: 1.3310396883193318
Energy: 1.6627510170504456
Energy: 1.2805231671461659
Energy: 1.258912456255405
Energy: 1.2805231671448754
Energy: 1.669992124336846
Energy: 1.3210001413036538
Energy: 1.5045342123426162
Energy: 1.3210001412997814
Energy: 1.546874484135672
Energy: 1.3418327290594794
Energy: 1.6810838997808326
Energy: 1.3418327290594794
Energy: 1.4736594781797359
Energy: 1.2175275986675957
Energy: 1.7824811349673269
Energy: 1.217527598666305
Energy: 1.3331651075059512
Energy: 1.2152461673061732
Energy: 1.79189607012788
Energy: 1.215246167308755
Energy: 1.4309751083487512
Energy: 1.3018126588856787
Energy: 1.481744097849889
Energy: 1.3018126588869696
Energy: 1.3719053830107666
Energy: 1.3054693346684672
Energy: 1.330910196616013
Energy: 1.305469334664595
Energy: 1.374507886280883
Energy: 1.305673916277814
Energy: 1.3317912024003118
Energy: 1.305673916273971
Energy: 1.3900504534322584
Energy: 1.208366235996682
Energy: 1.3395418902008904
Energy: 1.2083662359953915
Energy: 1.7070667960464065
Energy: 1.4165522344300463
Energy: 1.3867226722368766
Energy: 1.4165522344300463
Energy: 1.7013035333561335
Energy: 1.5015411656889117
Energy: 1.554754579287688
Energy: 1.5015411656940751
Energy: 1.3901601412226279
Energy: 1.262787623959813
Energy: 1.5292244605543917
Energy: 1.262787623958522
Energy: 1.341016780419341
Energy: 1.3669146397105694
Energy: 1.4932401540683795
Energy: 1.366914639713151
Energy: 1.2479680515827625
Energy: 1.2807490619677504
Energy: 1.4831842436317417
Energy: 1.2807490619703317
Energy: 1.3307950415811607
Energy: 1.2563768769670676
Energy: 1.5555730292938332
Energy: 1.2563768769748123
Energy: 1.2334049116214807
Energy: 1.2309461455358441
Energy: 1.6300024958000559
Energy: 1.2309461455332626
Energy: 1.2586920233781629
Energy: 1.3078544294477357
Energy: 1.6144646278344914
Energy: 1.3078544294257928
Energy: 1.5413694739820014
Energy: 1.3221477489143456
Energy: 1.6299458000567844
Energy: 1.322147748911764
Energy: 1.6509306953545506
Energy: 1.4160090297413108
Energy: 1.6429530397406091
Energy: 1.4160090297451833

minimum gb energy = 1.2083662359953915 eV
minimum distance =  2.25030962556828 Angstroms
sigma value = 29


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

Energy: 1.62091303467747
Energy: 1.2588597979689031
Energy: 1.3930662926308208
Energy: 1.474446919334024
Energy: 1.4106114714404852
Energy: 1.224992822154065
Energy: 1.3903650458244274
Energy: 1.224992822153191
Energy: 1.3596142770527737
Energy: 1.2191727084040604
Energy: 1.2824012074245839
Energy: 1.2191727084036108
Energy: 1.2877490821910738
Energy: 1.217077512682147
Energy: 1.1116446421839759
Energy: 1.2170775126825966
Energy: 1.2908772270996653
Energy: 1.2260161110588093
Energy: 1.2768310895651505
Energy: 1.2260161110597088
Energy: 1.286287530833183
Energy: 1.2181674186230291
Energy: 1.3404447127745385
Energy: 1.2181674186225793
Energy: 1.3961433884897083
Energy: 1.391979286902176
Energy: 1.26334265654593
Energy: 1.3919792869017513
Energy: 1.4366431757443527
Energy: 1.2217512722056143
Energy: 1.3408292041571945
Energy: 1.2217512722091362
Energy: 1.4099223298751151
Energy: 1.2563671201702922
Energy: 1.436837511145269
Energy: 1.2563671201689932

minimum gb energy = 1.1116446421839759 eV
minimum distance =  2.25510894136037 Angstroms
sigma value = 5


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

Energy: 1.6915240232738928
Energy: 1.569120456007757
Energy: 1.7359389748021288
Energy: 1.6617639640228907
Energy: 1.3034623685460738
Energy: 1.2503103372796907
Energy: 1.5054433383879924
Energy: 1.250310337285787
Energy: 1.1881439393774003
Energy: 1.1961767976460311
Energy: 1.4915144119939012
Energy: 1.1961767976472506
Energy: 1.1864983790582062
Energy: 1.2498900749104978
Energy: 1.4213983640105956
Energy: 1.2498900749068402
Energy: 1.2307574987736916
Energy: 1.2154410749099889
Energy: 1.4425559882700731
Energy: 1.2154410749623628
Energy: 1.212730071831903
Energy: 1.2292200928915984
Energy: 1.4012940660005146
Energy: 1.2292200928915984
Energy: 1.204350755859636
Energy: 1.2837715590032597
Energy: 1.3619854562320852
Energy: 1.2837715590056984
Energy: 1.205269458783093
Energy: 1.2293639992384162
Energy: 1.3585329599922604
Energy: 1.2293639992359782
Energy: 1.5298212675332379
Energy: 1.279565700346684
Energy: 1.4013740034228426
Energy: 1.2795657003661927
Energy: 1.4847743967234563
Energy: 1.430089739908627
Energy: 1.4915262410156052
Energy: 1.430089739904969
Energy: 1.5298822615079175
Energy: 1.2594860187551749
Energy: 1.5594326448323974
Energy: 1.259486018760052
Energy: 1.4161711435039195
Energy: 1.2307081035591239
Energy: 1.5493777833043028
Energy: 1.2307081035591239
Energy: 1.3455242714217024
Energy: 1.3377199983485324
Energy: 1.5549034232081573
Energy: 1.3377199983534096
Energy: 1.3967455130001107
Energy: 1.3212600727148505
Energy: 1.2069154305196215
Energy: 1.3212600727148505
Energy: 1.365127957211307
Energy: 1.2870412072629929
Energy: 1.205439056467737
Energy: 1.2870412072642121
Energy: 1.360915953432546
Energy: 1.2300000141296952
Energy: 1.2053681150001485
Energy: 1.230000014126037
Energy: 1.443193115471752
Energy: 1.314933603863072
Energy: 1.2547778162954955
Energy: 1.3149336038618524
Energy: 1.4927911938353027
Energy: 1.199868326436148
Energy: 1.188905255603004
Energy: 1.199868326436148
Energy: 1.4971427055984183
Energy: 1.334717415401184
Energy: 1.1872120047699932
Energy: 1.3347174154036228
Energy: 1.5107602568589396
Energy: 1.1956179723968563
Energy: 1.190421485622845
Energy: 1.1956179723968563
Energy: 1.5180779133160578
Energy: 1.258554776006238
Energy: 1.6184065138685235
Energy: 1.258554776006238
Energy: 1.63686654267338
Energy: 1.4390910892284725
Energy: 1.6215739302348195
Energy: 1.4390910892223758
Energy: 1.5859536652708117
Energy: 1.212756675115659
Energy: 1.286500836366028
Energy: 1.2127566751120014
Energy: 1.5544959612971843
Energy: 1.2356368651593497
Energy: 1.2887183978472563
Energy: 1.2356368651581302
Energy: 1.5536441613834062
Energy: 1.1989046502994332
Energy: 1.2322022689867016
Energy: 1.198904650298214
Energy: 1.3675252550366337
Energy: 1.259387218808827
Energy: 1.3097336288735772
Energy: 1.2593872188112656
Energy: 1.2541879229723174
Energy: 1.2548087403854857
Energy: 1.261957644451814
Energy: 1.2548087403854857
Energy: 1.2600053607257424
Energy: 1.2514857921047597
Energy: 1.2556129551717166
Energy: 1.2514857921071982
Energy: 1.290788204262017
Energy: 1.2813855102245817
Energy: 1.3308565433922788
Energy: 1.281385510222143
Energy: 1.2521510349421343
Energy: 1.2329040138008227
Energy: 1.4853983592930222
Energy: 1.2329040138008227
Energy: 1.2973910799847708
Energy: 1.2356440354112517
Energy: 1.487154318310141
Energy: 1.235644035412471
Energy: 1.2159327193140796
Energy: 1.2090328923422207
Energy: 1.5818626381590981
Energy: 1.2090328923483173
Energy: 1.6867149321495776
Energy: 1.4397910566777312
Energy: 1.5775082508898506
Energy: 1.4397910566740733

minimum gb energy = 1.1864983790582062 eV
minimum distance =  2.2350490102015 Angstroms
sigma value = 1


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

Energy: 2.1786265672131453
Energy: 1.4193704570735386
Energy: 1.522791692884496
Energy: 1.612872378674803
Energy: 1.3214476076730324
Energy: 1.323249402518259
Energy: 1.3349592689348548
Energy: 1.3232494025165733
Energy: 1.2241642825389245
Energy: 1.2347137938493973
Energy: 1.4180976660168572
Energy: 1.2347137938477115
Energy: 1.220446052373306
Energy: 1.2345374867526826
Energy: 1.282566253709702
Energy: 1.2345374867509968
Energy: 1.283455520419849
Energy: 1.2346094610938494
Energy: 1.2564615372881092
Energy: 1.2346094610955352
Energy: 1.247959647590097
Energy: 1.2328052551046123
Energy: 1.436080972314156
Energy: 1.2328052551046123
Energy: 1.227311849228383
Energy: 1.3307588058650843
Energy: 1.4630578559238077
Energy: 1.3307588058633986
Energy: 1.284147617626213
Energy: 1.2320867109862972
Energy: 1.4561982445026602
Energy: 1.232086710987983
Energy: 1.3387736762656715
Energy: 1.3083836524058372
Energy: 1.4281437483218327
Energy: 1.3083836524058372
Energy: 1.458112907863704
Energy: 1.6797850363760547
Energy: 1.7262225580525759
Energy: 1.6797850363760547
Energy: 1.1519357587032781
Energy: 1.4270409505538701
Energy: 1.5242709456353092
Energy: 1.4270409505538701
Energy: 1.1525053336457756
Energy: 1.1155581027194579
Energy: 1.550499293374134
Energy: 1.1155581027177721
Energy: 1.1491371480390002
Energy: 1.116511570057244
Energy: 1.5461547858313602
Energy: 1.1165115700589299
Energy: 1.1518489390285949
Energy: 1.1158352492621475
Energy: 1.4666244284578165
Energy: 1.1158352492604615
Energy: 1.2824743685656643
Energy: 1.3215586430460353
Energy: 1.3658147855135123
Energy: 1.3215586430460353
Energy: 1.282758551548097
Energy: 1.1819122430998812
Energy: 1.332613823464609
Energy: 1.1819122430998812
Energy: 1.4275190261656177
Energy: 1.1884236891744626
Energy: 1.2799175903997473
Energy: 1.1884236891744626
Energy: 1.4376999468072225
Energy: 1.2437761214080512
Energy: 1.2452647966394217
Energy: 1.2437761214080512
Energy: 1.447384159420162
Energy: 1.3211288935278205
Energy: 1.2666464477919566
Energy: 1.3211288935278205
Energy: 1.4652989748380958
Energy: 1.259650076877607
Energy: 1.2968884545283816
Energy: 1.259650076880979
Energy: 1.402159891670121
Energy: 1.235714682125187
Energy: 1.4581394933329803
Energy: 1.235714682125187
Energy: 1.4316485486480366
Energy: 1.2350441713663736
Energy: 1.4591327368861442
Energy: 1.2350441713646876
Energy: 1.4392332262747116
Energy: 1.2953512315613387
Energy: 1.3636786517136543
Energy: 1.2953512315613387
Energy: 1.3954480218029852
Energy: 1.3888829891650816
Energy: 1.4409181927303383
Energy: 1.3888829891684533

minimum gb energy = 1.1155581027177721 eV
minimum distance =  2.22745095616175 Angstroms
sigma value = 17


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

Energy: 1.7830446573786811
Energy: 1.5507308322878
Energy: 1.7265973355409518
Energy: 1.6817946611598376
Energy: 1.163142706522915
Energy: 1.2024032522423422
Energy: 1.452850389622235
Energy: 1.2024032522423422
Energy: 1.166110391687052
Energy: 1.1613086113982594
Energy: 1.4647416617454703
Energy: 1.1613086113993014
Energy: 1.1585420034808318
Energy: 1.1629901523903134
Energy: 1.4711883839570918
Energy: 1.1629901523903134
Energy: 1.1637115755488316
Energy: 1.2327272917990486
Energy: 1.3133610023154492
Energy: 1.2327272917980066
Energy: 1.2210854976985972
Energy: 1.204688537736489
Energy: 1.2506915180444802
Energy: 1.2046885377302372
Energy: 1.2298846918526352
Energy: 1.205881116339414
Energy: 1.221500491365975
Energy: 1.205881116344624
Energy: 1.2869328820193113
Energy: 1.2079054506417097
Energy: 1.2184989252063432
Energy: 1.2079054506396256
Energy: 1.4517391915829847
Energy: 1.1624180709827305
Energy: 1.1560492163411058
Energy: 1.1624180709764784
Energy: 1.4056473696890759
Energy: 1.1654059712670435
Energy: 1.16647639502072
Energy: 1.1654059712503715
Energy: 1.5013706693362814
Energy: 1.1625329171680092
Energy: 1.1631643006129875
Energy: 1.1625329171680092
Energy: 1.468734733185778
Energy: 1.1997318351127928
Energy: 1.504536962432355
Energy: 1.199731835113835
Energy: 1.6700211224331818
Energy: 1.1975293078929583
Energy: 1.5152263212099293
Energy: 1.1975293078992104
Energy: 1.3669247848550041
Energy: 1.2783732085438415
Energy: 1.160532946828385
Energy: 1.2783732085344635
Energy: 1.4572755444879306
Energy: 1.1641180098051258
Energy: 1.2966737517830351
Energy: 1.1641180098092938
Energy: 1.602315165005781
Energy: 1.1622490011276794
Energy: 1.2508854151645439
Energy: 1.1622490011412254
Energy: 1.1984181886726561
Energy: 1.1977189083960154
Energy: 1.3378374330659215
Energy: 1.1977189083980995
Energy: 1.1992984017796298
Energy: 1.227776445539925
Energy: 1.3058965325395044
Energy: 1.2277764455347149
Energy: 1.1954964647608695
Energy: 1.198640223823153
Energy: 1.2952137124852763
Energy: 1.1986402238273213
Energy: 1.234266607563209
Energy: 1.2789521679507057
Energy: 1.4242264715977475
Energy: 1.2789521679527895
Energy: 1.173028062918543
Energy: 1.1797333063555255
Energy: 1.4072029443686902
Energy: 1.1797333063565674
Energy: 1.17590494460171
Energy: 1.1809490202046575
Energy: 1.4043852025460573
Energy: 1.1809490202036153
Energy: 1.1771704994016836
Energy: 1.310182782524874
Energy: 1.3096941624061065
Energy: 1.310182782526958
Energy: 1.515757404204324
Energy: 1.2637308429436633
Energy: 1.3850874189809503
Energy: 1.2637308429592933
Energy: 1.5094180732934084
Energy: 1.1809353356296342
Energy: 1.3163440619549793
Energy: 1.1809353356254662
Energy: 1.3123709093661342
Energy: 1.1872921768040687
Energy: 1.377991068674043
Energy: 1.1872921768071947
Energy: 1.4879520023305848
Energy: 1.4671490190438883
Energy: 1.5831002112906096
Energy: 1.4671490190470142
Energy: 1.327527039814103
Energy: 1.180850994256417
Energy: 1.4270424170602742
Energy: 1.1808509942543328
Energy: 1.4052787802945013
Energy: 1.1810460588067506
Energy: 1.1792592044206602
Energy: 1.181046058807793
Energy: 1.3610216188348077
Energy: 1.1823720728767033
Energy: 1.1761566282623581
Energy: 1.1823720728694096
Energy: 1.3999574454142067
Energy: 1.1827785628334502
Energy: 1.1772519170087337
Energy: 1.1827785628324081
Energy: 1.338999666852737
Energy: 1.2029034994935588
Energy: 1.1876507053691783
Energy: 1.202903499488349
Energy: 1.3018132254462553
Energy: 1.2019008788871683
Energy: 1.1948871663236071
Energy: 1.201900878894462
Energy: 1.293842908623988
Energy: 1.1971835710242125
Energy: 1.191892372487768
Energy: 1.1971835710252543
Energy: 1.2497200088942362
Energy: 1.1626998322007476
Energy: 1.2801918079591186
Energy: 1.1626998322090836
Energy: 1.2685495941446998
Energy: 1.2693536354677426
Energy: 1.5232165328522247
Energy: 1.2693536354583643
Energy: 1.2973600942604548
Energy: 1.1616636503897557
Energy: 1.4531023056657986
Energy: 1.1616636503949653
Energy: 1.4274957732371376
Energy: 1.2010421886696687
Energy: 1.4925740170558148
Energy: 1.2010421886644587

minimum gb energy = 1.1560492163411058 eV
minimum distance =  2.23648731424802 Angstroms
sigma value = 89


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

Energy: 2.0782035616809766
Energy: 1.2396582948240393
Energy: 1.3700981285686702
Energy: 1.3668588013098024
Energy: 1.130073147732372
Energy: 1.1332692355224994
Energy: 1.127167660323505
Energy: 1.1332692354246896
Energy: 1.1281416362302699
Energy: 1.1314489163718506
Energy: 1.2314493601405394
Energy: 1.131448916373214
Energy: 1.124546534712337
Energy: 1.1316670972352627
Energy: 1.2318051008357362
Energy: 1.1316670972349838
Energy: 1.123752022790464
Energy: 1.1550360141753964
Energy: 1.2495962814662873
Energy: 1.1550360141751175
Energy: 1.1827665516215962
Energy: 1.1394620906406578
Energy: 1.2409332932231338
Energy: 1.1394620906387374
Energy: 1.1875141274121093
Energy: 1.138202201873777
Energy: 1.1839237031218137
Energy: 1.138202201874056
Energy: 1.2488963607977248
Energy: 1.1463343997898647
Energy: 1.1828467376140495
Energy: 1.1463343997972073
Energy: 1.2986905872005088
Energy: 1.1320649334867436
Energy: 1.1209811205184477
Energy: 1.132064933486465
Energy: 1.3019736432238525
Energy: 1.1316868458998461
Energy: 1.122804538183882
Energy: 1.131686845907189
Energy: 1.3011842177524258
Energy: 1.1329716640736969
Energy: 1.1284805495369776
Energy: 1.132971664073418
Energy: 1.3907956266878632
Energy: 1.1306498119532185
Energy: 1.3899099001877715
Energy: 1.1306498119526915
Energy: 1.4129603962062665
Energy: 1.131216236674237
Energy: 1.3893940291790992
Energy: 1.1312162366756002
Energy: 1.1276919053903849
Energy: 1.2250672713833266
Energy: 1.1280330357353001
Energy: 1.2250672713836055
Energy: 1.1318142723655429
Energy: 1.1316057115944331
Energy: 1.1273672663939693
Energy: 1.1316057115941855

minimum gb energy = 1.1209811205184477 eV
minimum distance =  2.25498731720629 Angstroms
sigma value = 13


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

Energy: 1.300448001096342
Energy: 1.1907615590443423
Energy: 1.3653861773287708
Energy: 1.3975227539721886
Energy: 1.090810497913158
Energy: 1.1019997895582065
Energy: 1.0978183475918513
Energy: 1.1019997895547784
Energy: 1.097364044230407
Energy: 1.099213420729229
Energy: 1.271357778082185
Energy: 1.099213420729229
Energy: 1.0935239236533774
Energy: 1.0986968190520066
Energy: 1.2675179477042158
Energy: 1.098696819049721
Energy: 1.1011225271944198
Energy: 1.1940100485451188
Energy: 1.17452342048289
Energy: 1.1940100485474043
Energy: 1.2050304635345277
Energy: 1.0830108983263214
Energy: 1.1275668956449623
Energy: 1.0830108983263214
Energy: 1.202548248243483
Energy: 1.0821102576769408
Energy: 1.1147607509691493
Energy: 1.0821102576780837
Energy: 1.2448487459947848
Energy: 1.0842415528678413
Energy: 1.1199166236069185
Energy: 1.0842415528552714
Energy: 1.2007487372906855
Energy: 1.0852788801654432
Energy: 1.11875496398343
Energy: 1.0852788801643005
Energy: 1.2032405439605232
Energy: 1.084644323953766
Energy: 1.1122207854813724
Energy: 1.084644323953766
Energy: 1.189812517880718
Energy: 1.0893208297691062
Energy: 1.1787969612966498
Energy: 1.0893208297679635
Energy: 1.0990166226021578
Energy: 1.099606901041105
Energy: 1.203402543958231
Energy: 1.0996069010422478
Energy: 1.0970344814560626
Energy: 1.0982364959775004
Energy: 1.2013502228189037
Energy: 1.0982364959775004
Energy: 1.096863524275531
Energy: 1.2473952761432057
Energy: 1.204077522928987
Energy: 1.24739527094722
Energy: 1.399876235186272
Energy: 1.1006267656151125
Energy: 1.0964681550494608
Energy: 1.1006267656093986
Energy: 1.400548000277282
Energy: 1.0985436709473198
Energy: 1.096142380863438
Energy: 1.098543670950748
Energy: 1.0970798808735767
Energy: 1.103341144469487
Energy: 1.097957909278952
Energy: 1.103341144469487
Energy: 1.1003771865446867
Energy: 1.0992313953511264
Energy: 1.2665389802732636
Energy: 1.0992313953511264
Energy: 1.0976054775598658
Energy: 1.099858706764419
Energy: 1.090891136929421
Energy: 1.099858706764419
Energy: 1.2010455626324146
Energy: 1.101953189994885
Energy: 1.1013233151460151
Energy: 1.1019531899971704
Energy: 1.2682016703677357
Energy: 1.1474986740546111
Energy: 1.0955869281148143
Energy: 1.1474986740546111
Energy: 1.1750762854789556
Energy: 1.1944553827097009
Energy: 1.1020423102120813
Energy: 1.1944553827119864
Energy: 1.1765263669813801
Energy: 1.083965870040326
Energy: 1.2010434288053113
Energy: 1.083965870040326
Energy: 1.1172526255047919
Energy: 1.0840469867541467
Energy: 1.1312263970178753
Energy: 1.0840469867541467
Energy: 1.1174376188968418
Energy: 1.09348083855969
Energy: 1.1949223219629852
Energy: 1.09348083855969
Energy: 1.1164485603660883
Energy: 1.0889563518505665
Energy: 1.2541234525919962
Energy: 1.0889563518517091
Energy: 1.113805430320302
Energy: 1.0857269088048114
Energy: 1.20384560672751
Energy: 1.085726908805954
Energy: 1.176918204672816
Energy: 1.086546900227446
Energy: 1.1997911099937943
Energy: 1.0865469002285886
Energy: 1.1752450994866435
Energy: 1.1002506951735092
Energy: 1.099982888837643
Energy: 1.1002506951666526
Energy: 1.1996129650066831
Energy: 1.0992344027838286
Energy: 1.0997002180918378
Energy: 1.0992344027804004
Energy: 1.199728803959952
Energy: 1.1036761030386735
Energy: 1.0972569561704604
Energy: 1.1036761030386735
Energy: 1.099597836145714
Energy: 1.098719080559848
Energy: 1.2001582011790495
Energy: 1.0987190805644191
Energy: 1.0968801913394899
Energy: 1.1075844841890967
Energy: 1.399410348553852
Energy: 1.1075844841925249
Energy: 1.0962493495954915
Energy: 1.1074989977876597
Energy: 1.0962975163496025
Energy: 1.1074989977968015
Energy: 1.0908175402987859
Energy: 1.098731076439434
Energy: 1.0980597884623013
Energy: 1.098731076439434

minimum gb energy = 1.0821102576769408 eV
minimum distance =  2.26169256290131 Angstroms
sigma value = 37


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

Energy: 1.3186291065897693
Energy: 1.1306301673100296
Energy: 1.2984566877822559
Energy: 1.3346029825839434
Energy: 1.0413341977098787
Energy: 1.0592346844311489
Energy: 1.055797195570624
Energy: 1.0592346844299647
Energy: 1.0552989711756697
Energy: 1.0609138488670007
Energy: 1.2667865831820615
Energy: 1.0609138488672016
Energy: 1.0529183416035088
Energy: 1.060286427961771
Energy: 1.2669717683274078
Energy: 1.0602864279627542
Energy: 1.1725826634034124
Energy: 1.114507042886689
Energy: 1.112158051998745
Energy: 1.114507042882556
Energy: 1.2009411343089753
Energy: 1.0278378281923046
Energy: 1.0601248940236077
Energy: 1.027837828192707
Energy: 1.1271722706098086
Energy: 1.0274128477318747
Energy: 1.0569806095599967
Energy: 1.0274128477310926
Energy: 1.174985003318549
Energy: 1.0136322020873874
Energy: 1.0654967366537762
Energy: 1.0136322020862032
Energy: 1.101520392020537
Energy: 1.0070428592379597
Energy: 1.0999356338163016
Energy: 1.007042859238563
Energy: 1.1001164015191365
Energy: 1.0062548838396626
Energy: 1.1017913455937496
Energy: 1.0062548838396626
Energy: 1.154323906881813
Energy: 1.1013145634494115
Energy: 1.1752021174046878
Energy: 1.1013145634490091
Energy: 1.0572399419444236
Energy: 1.0272951920294018
Energy: 1.20191402891864
Energy: 1.0272951920289997
Energy: 1.0595392838009299
Energy: 1.0274780910950445
Energy: 1.2015792486108456
Energy: 1.0274780910948436
Energy: 1.1126426145445727
Energy: 1.048692304606635
Energy: 1.171978239434363
Energy: 1.0486923049833556
Energy: 1.1945588008645542
Energy: 1.059795249058456
Energy: 1.054157359719084
Energy: 1.059795249058456
Energy: 1.1192583030096486
Energy: 1.0603098477170363
Energy: 1.0552490447847465
Energy: 1.0603098477172377
Energy: 1.1849014831067524
Energy: 1.1130019964199112
Energy: 1.0549357833118749
Energy: 1.1130019964240443
Energy: 1.0556898461467594
Energy: 1.0551158400092033
Energy: 1.17922541393869
Energy: 1.0551158400084213
Energy: 1.0553638358582629
Energy: 1.0607695238477104
Energy: 1.17957335842236
Energy: 1.0607695238484922
Energy: 1.054985558456171
Energy: 1.059278567584652
Energy: 1.0552127902496211
Energy: 1.059278567584853

minimum gb energy = 1.0062548838396626 eV
minimum distance =  2.26062082925237 Angstroms
sigma value = 25


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

Energy: 1.3046957518423359
Energy: 1.0406578210314212
Energy: 1.177420114222197
Energy: 1.2001940537283982
Energy: 0.9696539276323644
Energy: 0.9816636040553024
Energy: 1.0214937478191513
Energy: 0.9816636040553024
Energy: 0.9839466127343375
Energy: 0.9896316504239348
Energy: 1.0601940299812849
Energy: 0.9896316504223994
Energy: 0.9835266029030262
Energy: 0.9885657739167073
Energy: 1.124328007299508
Energy: 0.9885657739151721
Energy: 1.0192128813435053
Energy: 0.9808276869210873
Energy: 1.022019606991337
Energy: 0.9808276869364394
Energy: 1.1259680846086926
Energy: 0.9519213411553139
Energy: 0.9737720159079978
Energy: 0.9519213411568492
Energy: 1.1260665867976818
Energy: 0.9523521405029021
Energy: 0.972739723810644
Energy: 0.9523521405013667
Energy: 1.0573634080754777
Energy: 1.0615954685403368
Energy: 1.071532852192502
Energy: 1.0615954685403368
Energy: 0.9905734942230037
Energy: 0.9177884573073706
Energy: 1.09106377753484
Energy: 0.9177884573073706
Energy: 0.9909511824764622
Energy: 0.9172978169812321
Energy: 1.0908025118388744
Energy: 0.9172978169812321
Energy: 1.0262158560841168
Energy: 1.043099019982458
Energy: 1.0640863021972717
Energy: 1.043099025133931
Energy: 1.0298127978002363
Energy: 0.9068199874904378
Energy: 1.0323878861745426
Energy: 0.9068199874889026
Energy: 1.030902733197566
Energy: 0.9092225200811673
Energy: 1.0294699118509216
Energy: 0.9092225200811673
Energy: 1.0642632213397445
Energy: 0.9604349082603022
Energy: 1.0094752068844113
Energy: 0.9604349082618375
Energy: 1.0915124778435945
Energy: 0.9187404600907229
Energy: 0.98725522144654
Energy: 0.9187404600922582
Energy: 1.091142685430829
Energy: 0.9167791765214485
Energy: 0.9900461299887288
Energy: 0.9167791765229836
Energy: 0.9891928698369284
Energy: 0.9571006478140294
Energy: 1.0576903396406245
Energy: 0.9571006478170998
Energy: 0.9714569624728059
Energy: 0.951880766162456
Energy: 1.0883210049020162
Energy: 0.9518807661609208
Energy: 0.9738232942189056
Energy: 0.9525930155191407
Energy: 1.180630633727098
Energy: 0.9525930155176054
Energy: 1.0216116252516212
Energy: 0.9863489091132278
Energy: 1.1007106866288543
Energy: 0.9863489091132278
Energy: 1.1784580932519375
Energy: 1.0115661824464481
Energy: 0.9837902047345483
Energy: 1.0115661824479836
Energy: 1.02169641456153
Energy: 0.9895900055371135
Energy: 0.9837489129992228
Energy: 0.9895900055371135
Energy: 1.0214837942162698
Energy: 0.9892816139649542
Energy: 1.018120711371152
Energy: 0.9892816139649542
Energy: 0.9868621585890773
Energy: 0.9899345349809361
Energy: 1.1866363281026424
Energy: 0.9899345349824714
Energy: 0.9841903441537208
Energy: 0.9872807232974574
Energy: 0.9842985096258922
Energy: 0.9872807232989926
Energy: 1.2254436635371095
Energy: 0.9885542932156797
Energy: 0.983936822431125
Energy: 0.9885542932141795

minimum gb energy = 0.9068199874889026 eV
minimum distance =  2.2714229150857 Angstroms
sigma value = 41


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

Energy: 1.2487610602181374
Energy: 0.9670717549836433
Energy: 1.0754770115113979
Energy: 1.0947274503699196
Energy: 0.9062290494248056
Energy: 0.9126594684074026
Energy: 0.9042718046583106
Energy: 0.9126594684124372
Energy: 0.9191253826785418
Energy: 0.9228401315528647
Energy: 0.9448645117274073
Energy: 0.9228401315528647
Energy: 0.9191642724987039
Energy: 0.922511007701837
Energy: 0.9525145860104155
Energy: 0.922511007705613
Energy: 0.9514075766532833
Energy: 0.9131495342052229
Energy: 0.9490034542055484
Energy: 0.9131495342014756
Energy: 0.905865743518415
Energy: 0.8910200740817252
Energy: 0.9038505652572267
Energy: 0.8910200740817252
Energy: 0.9090161148997576
Energy: 0.8908144859383965
Energy: 0.9042002586199711
Energy: 0.8908144859396553
Energy: 0.9760038407850717
Energy: 0.9301549972982458
Energy: 0.9315287602732879
Energy: 0.9301549973020216
Energy: 0.9098264233560369
Energy: 0.8552340325701616
Energy: 1.0423227643077089
Energy: 0.8552340325714203
Energy: 0.9061157127309344
Energy: 0.8555623618495117
Energy: 1.0439814601918846
Energy: 0.8555623618457645
Energy: 0.9441702408926832
Energy: 0.9957821493557204
Energy: 0.9830212393923273
Energy: 0.9957821476573415
Energy: 1.0166426468706715
Energy: 0.8367761972515944
Energy: 0.9286854011334791
Energy: 0.8367761972541116
Energy: 0.9950843107327627
Energy: 0.8395882092308125
Energy: 0.9353002340706322
Energy: 0.8395882092282951
Energy: 0.9849880049185141
Energy: 0.8300397490607548
Energy: 0.9655970044901933
Energy: 0.8300397490620134
Energy: 0.9686633067507224
Energy: 0.8304416931666702
Energy: 0.9661516114886443
Energy: 0.8304416931641528
Energy: 0.9707530618456292
Energy: 0.8359448309026302
Energy: 0.9683960537487247
Energy: 0.8359448309051475
Energy: 0.9444423455715517
Energy: 0.8387701565693114
Energy: 0.9846314975813996
Energy: 0.8387701565680528
Energy: 0.9334350260196416
Energy: 0.8372043234530412
Energy: 1.0165569315315564
Energy: 0.8372043234555584
Energy: 0.9508376126085434
Energy: 0.8379195308594807
Energy: 1.0184638370916679
Energy: 0.8379195308670323
Energy: 0.9789568347238078
Energy: 0.855884847922915
Energy: 0.934703920572834
Energy: 0.8558848479216564
Energy: 0.9314551913889682
Energy: 0.8557604391650073
Energy: 0.9071544903352127
Energy: 0.855760439166266
Energy: 0.928758133183711
Energy: 0.8582167976993894
Energy: 0.9382278843469285
Energy: 0.858216797700648
Energy: 0.9147936593995913
Energy: 0.8905620834578744
Energy: 0.9763388504756098
Energy: 0.890562083459133
Energy: 0.9062388116336271
Energy: 0.8907527871369508
Energy: 1.016312699431813
Energy: 0.8907527871394681
Energy: 0.9484112823276951
Energy: 0.8929486562919051
Energy: 0.9085957755294584
Energy: 0.8929486562919051
Energy: 0.9043401920572484
Energy: 0.9229135360990266
Energy: 0.9210944359024998
Energy: 0.9229135360965094
Energy: 0.9042069507149115
Energy: 0.9235905436621815
Energy: 0.9256551672143686
Energy: 0.9235905436646988
Energy: 0.9485821704612233
Energy: 1.0138298191703208
Energy: 0.9210286340259253
Energy: 1.0138298185249295
Energy: 0.9230064088006737
Energy: 0.9229705529789908
Energy: 0.9256023506837088
Energy: 0.9229705529702089
Energy: 0.9185607097022793
Energy: 0.9241404462310041
Energy: 0.9254545752299994
Energy: 0.9241404462297453
Energy: 0.9215451604022653
Energy: 0.9151308924639281
Energy: 0.9220377935483105
Energy: 0.9151308924891007
Energy: 0.8966062746472029
Energy: 0.9225702030688594
Energy: 0.9229998026069235
Energy: 0.9225702030688594

minimum gb energy = 0.8300397490607548 eV
minimum distance =  2.26430489496001 Angstroms
sigma value = 15


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

Energy: 1.0341749989031264
Energy: 0.9471156603573274
Energy: 1.0347390608210008
Energy: 0.9950500926284545
Energy: 0.8520433093158412
Energy: 0.8562279904853408
Energy: 0.8491881589944348
Energy: 0.8562279904821422
Energy: 0.8629710403341296
Energy: 0.8670562496598925
Energy: 0.8434921972056151
Energy: 0.8670562496609586
Energy: 0.8688933549858161
Energy: 0.8666671411135473
Energy: 0.8909878292206967
Energy: 0.866667141112481
Energy: 0.8736071759277143
Energy: 0.8573046007025147
Energy: 0.8505613244205299
Energy: 0.8573046006737262
Energy: 0.8917670476120654
Energy: 0.8374302210667538
Energy: 0.8476536693982132
Energy: 0.8374302210667538
Energy: 0.8787756179441836
Energy: 0.8378439071209799
Energy: 0.8519453722504533
Energy: 0.8378439071241784
Energy: 0.8746193120850377
Energy: 0.8971204942905354
Energy: 0.8700302412321048
Energy: 0.8971204944045743
Energy: 0.8505025931006458
Energy: 0.805915735643461
Energy: 0.8711086454959286
Energy: 0.8059157356423947
Energy: 0.8548184553499664
Energy: 0.8053573349271202
Energy: 0.9647937759188018
Energy: 0.8053573349324514
Energy: 0.8780772903954467
Energy: 0.877966405431752
Energy: 0.9029320099633131
Energy: 0.8779664054274869
Energy: 0.9775806450110641
Energy: 0.7849808583905032
Energy: 0.8574339674553264
Energy: 0.7849808583862381
Energy: 0.9497030958122248
Energy: 0.7872763718900032
Energy: 0.8647824937005786
Energy: 0.7872763718921356
Energy: 0.916975677440367
Energy: 0.7735844987874346
Energy: 0.8889373423897031
Energy: 0.7735844987863684
Energy: 0.8833039481793041
Energy: 0.7744678228440772
Energy: 0.9546670591537374
Energy: 0.774467822848342
Energy: 0.8867436287632816
Energy: 0.7769239369668341
Energy: 0.9151942360571153
Energy: 0.7769239369625693
Energy: 0.9193372519739494
Energy: 0.779267181023016
Energy: 0.9155825672707059
Energy: 0.7792671810176847
Energy: 0.9129197557452448
Energy: 0.7697056680380678
Energy: 0.9202271228614005
Energy: 0.7697056680380678
Energy: 0.9160766616452456
Energy: 0.7776572536325507
Energy: 0.9188904676206685
Energy: 0.7776572536325507
Energy: 0.9159929344487963
Energy: 0.778358991196108
Energy: 0.8917675869299644
Energy: 0.778358991196108
Energy: 0.9565935954112885
Energy: 0.7740161037253916
Energy: 0.8843320396032666
Energy: 0.7740161037243254
Energy: 0.9557996791730684
Energy: 0.7741642196535133
Energy: 0.9158092166898268
Energy: 0.7741642196545796
Energy: 0.8736084467623129
Energy: 0.7856507079425169
Energy: 0.9098451246425533
Energy: 0.7856507079414506
Energy: 0.8574921636041974
Energy: 0.7847153111154552
Energy: 0.9407609983493419
Energy: 0.784715311118654
Energy: 0.902994646244031
Energy: 0.9159760030365409
Energy: 0.8785806652778876
Energy: 0.9159760030056684
Energy: 0.9034638842185405
Energy: 0.8061395090271578
Energy: 0.8514287299495195
Energy: 0.8061395090271578
Energy: 0.9413244087425666
Energy: 0.8056785695778195
Energy: 0.8497906554062924
Energy: 0.8056785695724883
Energy: 0.8738956853232325
Energy: 0.8958149175873654
Energy: 0.8770509502575748
Energy: 0.8958149175703056
Energy: 0.8476928077490625
Energy: 0.8374132115223535
Energy: 0.8835323809554682
Energy: 0.8374132115223535
Energy: 0.8547318124717211
Energy: 0.8374787278904379
Energy: 0.8824299564949437
Energy: 0.8374787278915041
Energy: 0.8480082831904577
Energy: 0.8789254104344773
Energy: 0.8939971466016748
Energy: 0.878925410451537
Energy: 0.8897745647195591
Energy: 0.8658542651370791
Energy: 0.8614388565098449
Energy: 0.8658542651370791
Energy: 0.8675072101244526
Energy: 0.865779110687784
Energy: 0.8740661363789117
Energy: 0.8657791106707242
Energy: 0.8485510509131753
Energy: 0.8557007028383408
Energy: 0.8688344888095471
Energy: 0.8557007028351421
Energy: 0.994844014983131
Energy: 0.8684552960876916
Energy: 0.8660502076962747
Energy: 0.8684552960866254
Energy: 0.8627534678482827
Energy: 0.8691054696870508
Energy: 0.8486055125467442
Energy: 0.8691054696881171
Energy: 0.8404748940179814
Energy: 0.8681040167380601
Energy: 0.8626079629544671
Energy: 0.8681040167348614

minimum gb energy = 0.7697056680380678 eV
minimum distance =  2.26823044563199 Angstroms
sigma value = 85


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

Energy: 1.106890733436349
Energy: 0.7827663685433033
Energy: 0.8819384118560284
Energy: 0.894929544290732
Energy: 0.7493743290690811
Energy: 0.7600974296353123
Energy: 0.7903202772246912
Energy: 0.760097429639936
Energy: 0.7618193130476596
Energy: 0.7636795406125878
Energy: 0.7941204725718053
Energy: 0.7636795406144372
Energy: 0.7623010861819919
Energy: 0.7637565102763537
Energy: 0.7708765046570784
Energy: 0.7637565102736006
Energy: 0.7898400836140649
Energy: 0.7893088049470637
Energy: 0.7901956753585438
Energy: 0.7893088049091702
Energy: 0.7487138087988545
Energy: 0.7454340485600719
Energy: 0.757968363035217
Energy: 0.7454340485600719
Energy: 0.747630455213991
Energy: 0.7457221295152523
Energy: 0.7581396701723647
Energy: 0.7457221295171018
Energy: 0.8182769385253815
Energy: 0.7910119245979028
Energy: 0.75887232211991
Energy: 0.7910119245979028
Energy: 0.7642058252555043
Energy: 0.7252601206150626
Energy: 0.7570283876758462
Energy: 0.725260120614138
Energy: 0.7641237211051676
Energy: 0.7248357546869336
Energy: 0.7534154061568851
Energy: 0.7248357546878583
Energy: 0.7854457216351803
Energy: 0.8217524116704478
Energy: 0.818339022628048
Energy: 0.8217524116861473
Energy: 0.9406477299975756
Energy: 0.7134662568802757
Energy: 0.780686171151929
Energy: 0.7134662568821251
Energy: 0.8310570018222274
Energy: 0.7148127434812669
Energy: 0.7956630362315004
Energy: 0.7148127434775889
Energy: 0.8301013336481577
Energy: 0.7086899264214609
Energy: 0.8072849652799265
Energy: 0.7086899264242351
Energy: 0.8051189341391153
Energy: 0.7081180984104205
Energy: 0.9064349889657701
Energy: 0.70811809841227
Energy: 0.8176459674085464
Energy: 0.7093718819369411
Energy: 0.8415749660449788
Energy: 0.7093718819378659
Energy: 0.890713000118675
Energy: 0.7072628419704748
Energy: 0.8421015160738242
Energy: 0.7072628419695502
Energy: 0.8911928146654267
Energy: 0.7056708907393898
Energy: 0.8307186349217499
Energy: 0.7056708907403146
Energy: 0.8469210633016364
Energy: 0.7060189844042741
Energy: 0.840061338643899
Energy: 0.7060189844033492
Energy: 0.8467625798542637
Energy: 0.7062547459635062
Energy: 0.8655763307894367
Energy: 0.7062547459653559
Energy: 0.8593864367703332
Energy: 0.7076086143696818
Energy: 0.8600503616459327
Energy: 0.707608614368757
Energy: 0.831550187978992
Energy: 0.705055264443144
Energy: 0.847083423562862
Energy: 0.705055264443144
Energy: 0.8357290325272702
Energy: 0.7058883220768488
Energy: 0.8529996067970441
Energy: 0.7058883220722251
Energy: 0.8318732478966532
Energy: 0.7061513440743781
Energy: 0.8910595651012604
Energy: 0.7061513440771523
Energy: 0.8422483449505793
Energy: 0.8724547957896617
Energy: 0.8224892861012408
Energy: 0.8724547960503148
Energy: 0.9118329738709097
Energy: 0.708513965024911
Energy: 0.8062640210586037
Energy: 0.7085139650230616
Energy: 0.867492167459467
Energy: 0.7085092154541959
Energy: 0.8036478252172602
Energy: 0.7085092154578947
Energy: 0.8059379328625225
Energy: 0.8055128351429123
Energy: 0.8302342760148488
Energy: 0.8055128351429123
Energy: 0.7836819599377579
Energy: 0.7133802000583431
Energy: 0.7715965404925416
Energy: 0.7133802000574184
Energy: 0.7804393141323495
Energy: 0.7144021363639774
Energy: 0.766839035318294
Energy: 0.7144021363639774
Energy: 0.8188715619385452
Energy: 0.7668417376555183
Energy: 0.7670527407383106
Energy: 0.7668417376573679
Energy: 0.8451315118801664
Energy: 0.724374113032086
Energy: 0.7692081124912298
Energy: 0.7243741130348602
Energy: 0.7625267684728533
Energy: 0.726117567781914
Energy: 0.7644088859180647
Energy: 0.7261175677809891
Energy: 0.7585245753223284
Energy: 0.7589114071988167
Energy: 0.8181920946769863
Energy: 0.7589114072043651
Energy: 0.7640527239814361
Energy: 0.7447426308360251
Energy: 0.870058786491543
Energy: 0.7447426308360251
Energy: 0.7589241429082062
Energy: 0.7473878967654964
Energy: 0.7896523833222769
Energy: 0.7473878967664213
Energy: 0.7768684373466508
Energy: 0.792912072539743
Energy: 0.7893759944445747
Energy: 0.7929120725406678
Energy: 0.7746018213875037
Energy: 0.7624194828317523
Energy: 0.7637446224257958
Energy: 0.7624194828336018
Energy: 0.7911691928810496
Energy: 0.7645814668095501
Energy: 0.762104756950722
Energy: 0.7645814668104538
Energy: 0.7902423903156823
Energy: 0.7609901828936173
Energy: 0.8152447619649231
Energy: 0.7609901828908431
Energy: 0.7620246645374206
Energy: 0.7630744277835421
Energy: 0.7801482411569247
Energy: 0.7630744277835421
Energy: 0.7619367589753953
Energy: 0.7634007158234912
Energy: 0.7620204631309301
Energy: 0.7634007158290397
Energy: 0.7874124606365276
Energy: 0.7627094808226951
Energy: 0.7620792933093145
Energy: 0.7627094808217704

minimum gb energy = 0.705055264443144 eV
minimum distance =  2.26974217110108 Angstroms
sigma value = 113


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

Energy: 0.014418336013309002
Energy: 0.014553038643983746
Energy: 0.8613576609709571
Energy: 0.10389731538047388
Energy: 0.015225562140144309
Energy: 0.10489527102273574
Energy: 0.09389607707878024
Energy: 0.10489527102135343
Energy: 0.09047425913188539
Energy: 0.10476031164872641
Energy: 0.015066831312169869
Energy: 0.10476031165496653
Energy: 0.09021204014666566
Energy: 0.10597130465706585
Energy: 0.0165714511448432
Energy: 0.10597130465706585
Energy: 0.09191365322090661
Energy: 0.10394407348998279
Energy: 0.0916448498487914
Energy: 0.10394407348721817
Energy: 0.01511327318327022
Energy: 0.10539278595897544
Energy: 0.09014068645747185
Energy: 0.10539278595826455

minimum gb energy = 0.014418336013309002 eV
minimum distance =  2.44469874594033 Angstroms
sigma value = 1