Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839400052
mass=58.6934
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=[3.17466493497198e-19, 4.1841964320553797e-19, 4.93795645128702e-19, 5.548081335280559e-19, 6.0612585111507595e-19, 6.50240182555632e-19, 6.886683891221219e-19, 7.224246486238679e-19, 7.52225134016268e-19, 7.786001657651759e-19, 8.019599010888959e-19, 8.22624775314228e-19, 8.408559432325139e-19, 8.56869698689344e-19, 8.70843883291092e-19, 8.82930703817988e-19, 8.932631409306539e-19, 9.019533469934699e-19, 9.09100656957744e-19, 9.14791588361712e-19, 9.19107852213708e-19, 9.22115137755726e-19, 9.2387913422976e-19, 9.24455917818e-19, 9.23834273284008e-19, 9.218155307251679e-19, 9.181401375267718e-19, 9.12498873598458e-19, 9.0451682960787e-19, 8.93745396097488e-19, 8.796382308351179e-19, 8.61527226164382e-19, 8.38600078531842e-19, 8.09845814481444e-19, 7.74013134062034e-19, 7.2953510852556e-19, 6.744362540823e-19, 6.061931425337039e-19, 5.2156457054919e-19, 4.1633040487480194e-19, 2.8494070565036395e-19, 1.199791574547534e-19, -8.859588176562479e-20, -3.5464340011253396e-19, -6.97626158682816e-19, -1.1455482824268298e-18, -1.73969145449622e-18, -2.5428465793540796e-18, -3.6539240315004e-18, -5.2355767828188596e-18, -7.56973985559444e-18, -1.117848250601604e-17, -1.71147712397148e-17, -2.77626769316154e-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: 0.018953245834706874
Energy: 0.16762783157317798
Energy: 1.1811790531471176
Energy: 0.019721771231541244
Energy: 0.16762783157317798
Energy: 1.238011382053402
Energy: 0.019721771231541244
Energy: 1.238011382053402
Energy: 1.1811790531471176
Energy: 0.019721771231541244
Energy: 0.018953245834706874
Energy: 0.16762783157317798
Energy: 0.019721771231541244
Energy: 1.2380113820528975
Energy: 0.16762783157267352
Energy: 1.2380113820502863

minimum gb energy = 0.018953245834706874 eV
minimum distance =  2.73004427120939 Angstroms
sigma value = 1


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

Energy: 2.188597612811814
Energy: 1.5471960917801908
Energy: 1.538779599592073
Energy: 1.4275982623942998
Energy: 1.7257636694499445
Energy: 1.7935676737759905
Energy: 1.6255227089064521
Energy: 1.793567673785707
Energy: 1.5373605761806377
Energy: 1.547705094826394
Energy: 2.370119635548513
Energy: 1.5477050948250985
Energy: 1.5987911701475988
Energy: 2.2005198366139163
Energy: 1.6669051198461866
Energy: 2.2005198366139163
Energy: 2.0391514924154253
Energy: 1.5874566490180435
Energy: 1.5234498593135262
Energy: 1.5874566490167479
Energy: 1.6278092924711436
Energy: 2.1790408064177127
Energy: 1.4571123973879274
Energy: 2.1790408064183606
Energy: 1.6285686857656303
Energy: 1.7340332059569536
Energy: 2.037967643629032
Energy: 1.7340332059576014
Energy: 1.4993474170153738
Energy: 1.926035867130083
Energy: 1.6304778079624076
Energy: 1.926035867130083
Energy: 1.7611145435983941
Energy: 1.7326639745069474
Energy: 1.8374447964450227
Energy: 1.7326639745069474
Energy: 1.5221859129930206
Energy: 2.115435935086127
Energy: 1.4998520409554688
Energy: 2.1154359350867744
Energy: 1.8886939773556852
Energy: 1.7402546324864343
Energy: 1.762286436556848
Energy: 1.740254632487082
Energy: 1.4949752563607954
Energy: 2.1410965267172744
Energy: 1.5351789587048894
Energy: 2.1410965267172744
Energy: 1.547363572670458
Energy: 1.7334468492889878
Energy: 2.1923239802657233
Energy: 1.73344684928834
Energy: 1.7221384182131705
Energy: 2.1502097002038862
Energy: 1.5044637772781706
Energy: 2.1502097002045337
Energy: 2.191382810330305
Energy: 1.5882862574130308
Energy: 1.446098050546484
Energy: 1.5882862574143262
Energy: 1.477712464576216
Energy: 1.7954206406297941
Energy: 1.6672326305385265
Energy: 1.7954206406297941
Energy: 1.625777184102188
Energy: 1.5456559171891424
Energy: 2.5513116653901378
Energy: 1.545655917188495
Energy: 1.6260294856786837
Energy: 1.5186575240478175
Energy: 1.6720316825511725
Energy: 1.5186575240471698
Energy: 2.371877976310188
Energy: 1.5367995495099112
Energy: 1.5422850247088302
Energy: 1.536799549510559
Energy: 1.7561747831401775
Energy: 1.7930201785609419
Energy: 1.5988088425205655
Energy: 1.793020178562885
Energy: 1.614488404339476
Energy: 1.5952915096535583
Energy: 2.0386430929169155
Energy: 1.5952915096529106
Energy: 1.4565846210997357
Energy: 2.173695766732479
Energy: 1.6278563428357442
Energy: 2.173695766733127
Energy: 2.0384321459296655
Energy: 1.658360010951232
Energy: 1.6989615713113817
Energy: 1.658360010951232
Energy: 1.623518308028796
Energy: 1.7064279088841656
Energy: 1.5454840238669862
Energy: 1.7064279088841656
Energy: 1.9047874516449326
Energy: 1.7445314385699833
Energy: 1.7614265295122447
Energy: 1.744531438570631
Energy: 1.5625942246211388
Energy: 2.114607736160438
Energy: 1.5245665541826483
Energy: 2.114607736159849
Energy: 1.7615955982988618
Energy: 1.7373599967909308
Energy: 1.9587301063028184
Energy: 1.7373599967915785
Energy: 1.5317995461868699
Energy: 2.1420868399147643
Energy: 1.5108664881045648
Energy: 2.1420868399141164
Energy: 2.2619976040287435
Energy: 1.7413404763982834
Energy: 1.5464871211979616
Energy: 1.7413404763982834
Energy: 1.5296917330150337
Energy: 1.7215052333056418
Energy: 1.7213863902742892
Energy: 1.7215052332959249
Energy: 1.5562604595570322
Energy: 1.586734353654134
Energy: 2.2612336342276023
Energy: 1.586734353654134
Energy: 1.6676563349825604
Energy: 1.4975819887891513
Energy: 1.5376153530983394
Energy: 1.4975819887885036
Energy: 2.627728669825489
Energy: 1.4980468795221338
Energy: 1.626630039660216
Energy: 1.4980468795143604

minimum gb energy = 1.4275982623942998 eV
minimum distance =  2.47300515549658 Angstroms
sigma value = 1


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

Energy: 2.4639930025607564
Energy: 1.631441741107555
Energy: 1.6214301676123823
Energy: 1.5000524936537214
Energy: 1.811477842213647
Energy: 2.3058534461805924
Energy: 1.7224138671452027
Energy: 2.3058534461798543
Energy: 1.6252919667124648
Energy: 1.6221162318325526
Energy: 2.2696956574703395
Energy: 1.6221162318347684
Energy: 1.6964029350954122
Energy: 1.831867571227251
Energy: 1.7745132743630059
Energy: 1.8318675712338983
Energy: 2.2704815074139773
Energy: 1.6747184459178948
Energy: 1.5053653917954941
Energy: 1.6747184459171565
Energy: 1.724650746033849
Energy: 2.024970538965087
Energy: 1.5311762825938782
Energy: 2.0249705389673025
Energy: 1.7406667095154882
Energy: 1.7561008386457557
Energy: 1.9166929179124625
Energy: 1.7561008386450172
Energy: 1.5754273974748474
Energy: 2.188150513466382
Energy: 1.727411399622627
Energy: 2.1881505134656427
Energy: 1.9179466121169584
Energy: 1.8355584985633655
Energy: 1.7634564051516113
Energy: 1.8355584985626272
Energy: 1.6157596706860167
Energy: 2.1783089622893597
Energy: 1.5975461827129125
Energy: 2.1783089622908367
Energy: 2.076873213048359
Energy: 1.8308788968188068
Energy: 1.6499347396212707
Energy: 1.8308788968188068
Energy: 1.5875125229174551
Energy: 2.1640739547529013
Energy: 1.8378897510477146
Energy: 2.1640739547551173
Energy: 1.50736805014118
Energy: 1.665073069921725
Energy: 2.0751342296265705
Energy: 1.6650730699202478
Energy: 1.774168485009963
Energy: 1.6004525936135625
Energy: 1.55195109537495
Energy: 1.6004525936120855
Energy: 2.466610099167234
Energy: 1.629281883871024
Energy: 1.7235809436130363
Energy: 1.6292818838702854
Energy: 1.775265803500767
Energy: 1.6015059564484806
Energy: 1.7219864437094936
Energy: 1.6015059564455265
Energy: 1.6252923220703923
Energy: 1.6222093280244998
Energy: 2.2727337766300666
Energy: 1.622209328025977
Energy: 1.6977075656501777
Energy: 1.8322226480700257
Energy: 1.7658787700877616
Energy: 1.8322226480870134
Energy: 2.270661592931022
Energy: 1.6816033421180254
Energy: 1.7183662840922231
Energy: 1.6816033421158096
Energy: 1.7252325902726382
Energy: 2.0256907519293312
Energy: 1.5305885359902072
Energy: 2.0256907519300698
Energy: 1.8209370459677
Energy: 1.756384799829152
Energy: 1.9171658985987226
Energy: 1.756384799830629
Energy: 1.6424292686088857
Energy: 2.1876944961154883
Energy: 1.6144929815994298
Energy: 2.1876944961169653
Energy: 1.9178373207142567
Energy: 1.8523807864029063
Energy: 1.8670715927422432
Energy: 1.8523807864021675
Energy: 1.615189771116349
Energy: 2.178570430102817
Energy: 1.6598062369460196
Energy: 2.17857043010134
Energy: 2.159025305054085
Energy: 1.8584938095020211
Energy: 1.6488802173536612
Energy: 1.8584938095012824
Energy: 1.587711696176607
Energy: 1.830829513631459
Energy: 1.6608224654623807
Energy: 1.830829513632936
Energy: 1.5205078193645736
Energy: 1.6653017938568604
Energy: 2.1796260017911653
Energy: 1.6653017938575987
Energy: 1.7737486467862507
Energy: 1.5698314269113054
Energy: 1.6186480260285707
Energy: 1.5698314269127824
Energy: 2.4737659746863385
Energy: 1.595366266905272
Energy: 1.7249810038958184
Energy: 1.5953662669074875

minimum gb energy = 1.5000524936537214 eV
minimum distance =  2.48463055174768 Angstroms
sigma value = 25


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

Energy: 2.3386630493144773
Energy: 1.7178134281851654
Energy: 1.7170794578190354
Energy: 1.5525413583511023
Energy: 1.8569783385094694
Energy: 2.0634570865099033
Energy: 1.8331471702153805
Energy: 2.06345708512477
Energy: 1.7130064784856223
Energy: 1.7179325135636416
Energy: 2.1313964140980723
Energy: 1.7179325135645003
Energy: 1.7239956281725242
Energy: 1.8700095763433016
Energy: 1.9031505685871282
Energy: 1.8700095763416233
Energy: 2.1312886066225305
Energy: 1.761681522725302
Energy: 1.5864417987386026
Energy: 1.7616815227261604
Energy: 1.8395621572954455
Energy: 2.3154488628021745
Energy: 1.6132225444348327
Energy: 2.3154488628021745
Energy: 1.7759963573165107
Energy: 1.8723650423195488
Energy: 1.7748255749454007
Energy: 1.8723650423195488
Energy: 1.6908396826652585
Energy: 2.235025066140108
Energy: 1.7131976192189773
Energy: 2.2350250661392495
Energy: 1.7751630187050538
Energy: 1.9670335428820276
Energy: 1.9239481559814853
Energy: 1.967033542882886
Energy: 1.7710786657806297
Energy: 2.1787154463477165
Energy: 1.6897846487623271
Energy: 2.1787154463477165
Energy: 2.346123406952365
Energy: 1.7613913113600208
Energy: 1.5848753149703643
Energy: 1.7613913113600208
Energy: 1.7098224666316093
Energy: 1.693072849108589
Energy: 1.8182340025577857
Energy: 1.6930728491094476
Energy: 1.7126312089268445
Energy: 1.7129689011916704
Energy: 2.3425439542452935
Energy: 1.7129689011916704
Energy: 1.8567744625669298
Energy: 1.683332196267327
Energy: 1.8929194001557528
Energy: 1.683332196267327
Energy: 2.1759142248190884
Energy: 1.7169651994226196
Energy: 1.718233364566953
Energy: 1.7169651994243367
Energy: 1.888282396167753
Energy: 1.870126787363144
Energy: 1.7235572236699128
Energy: 1.870126787364861
Energy: 1.694324268450343
Energy: 1.7618860960759706
Energy: 2.131222100895038
Energy: 1.7618860960759706
Energy: 1.6189436815952323
Energy: 2.2882972608513206
Energy: 1.8393950505612642
Energy: 2.2882972608513206
Energy: 1.774652188167524
Energy: 1.8841054741542702
Energy: 1.978147819401581
Energy: 1.8841054741542702
Energy: 1.714502557747675
Energy: 2.236575853762281
Energy: 1.7120746877357826
Energy: 2.236575853762281
Energy: 2.0241801181365977
Energy: 1.9814108440446
Energy: 1.7747711468106366
Energy: 1.9814108440446
Energy: 1.9037776724356508
Energy: 2.0192148891977872
Energy: 1.758747298053504
Energy: 2.019214889196929
Energy: 1.6015837318298587
Energy: 1.769791598387454
Energy: 2.4442011552329115
Energy: 1.769791598386595
Energy: 1.9035655420652466
Energy: 1.6583560823392722
Energy: 1.7098207010427016
Energy: 1.6583560823401309
Energy: 2.482041877074875
Energy: 1.6698819377784548
Energy: 1.7298084921995582
Energy: 1.6698819377767375

minimum gb energy = 1.5525413583511023 eV
minimum distance =  2.48669102266544 Angstroms
sigma value = 9


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

Energy: 2.326836467650689
Energy: 1.8384662286012499
Energy: 1.8387597597509169
Energy: 1.7223824580955402
Energy: 2.011897306580188
Energy: 2.4154692918393823
Energy: 2.03977865446481
Energy: 2.4154692918393823
Energy: 1.8992295272609103
Energy: 1.848265319083087
Energy: 2.6767405139396168
Energy: 1.848265319083087
Energy: 1.8142598172179676
Energy: 2.439216435683503
Energy: 2.027291823978534
Energy: 2.439216435683503
Energy: 2.0507332878494604
Energy: 1.8499472260737768
Energy: 1.768698482692043
Energy: 1.8499472260727525
Energy: 2.0057774428256616
Energy: 2.3993800403593912
Energy: 1.7844774889568542
Energy: 2.3993800403604153
Energy: 1.8417642133217635
Energy: 2.004096785577184
Energy: 2.0123075825060917
Energy: 2.004096785578208
Energy: 1.8412689516378962
Energy: 2.278194860180854
Energy: 1.8911994116349498
Energy: 2.2781948601818787
Energy: 1.8064749499982984
Energy: 2.1226279656069043
Energy: 2.330147527826992
Energy: 2.1226279656069043
Energy: 1.9368339956658889
Energy: 2.404595566851232
Energy: 1.9045132188710696
Energy: 2.404595566851232
Energy: 2.1503601649880912
Energy: 1.6348047494931892
Energy: 1.6344813442367463
Energy: 1.6348047494942135
Energy: 1.9292678726081107
Energy: 1.6075982523294015
Energy: 1.903553999846192
Energy: 1.607598252328377
Energy: 2.0060318366252363
Energy: 1.9900312603905423
Energy: 2.678895288812366
Energy: 1.9900312603905423
Energy: 1.9694172065177498
Energy: 2.399458330040399
Energy: 2.120354778709406
Energy: 2.399458330040399
Energy: 2.0522977423058357
Energy: 1.8304647084908474
Energy: 1.7368475054600885
Energy: 1.8304647084898698
Energy: 1.9330563937756449
Energy: 2.233289718468082
Energy: 1.7554846653886083
Energy: 2.233289718468082
Energy: 2.0584816125181753
Energy: 2.0612964943693504
Energy: 2.0002687776918133
Energy: 2.0612964943693504
Energy: 1.9605459467908068
Energy: 2.1445148389799
Energy: 1.9487772829432441
Energy: 2.1445148389799
Energy: 1.7627564499590282
Energy: 1.9471451128371469
Energy: 2.4636075599755336
Energy: 1.9471451128371469
Energy: 1.8804809672594724
Energy: 1.8106260651669344
Energy: 1.8336369291863772
Energy: 1.8106260651669344
Energy: 2.53477567635018
Energy: 1.838550502537731
Energy: 1.8634477317151297
Energy: 1.838550502537731

minimum gb energy = 1.607598252328377 eV
minimum distance =  2.51616966418592 Angstroms
sigma value = 25


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

Energy: 1.8773556610715327
Energy: 1.8998289803128914
Energy: 1.8981452477620928
Energy: 1.6635769992313911
Energy: 1.9064787680681758
Energy: 2.5124491052932347
Energy: 2.0917272517728533
Energy: 2.5124491052932347
Energy: 1.8976828362290377
Energy: 1.898101526975563
Energy: 2.27126007232141
Energy: 1.8981015269768298
Energy: 1.8991527154685515
Energy: 2.555646381095443
Energy: 2.0920443656929963
Energy: 2.5556463810941765
Energy: 1.8296559645117616
Energy: 1.9611112324158075
Energy: 1.7664688086865423
Energy: 1.961111232417074
Energy: 2.0528250809239785
Energy: 2.230611152300661
Energy: 1.9520947324109699
Energy: 2.230611152300661
Energy: 1.8804548380276496
Energy: 1.8915941061708845
Energy: 1.7628005344619069
Energy: 1.8915941061708845
Energy: 2.0377794503810187
Energy: 2.3820608272521526
Energy: 1.8723962962896568
Energy: 2.3820608198315956
Energy: 1.89657651628461
Energy: 1.897058043991584
Energy: 2.669090676163497
Energy: 1.897058043991584
Energy: 1.9083573582166597
Energy: 2.5145050856377003
Energy: 2.0467817192939024
Energy: 2.5145050856377003
Energy: 2.27238774977134
Energy: 1.898508855536013
Energy: 1.9078361266316883
Energy: 1.8985088555372798
Energy: 2.1183741085276426
Energy: 2.0948549062148833
Energy: 1.8988259901657074
Energy: 2.094854906213617
Energy: 1.869212718017579
Energy: 1.9591432105060178
Energy: 1.7844015686135744
Energy: 1.9591432105010087
Energy: 1.7910307726822812
Energy: 1.954852010472378
Energy: 2.054334893050686
Energy: 1.954852010472378
Energy: 1.7612720372219741
Energy: 1.8910129802447568
Energy: 1.9514469611281904
Energy: 1.8910129802447568
Energy: 1.8691129226125733
Energy: 2.3813042906173134
Energy: 1.9514459118229044
Energy: 2.3813042906173134
Energy: 2.5085429745590075
Energy: 1.8989778038391574
Energy: 1.8958463812515318
Energy: 1.8989778038391574

minimum gb energy = 1.6635769992313911 eV
minimum distance =  2.54445339357193 Angstroms
sigma value = 17


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

Energy: 2.5469007230411798
Energy: 2.140332987203494
Energy: 2.1544742735000595
Energy: 1.9516154012422282
Energy: 2.3204229846137165
Energy: 2.548765849870004
Energy: 2.2165929966393154
Energy: 2.548765849870004
Energy: 1.807114548687995
Energy: 1.8072939991204064
Energy: 2.326341383671408
Energy: 1.8072939991204064
Energy: 1.8511229894883434
Energy: 2.3648958833826663
Energy: 2.208493313909711
Energy: 2.364895883383384
Energy: 1.9548338098381937
Energy: 2.1577677590652544
Energy: 1.831121534537584
Energy: 2.1577677590652544
Energy: 2.1897728598708106
Energy: 2.549922063512164
Energy: 2.087414825378432
Energy: 2.549922063511447
Energy: 2.1443604266864575
Energy: 2.0039298835306947
Energy: 1.8063614697042252
Energy: 2.0039298835321295
Energy: 2.3179769424588303
Energy: 2.619338417623896
Energy: 2.057769704859988
Energy: 2.619338417623896
Energy: 2.1077032673794753
Energy: 2.1002225352754156
Energy: 2.3652956554718823
Energy: 2.1002225352754156
Energy: 2.0998118008971223
Energy: 2.359124454742837
Energy: 2.2343248594353833
Energy: 2.35912445474212
Energy: 1.982998117439937
Energy: 2.062780293552833
Energy: 1.9772843150205424
Energy: 2.0627802935513984
Energy: 2.209194811802106
Energy: 1.9475839347642223
Energy: 1.7479361852455018
Energy: 1.9475839347649397
Energy: 2.304569158535424
Energy: 1.9484078452814557
Energy: 1.7380833639549405
Energy: 1.9484078452814557
Energy: 2.1035461436333356
Energy: 2.455048018991766
Energy: 1.8481553135853797
Energy: 2.4550480189903316
Energy: 2.099853862263884
Energy: 2.4123160765659066
Energy: 2.6139468219629163
Energy: 2.4123160765651894
Energy: 2.218164962291655
Energy: 2.22493887852981
Energy: 2.549276209399086
Energy: 2.22493887852981
Energy: 2.3675457254004812
Energy: 2.4117141140057234
Energy: 2.090032093023437
Energy: 2.4117141140042886
Energy: 2.3282466845284464
Energy: 1.9537032859902075
Energy: 1.807252725198042
Energy: 1.9537032859902075
Energy: 2.190106481081748
Energy: 2.486526394336704
Energy: 1.9929936278561973
Energy: 2.486526394336704
Energy: 1.7980408871264513
Energy: 2.190991984971754
Energy: 2.200046725100798
Energy: 2.1909919849724715
Energy: 1.820615922245312
Energy: 2.3697230333828276
Energy: 2.1918600636774985
Energy: 2.369723033383545
Energy: 1.9384641705026855
Energy: 1.8248802162410864
Energy: 2.1016758807169325
Energy: 1.8248802162410864
Energy: 2.202003641769872
Energy: 2.5499023536421577
Energy: 2.218437910708724
Energy: 2.5499023536421577
Energy: 2.3278605933741514
Energy: 2.099685652558149
Energy: 2.0997533397882524
Energy: 2.099685652558149
Energy: 2.065769057186496
Energy: 2.3506572080640438
Energy: 2.0239195934756147
Energy: 2.3506572080604564
Energy: 1.7377712711414819
Energy: 1.94907599926743
Energy: 1.9513438397099836
Energy: 1.9490759992667124
Energy: 1.9511658224168942
Energy: 2.544566543930873
Energy: 2.201300883545302
Energy: 2.544566543930873
Energy: 1.7367370934726019
Energy: 1.9195829071740758
Energy: 2.107808091479394
Energy: 1.9195829071740758
Energy: 2.080848152562473
Energy: 2.5227111099330672
Energy: 2.076896997963962
Energy: 2.5227111099330672
Energy: 2.5491851762815516
Energy: 2.099808977561634
Energy: 2.1492641727079618
Energy: 2.099808977560917

minimum gb energy = 1.7367370934726019 eV
minimum distance =  2.53202457292956 Angstroms
sigma value = 53


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

Energy: 2.264640335603174
Energy: 1.999507182545675
Energy: 2.0702714230334323
Energy: 1.6117295506242413
Energy: 1.9324880686859303
Energy: 2.3706238596476865
Energy: 1.955969852068501
Energy: 2.3706238596476865
Energy: 1.9985233349658424
Energy: 2.0003321022692506
Energy: 1.915563283266051
Energy: 2.000332102267599
Energy: 1.9890971214619408
Energy: 2.49718567649696
Energy: 1.95546211414731
Energy: 2.497185676498612
Energy: 1.924891486264662
Energy: 2.082828960540411
Energy: 1.5709962851212351
Energy: 2.082828960551972
Energy: 2.050871077405398
Energy: 2.2278721951964777
Energy: 1.6512379843907299
Energy: 2.2278721951964777
Energy: 2.2695517760561463
Energy: 1.9997347739718088
Energy: 2.0673440565793344
Energy: 1.9997347739718088
Energy: 2.3904822490045086
Energy: 2.374611152122186
Energy: 2.002832151698081
Energy: 2.3746111521238
Energy: 1.9998932717098366
Energy: 2.4084531628712558
Energy: 1.9178364143733457
Energy: 2.4084531628712558
Energy: 1.9302534902721442
Energy: 1.9768207491656138
Energy: 1.954138539816609
Energy: 1.9768207491672654
Energy: 1.9231108999108601
Energy: 1.820491768952856
Energy: 1.6502848673607404
Energy: 1.820491768952856
Energy: 1.9495269077143325
Energy: 2.334879272836936
Energy: 1.5709158624754853
Energy: 2.3348792728352845
Energy: 2.3506889241072937
Energy: 1.979702928449914
Energy: 1.9991570170255304
Energy: 1.979702929938912

minimum gb energy = 1.5709158624754853 eV
minimum distance =  2.45452729260794 Angstroms
sigma value = 9


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

Energy: 2.1871643009225186
Energy: 2.3115502322764874
Energy: 2.336316604846103
Energy: 2.1619850343836546
Energy: 2.377449244365615
Energy: 2.60445704635549
Energy: 2.5513831972804084
Energy: 2.60445704635549
Energy: 1.7718040924708822
Energy: 2.110576406660861
Energy: 2.0522459747259374
Energy: 2.1105764066596384
Energy: 1.8324254781249165
Energy: 2.164764378130145
Energy: 2.508643604505086
Energy: 2.1647643781295334
Energy: 1.7753900749533391
Energy: 2.1041261612121067
Energy: 2.1944792340513466
Energy: 2.1041261612121067
Energy: 1.9020545626700023
Energy: 2.4581256738501467
Energy: 2.327513900249939
Energy: 2.458125673849535
Energy: 2.485075117703208
Energy: 2.3921330485122034
Energy: 2.388139296740044
Energy: 2.3921330485122034
Energy: 2.5853225041622694
Energy: 2.361288010183676
Energy: 2.293892097959555
Energy: 2.361288010183676
Energy: 2.0160178370138917
Energy: 2.255764218186668
Energy: 1.8211247268158992
Energy: 2.2557642181872795
Energy: 1.70499643486435
Energy: 1.9764375279816424
Energy: 2.229870879417983
Energy: 1.9764375274946935
Energy: 1.9852867979005067
Energy: 2.1464848359821453
Energy: 2.8431553114019925
Energy: 2.146484835981534
Energy: 2.082589076250755
Energy: 2.11972546657551
Energy: 2.192183348681698
Energy: 2.1197254665712317
Energy: 2.527284902449867
Energy: 2.445806212715754
Energy: 2.2435170057058627
Energy: 2.445806212715143
Energy: 2.4890079258932807
Energy: 2.186439951853421
Energy: 2.0094403855830354
Energy: 2.186439951855255
Energy: 2.414599771708481
Energy: 2.3851588365686425
Energy: 1.8767861706456839
Energy: 2.3851588365686425
Energy: 1.9184046550110385
Energy: 2.2623756407336164
Energy: 1.8020175331283128
Energy: 2.2623756407342275
Energy: 2.2491175951825353
Energy: 2.211808077511943
Energy: 2.225953073160841
Energy: 2.211808077511943
Energy: 2.3093633400143934
Energy: 2.3056688975501145
Energy: 2.1863109812698216
Energy: 2.3056688975519477
Energy: 2.452028739354438
Energy: 2.5655704763183556
Energy: 2.2348404572880707
Energy: 2.5655704763183556
Energy: 2.050926569236624
Energy: 2.102702269313647
Energy: 1.7719748305023755
Energy: 2.1027022688713197
Energy: 2.540059893186219
Energy: 2.161631682322359
Energy: 1.79453335835876
Energy: 2.1616316823235815
Energy: 2.326762361951043
Energy: 1.8111959701674964
Energy: 1.7734555701600834
Energy: 1.8111959701674964
Energy: 2.2063921905122186
Energy: 2.6396939073886494
Energy: 1.9022011218104538
Energy: 2.639693907389872
Energy: 2.3877845549463887
Energy: 2.3929687145136085
Energy: 2.4877583313679033
Energy: 2.392968714511775
Energy: 2.2929362989189883
Energy: 2.362019147547752
Energy: 2.5597284760901826
Energy: 2.362019147543473
Energy: 1.8239613392742067
Energy: 2.4931342739954356
Energy: 2.084558547731024
Energy: 2.4931342739960467
Energy: 2.228410967410477
Energy: 1.9774979661360212
Energy: 1.7052202362682893
Energy: 1.97749796613541
Energy: 2.4975815964083434
Energy: 2.145495585876006
Energy: 1.9864393312217319
Energy: 2.1454955858766174
Energy: 2.1886853261769663
Energy: 2.1219266229997618
Energy: 2.0126149564221776
Energy: 2.1219266229685876
Energy: 2.243135592242003
Energy: 2.3747778832459434
Energy: 2.5289105244518
Energy: 2.3747778832465554
Energy: 2.011279528996328
Energy: 2.044053038611664
Energy: 2.0563878496024004
Energy: 2.0440530386122746
Energy: 2.0202631012452867
Energy: 2.519619041774769
Energy: 2.491149421010426
Energy: 2.5196190417753805
Energy: 1.8021014973533789
Energy: 2.1491700176707553
Energy: 1.9227432090078538
Energy: 2.149170017651806
Energy: 2.225701329591065
Energy: 2.210445714979516
Energy: 2.1586268891836475
Energy: 2.210445714980127
Energy: 2.1886006784035996
Energy: 2.287146946046251
Energy: 2.312593024121816
Energy: 2.287146946038305

minimum gb energy = 1.70499643486435 eV
minimum distance =  2.46480192468791 Angstroms
sigma value = 73


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

Energy: 2.293517960259608
Energy: 2.2964348507712087
Energy: 2.2753712962024353
Energy: 2.1570219120126075
Energy: 2.2351473534287734
Energy: 2.0813183423350616
Energy: 2.6751665572871226
Energy: 2.0813183423244377
Energy: 1.9876800737889717
Energy: 2.2364032766330175
Energy: 1.9725662194095357
Energy: 2.2364032766330175
Energy: 1.8427062100415552
Energy: 1.9780930913986545
Energy: 2.475128650041958
Energy: 1.9780930914355073
Energy: 1.866013764713938
Energy: 2.286238930602218
Energy: 2.3063662601854586
Energy: 2.286238930601248
Energy: 2.1850289869631188
Energy: 2.3773185418139846
Energy: 2.3122828726382543
Energy: 2.3773185418149545
Energy: 2.7655477805492077
Energy: 2.597584330913426
Energy: 2.3364686118195443
Energy: 2.5975843309124564
Energy: 2.583422530262802
Energy: 2.292913145857456
Energy: 2.266101272875409
Energy: 2.292913145857456
Energy: 2.328429458315016
Energy: 2.2831146481897235
Energy: 2.044396336705899
Energy: 2.2831146481897235
Energy: 1.7749873393990818
Energy: 2.1439054232136114
Energy: 2.258566504893102
Energy: 2.1439054232136114
Energy: 2.064914040255375
Energy: 2.180992887393098
Energy: 2.7437792472471743
Energy: 2.180992887393098
Energy: 2.125499010878861
Energy: 2.0543703482197917
Energy: 2.0658637920013336
Energy: 2.054370348221731
Energy: 2.1346978159096643
Energy: 2.31296948625974
Energy: 2.1034997577040926
Energy: 2.31296948625974
Energy: 1.9710172389947824
Energy: 2.255764087862193
Energy: 1.9852420299285318
Energy: 2.2557640878612237
Energy: 2.4635303230662924
Energy: 2.4348089655837195
Energy: 1.861447980229487
Energy: 2.4348089655837195
Energy: 2.304592083191844
Energy: 2.3205257640520607
Energy: 1.8839071949784578
Energy: 2.320525764051091
Energy: 2.39875532740561
Energy: 2.402937939992814
Energy: 2.19726569284725
Energy: 2.402937939992814
Energy: 2.343672213047835
Energy: 2.2346510790428322
Energy: 2.757066607017806
Energy: 2.2346510790360434
Energy: 2.198299188551779
Energy: 2.0538925074641265
Energy: 2.5305127754660153
Energy: 2.0538925074650964
Energy: 1.9110905170626247
Energy: 2.1973418411871872
Energy: 1.9646722936686873
Energy: 2.197341841186218
Energy: 2.007175726510542
Energy: 2.4583416716697397
Energy: 1.8088559955263919
Energy: 2.458341671670709
Energy: 2.2953402969335412
Energy: 2.394911010877001
Energy: 2.2150713091515426
Energy: 2.3949110108779714

minimum gb energy = 1.7749873393990818 eV
minimum distance =  2.43210386046705 Angstroms
sigma value = 7


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

Energy: 2.615668429067307
Energy: 2.36935116723071
Energy: 2.3398559056094888
Energy: 2.1994118321126073
Energy: 2.28785122263196
Energy: 2.201597436495922
Energy: 2.5336588325667413
Energy: 2.201597436495922
Energy: 1.7831509077255097
Energy: 2.3534094011617372
Energy: 1.8282520131915678
Energy: 2.3534094011583084
Energy: 1.7663976482312762
Energy: 2.167241569066546
Energy: 2.237113359025185
Energy: 2.1672415690658604
Energy: 2.0045235477214995
Energy: 2.2078042994495366
Energy: 1.9629731980906795
Energy: 2.2078042994495366
Energy: 2.043963415902446
Energy: 2.463298147319027
Energy: 1.9628903353059957
Energy: 2.4632981473162845
Energy: 2.2949871913641116
Energy: 2.4194607956174408
Energy: 2.044404964599389
Energy: 2.4194607956201835
Energy: 2.3392554239585515
Energy: 2.0216094790765204
Energy: 2.0324132502844985
Energy: 2.021609479077206
Energy: 2.36275323954223
Energy: 1.7770279747290232
Energy: 1.7888449107386082
Energy: 1.7770279747255944
Energy: 1.9652871043355267
Energy: 2.4160632563811775
Energy: 1.9308946452590117
Energy: 2.416063256381863
Energy: 2.3701161378345352
Energy: 2.3029805781653216
Energy: 2.6615715435737433
Energy: 2.3029805781653216
Energy: 2.324283579279858
Energy: 2.372396408804008
Energy: 2.2927734225113388
Energy: 2.372396408806066
Energy: 1.9368904313819113
Energy: 2.086783312574375
Energy: 2.159897477619615
Energy: 2.0867833125723174
Energy: 1.8310429389795633
Energy: 2.1656037094082805
Energy: 1.7190115695720622
Energy: 2.165603709409652
Energy: 2.2474900808397216
Energy: 1.9935227794369323
Energy: 1.7712352075565883
Energy: 1.9935227794341894
Energy: 2.621469284747984
Energy: 2.4571914773024197
Energy: 2.311732532177976
Energy: 2.457191477301734
Energy: 2.6454186004354314
Energy: 2.202028833064722
Energy: 2.4733053856918246
Energy: 2.2020288330832374
Energy: 1.7842897496055634
Energy: 2.351271561919347
Energy: 1.8255300854072973
Energy: 2.351271561915919
Energy: 1.745053881094749
Energy: 1.7751751782846832
Energy: 2.3536453718256336
Energy: 1.7751751782839973
Energy: 2.018216299421096
Energy: 1.9797209748124027
Energy: 2.6717495339246446
Energy: 1.9797209748130884
Energy: 2.0382352859754516
Energy: 2.4895973718364743
Energy: 1.9709875525357505
Energy: 2.4895973720386486
Energy: 2.280059380541555
Energy: 2.4654179974356145
Energy: 2.2526960390869686
Energy: 2.465417997439729
Energy: 2.278609031094298
Energy: 2.0977843845291204
Energy: 2.063860383654333
Energy: 2.097784384527063
Energy: 2.364307507361022
Energy: 2.2648552251288034
Energy: 1.7674905446901985
Energy: 2.2648552251267464
Energy: 1.9677488088750366
Energy: 2.2890305176732397
Energy: 1.782843115889489
Energy: 2.289030517669811
Energy: 2.2280107451657947
Energy: 1.9931552039718046
Energy: 2.0747851127081045
Energy: 1.9931552039745475
Energy: 2.3553108995359153
Energy: 2.374348320346575
Energy: 2.2866915165072017
Energy: 2.374348320348633
Energy: 2.0421096818068842
Energy: 2.0917253018661013
Energy: 2.067388428489453
Energy: 2.091725301864044
Energy: 1.8312133059701636
Energy: 1.9913424222557325
Energy: 2.060296626173814
Energy: 1.9913424222557325
Energy: 2.2488081719268234
Energy: 2.277370319935131
Energy: 1.7166773075715938
Energy: 2.2773703199371886
Energy: 2.5807756290296124
Energy: 2.4298801940681907
Energy: 2.3129848673930535
Energy: 2.4298801940702472

minimum gb energy = 1.7166773075715938 eV
minimum distance =  2.47240250079855 Angstroms
sigma value = 29


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

Energy: 1.4767096373881816
Energy: 2.0998301037152554
Energy: 1.9930863389478346
Energy: 1.4784710638440968
Energy: 1.9929258647242971
Energy: 1.671794754061123
Energy: 2.143430626183168
Energy: 1.671794754061123
Energy: 1.939574509845573
Energy: 2.0855018892988553
Energy: 1.4876387061661502
Energy: 2.0855018892988553
Energy: 1.9094833123658035
Energy: 1.5109736662104998
Energy: 1.5127600266464998
Energy: 1.5109736662104998
Energy: 1.986663223036547
Energy: 1.8281219454497253
Energy: 1.480869484621933
Energy: 1.8281219453492943
Energy: 1.9929185475257094
Energy: 1.680693736800315
Energy: 1.4809418099926308
Energy: 1.6806937367979795
Energy: 1.48975920834474
Energy: 2.086863998953306
Energy: 2.5020162861337703
Energy: 2.086863998953306
Energy: 1.635694919532802
Energy: 1.5119640758209385
Energy: 1.5421291190572382
Energy: 1.5119640758209385
Energy: 1.4809515863121505
Energy: 1.5118351338174894
Energy: 2.0951732727274783
Energy: 1.5118351338174894

minimum gb energy = 1.4767096373881816 eV
minimum distance =  2.53845894865955 Angstroms
sigma value = 5


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

Energy: 2.027645378548824
Energy: 2.492926930584325
Energy: 2.380556171652903
Energy: 2.456786048162236
Energy: 2.4269854928922707
Energy: 1.8889654054333846
Energy: 1.9100422845774474
Energy: 1.8889654054320892
Energy: 1.8625231656077144
Energy: 1.9564727001946631
Energy: 1.802662203463613
Energy: 1.9564727001920719
Energy: 1.567386617071508
Energy: 1.9399996146812686
Energy: 2.1511507534215424
Energy: 1.9399996146819163
Energy: 2.3810190545352383
Energy: 1.554243405893777
Energy: 2.389921354795083
Energy: 1.5542434058257601
Energy: 1.5549727963386617
Energy: 1.5549095641241795
Energy: 2.406341357564689
Energy: 1.5549095641248274
Energy: 1.5502984858123285
Energy: 1.550986517890582
Energy: 2.1721375245535572
Energy: 1.550986517890582
Energy: 1.553483850116063
Energy: 1.5727901357922962
Energy: 2.033326570045258
Energy: 1.5727901357968306
Energy: 2.302615521346776
Energy: 2.4656574439578924
Energy: 2.237265553339514
Energy: 2.465657443956597
Energy: 1.7932661030232377
Energy: 2.3986188375558957
Energy: 2.031320271945637
Energy: 2.3986188375546003
Energy: 2.262431344840738
Energy: 1.5376397976709149
Energy: 1.5588197590119275
Energy: 1.5376397976702671
Energy: 2.2487105897564525
Energy: 1.7854377946721098
Energy: 1.7505791858484718
Energy: 1.7854377946973734
Energy: 2.0368887765989228
Energy: 2.118157087864113
Energy: 2.2418750734101764
Energy: 2.118157088013691
Energy: 2.140261407331657
Energy: 2.4759359297435415
Energy: 1.806716743005779
Energy: 2.475935929742246
Energy: 1.578685328994005
Energy: 1.920587364853507
Energy: 1.9235850982825662
Energy: 1.920587364853507
Energy: 1.5527432457905004
Energy: 1.5525079905124122
Energy: 2.3187863467902714
Energy: 1.5525079905150034
Energy: 2.3748949010020834
Energy: 2.493738468102186
Energy: 2.6452913310095187
Energy: 2.49373846810089
Energy: 2.0414772608791467
Energy: 2.0105426170765335
Energy: 2.3763045738857715
Energy: 2.0105426170765335
Energy: 1.798825843938679
Energy: 2.38931760342302
Energy: 1.8629255649618255
Energy: 2.38931760342302
Energy: 2.143379281679622
Energy: 1.9414155037628515
Energy: 1.5621815414984546
Energy: 1.9414155037758072
Energy: 2.4684635016687464
Energy: 1.5549388810869282
Energy: 2.0641580627505594
Energy: 1.5549388810843372
Energy: 2.3452164543084733
Energy: 1.556708053484356
Energy: 2.305056930637897
Energy: 1.5567080513826024
Energy: 2.189692449841746
Energy: 1.5505698536725763
Energy: 1.5538799247343382
Energy: 1.550569853673224
Energy: 2.037573290374885
Energy: 1.5531586811463944
Energy: 1.5529736076562264
Energy: 1.5531586811781357
Energy: 2.145737789134579
Energy: 2.523768373746211
Energy: 2.3333580511353906
Energy: 2.523768373746211
Energy: 2.0325525848588897
Energy: 2.3936858033277715
Energy: 1.7927384117599636
Energy: 2.3936858033277715
Energy: 1.5604595560550016
Energy: 1.7850560745917092
Energy: 2.253107416924733
Energy: 1.7850560745917092
Energy: 1.561225510168444
Energy: 1.5389933155451188
Energy: 2.555075172420029
Energy: 1.5389933155464142
Energy: 1.9869080327154627
Energy: 2.565427253954673
Energy: 2.0320786148782046
Energy: 2.565427253955321
Energy: 1.8438803120220428
Energy: 2.5233360981682407
Energy: 2.158317805032101
Energy: 2.5233360981688886
Energy: 1.796254120951518
Energy: 2.2857858388761767
Energy: 1.5720810574439275
Energy: 2.285785838877472
Energy: 2.3112747113840384
Energy: 1.5522321789321762
Energy: 1.554526304858883
Energy: 1.5522321789315285
Energy: 2.6482534065448897
Energy: 2.5745759195399383
Energy: 2.1773899287001535
Energy: 2.574575919540586

minimum gb energy = 1.5376397976702671 eV
minimum distance =  2.45224321559363 Angstroms
sigma value = 1


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

Energy: 2.154703799909766
Energy: 2.4345210758215434
Energy: 2.052099243995284
Energy: 2.3728161811549175
Energy: 2.5868125239034305
Energy: 1.9474561190040847
Energy: 1.910823160992046
Energy: 1.947456119002293
Energy: 1.911138461933437
Energy: 2.202561710406628
Energy: 1.8424803391976903
Energy: 2.2025617104084194
Energy: 1.509941689536971
Energy: 1.9445773843262424
Energy: 2.2814132341812465
Energy: 1.9445773843262424
Energy: 2.2005792098399577
Energy: 1.5140453783457275
Energy: 2.627527978813483
Energy: 1.5140453783421448
Energy: 1.5026089740695316
Energy: 1.4996360652127234
Energy: 2.642715835220638
Energy: 1.4996360652118277
Energy: 1.4933952724360435
Energy: 1.496211533506697
Energy: 2.2683435204244193
Energy: 1.4962115335058015
Energy: 1.499093081055361
Energy: 1.5022743743532512
Energy: 2.1627548847106866
Energy: 1.50227437435146
Energy: 2.423456934403791
Energy: 2.5077108664911325
Energy: 2.302311820886738
Energy: 2.507710866492924
Energy: 1.8312011575635267
Energy: 1.500434378705483
Energy: 1.5021819270949892
Energy: 1.500434378706379
Energy: 2.2239639518564287
Energy: 1.9472760915481595
Energy: 1.49425895431656
Energy: 1.9472760915463683
Energy: 2.3293732958325295
Energy: 1.4993524053230949
Energy: 1.6079274419415395
Energy: 1.4993524053266776
Energy: 2.1566505659306086
Energy: 2.109397145103735
Energy: 2.494979352691224
Energy: 2.1093971451010485
Energy: 1.9658138512039935
Energy: 2.019080761972431
Energy: 1.8854731581935833
Energy: 2.0190807619742226
Energy: 1.5087209661086185
Energy: 2.2412808440596543
Energy: 1.8913786125920486
Energy: 2.2412808440614453
Energy: 1.5088904321355785
Energy: 2.088774981534762
Energy: 2.281231784426254
Energy: 2.0887749815338665
Energy: 2.2120832210989194
Energy: 2.4321273649523696
Energy: 2.58149258736567
Energy: 2.432127364877174
Energy: 1.4984496068997375
Energy: 1.499846289221412
Energy: 2.364607808235661
Energy: 1.4998462892232032
Energy: 1.4988600795769982
Energy: 1.8904683743467843
Energy: 2.371696545211327
Energy: 1.8904683743485757
Energy: 1.7177287325488548
Energy: 1.5026563942240734
Energy: 2.1601534198972017
Energy: 1.500114608419318
Energy: 1.883854841281201
Energy: 2.715657876878996
Energy: 2.3323373106127367
Energy: 2.715657876879892
Energy: 1.832886543694447
Energy: 1.5004677878628656
Energy: 1.4988581376778118
Energy: 1.5004677878601786
Energy: 2.2733942476133344
Energy: 1.4962023592519476
Energy: 1.4960943113309333
Energy: 1.496202359252843
Energy: 2.1565504983530714
Energy: 1.518093749853524
Energy: 2.0168715068551
Energy: 1.5180937498472546

minimum gb energy = 1.4933952724360435 eV
minimum distance =  2.48803104291686 Angstroms
sigma value = 17


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

Energy: 2.28960907532475
Energy: 2.475284790120321
Energy: 2.1225195642977823
Energy: 2.2829734873820016
Energy: 2.497233746043537
Energy: 1.771681690911367
Energy: 1.7354118327998975
Energy: 1.7716816909102597
Energy: 1.971731567137467
Energy: 2.0701789517732756
Energy: 1.6903079642413539
Energy: 2.070178951770508
Energy: 1.8842932276094337
Energy: 2.3572413623514707
Energy: 1.7300146871321607
Energy: 2.357241362350917
Energy: 2.3173688117029236
Energy: 2.463029233003867
Energy: 2.161944102146189
Energy: 2.463029233005528
Energy: 1.5800490333348134
Energy: 1.5635188138516174
Energy: 2.5402379170964218
Energy: 1.5635188138494032
Energy: 1.4686662737051979
Energy: 1.4662807540780807
Energy: 2.3106790124782384
Energy: 1.4662807540775775
Energy: 1.650783150660813
Energy: 1.475496022314962
Energy: 2.2948666960455193
Energy: 1.475496022313251
Energy: 2.2231660655451786
Energy: 2.2623113532320875
Energy: 2.7074482281729044
Energy: 2.262311353229873
Energy: 1.6824432443010766
Energy: 1.8691555293093236
Energy: 1.7488702267869112
Energy: 1.8691555293098268
Energy: 2.2427535125278406
Energy: 2.199392047857572
Energy: 1.4845127993387621
Energy: 2.199392047857019
Energy: 2.5947565635175764
Energy: 1.7791794156584313
Energy: 2.024232122613148
Energy: 1.779179415657324
Energy: 2.558140619289595
Energy: 1.5900855961424074
Energy: 1.8041479658870907
Energy: 1.5900855961390858
Energy: 2.3962794535199534
Energy: 1.4779741583373054
Energy: 1.481851382566669
Energy: 1.4779741583384125
Energy: 1.8904154107514983
Energy: 1.764286611688466
Energy: 1.4895247276532113
Energy: 1.7642866116846407
Energy: 2.379478077242112
Energy: 2.3683938062560226
Energy: 1.8310815981265773
Energy: 2.368393806255469
Energy: 1.5622206277885757
Energy: 2.0185782627463675
Energy: 2.0867139257081937
Energy: 2.0185782627463675
Energy: 1.4833511635237917
Energy: 1.4823458639535994
Energy: 2.5400352136804014
Energy: 1.4823458639553104
Energy: 1.4786406597600597
Energy: 1.4811491280940197
Energy: 2.573371200713905
Energy: 1.481149128091201
Energy: 2.441786047966512
Energy: 2.5523254980567374
Energy: 2.2910201894705784
Energy: 2.552325498057291
Energy: 1.7374636221365138
Energy: 1.7718636621732835
Energy: 2.3592022013412066
Energy: 1.7718636621726795
Energy: 1.732248729277004
Energy: 2.0706478633493353
Energy: 1.9660602076747054
Energy: 2.0706478633487815
Energy: 1.7303731283559194
Energy: 2.2559324939528302
Energy: 1.9618596949497604
Energy: 2.255932493953937
Energy: 2.0921978953518616
Energy: 2.6597849714985586
Energy: 2.3147146513951964
Energy: 2.659784971499113
Energy: 2.542371907633732
Energy: 1.563609292044298
Energy: 1.5719611001864768
Energy: 1.563609292044902
Energy: 2.416714200064407
Energy: 1.467276055549866
Energy: 1.4726585880094432
Energy: 1.4672760555509734
Energy: 2.2917226260306856
Energy: 1.472369787297892
Energy: 1.6509713919160898
Energy: 1.4723697872868202
Energy: 2.3862744775605274
Energy: 2.2585577293513563
Energy: 2.191402078109047
Energy: 2.2585577293513563
Energy: 1.7581833018935151
Energy: 1.8674131845442983
Energy: 1.6860864107191371
Energy: 1.8674131845454054
Energy: 1.4865293676725262
Energy: 1.9221848576038565
Energy: 2.3736460453930524
Energy: 1.9221848576043599
Energy: 2.018888885678219
Energy: 1.4881257781214348
Energy: 2.5969171898503083
Energy: 1.4881257781208308
Energy: 1.674708332219643
Energy: 1.4781490752970612
Energy: 2.6325875319117795
Energy: 1.4781490752937394
Energy: 1.4773581490904784
Energy: 1.4777587660041847
Energy: 2.3903655866779556
Energy: 1.4777587660036815
Energy: 1.4886411444386012
Energy: 1.4839492584606666
Energy: 1.885333820259675
Energy: 1.4839492584590563
Energy: 2.4309299282786743
Energy: 2.256475962860583
Energy: 2.377634071115301
Energy: 2.256475962862797
Energy: 2.0856679005299803
Energy: 1.4844687310831943
Energy: 1.5618646331831054
Energy: 1.4844687098209421
Energy: 2.543518608461497
Energy: 1.682456075104404
Energy: 1.4798994126160516
Energy: 1.6824560751055113
Energy: 2.7010237111926934
Energy: 1.4824458595503776
Energy: 1.737507712472744
Energy: 1.482445859547056

minimum gb energy = 1.4662807540775775 eV
minimum distance =  2.48347833053515 Angstroms
sigma value = 89


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

Energy: 2.405798801665945
Energy: 1.6164378366230634
Energy: 2.002704312540992
Energy: 1.419828590977551
Energy: 1.9282729277641408
Energy: 1.968745568334083
Energy: 1.9098158004783532
Energy: 1.968745568334083
Energy: 1.3390770170547805
Energy: 1.4974383953106971
Energy: 1.885306979997696
Energy: 1.4974383953106971
Energy: 1.340875457565171
Energy: 1.9682114076393922
Energy: 1.911159158074205
Energy: 1.9682114076379436
Energy: 1.7007552581372694
Energy: 1.3537753939366506
Energy: 1.8695379359718889
Energy: 1.353775393943893
Energy: 1.6164753860796057
Energy: 1.3539532570408221
Energy: 1.8992702427115846
Energy: 1.3539532570393737
Energy: 1.3480772778482673
Energy: 1.348886153394487
Energy: 2.5019834744929104
Energy: 1.3488861533930383
Energy: 2.0126909484282556
Energy: 1.3526332455616403
Energy: 2.414132799738388
Energy: 1.3526332455616403
Energy: 1.9282371708256663
Energy: 1.9695638561403708
Energy: 2.440978009770082
Energy: 1.9695638561403708
Energy: 1.8782276556587172
Energy: 1.4994547169376327
Energy: 1.9280386280555584
Energy: 1.4994547169376327
Energy: 1.9119420323533494
Energy: 1.4985599568609516
Energy: 1.3376108412635892
Energy: 1.4985599568609516
Energy: 1.9014148424353565
Energy: 1.3526857040475524
Energy: 1.4727722106161751
Energy: 1.3526857040490008
Energy: 1.8695587299591625
Energy: 1.3521230580279768
Energy: 1.617134779579012
Energy: 1.3521230580207342
Energy: 2.4728694524807278
Energy: 1.3481506916584602
Energy: 1.3458614011747134
Energy: 1.3481506916570116
Energy: 2.4421358223988334
Energy: 1.351137706422748
Energy: 2.0119358611265223
Energy: 1.3511377064198515

minimum gb energy = 1.3376108412635892 eV
minimum distance =  2.50410398888355 Angstroms
sigma value = 13


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

Energy: 2.148712782122064
Energy: 2.00796124157471
Energy: 2.0107990375281757
Energy: 1.381826973063645
Energy: 2.577967938728485
Energy: 1.6408873641447963
Energy: 1.5642433396179045
Energy: 1.6408873641460107
Energy: 2.239344928301391
Energy: 1.7223739115699999
Energy: 1.5126054059772744
Energy: 1.7223739115681787
Energy: 1.7056798582982329
Energy: 2.435593203928597
Energy: 1.560532237706549
Energy: 2.4355932039328465
Energy: 2.3090751660715343
Energy: 2.3866408242111796
Energy: 2.017517536776972
Energy: 2.3866408242099655
Energy: 1.5626659977865487
Energy: 1.6350484696055592
Energy: 2.0240761569038774
Energy: 1.6350484696031307
Energy: 1.5581731001422536
Energy: 1.637087440251815
Energy: 2.4987785067441974
Energy: 1.6370874402487792
Energy: 1.869223170675949
Energy: 1.7069409814713885
Energy: 2.403788359669187
Energy: 1.706940981469567
Energy: 1.424911246256695
Energy: 1.4120624793922043
Energy: 2.5631867393181698
Energy: 1.4120624793922043
Energy: 1.3079221340641871
Energy: 1.303201113541789
Energy: 2.503033924175344
Energy: 1.3032011135369321
Energy: 1.404133030832713
Energy: 1.412075286833803
Energy: 2.149526708405006
Energy: 1.4120752868325885
Energy: 2.0266596949307543
Energy: 2.182719602735108
Energy: 2.5629514084692206
Energy: 2.1827196027357156
Energy: 2.0204341679292095
Energy: 2.233199960716894
Energy: 2.0439068128064193
Energy: 2.2331999607162873
Energy: 2.0268619812892914
Energy: 2.2341770028892007
Energy: 1.7070875852809744
Energy: 2.2341770028916295
Energy: 2.4639227000341486
Energy: 2.2665004115266565
Energy: 2.081492730684396
Energy: 2.266500411523621
Energy: 2.4148482700337706
Energy: 1.403752243004881
Energy: 1.4149094904708128
Energy: 1.4037522430018454
Energy: 2.5445097232791385
Energy: 1.3039916828109304
Energy: 1.3094870006212795
Energy: 1.3039916828121447
Energy: 2.1519238841282315
Energy: 1.424039403454698
Energy: 1.5196857493937186
Energy: 1.4240394034540909
Energy: 2.5708032119832134
Energy: 1.6436200919722528
Energy: 1.746976232350169
Energy: 1.643620091974074
Energy: 2.3952567932112054
Energy: 1.6599207915506666
Energy: 1.5051098865120685
Energy: 1.6599207902774977
Energy: 1.701598267930095
Energy: 1.7649609250170404
Energy: 1.5591872195585674
Energy: 1.764960925013398
Energy: 2.29078982940517
Energy: 2.398720208141313
Energy: 2.024718679485796
Energy: 2.3987202081437413
Energy: 1.5713625258037576
Energy: 1.6369973134224323
Energy: 1.9370688551210034
Energy: 1.6369973134230391
Energy: 1.3046065191102163
Energy: 1.63561852065731
Energy: 2.4904621889640297
Energy: 1.6356185206457745
Energy: 1.8689882052256002
Energy: 1.75489017974384
Energy: 2.4575771815911884
Energy: 1.754890179743233
Energy: 1.3042958560759856
Energy: 1.4150426239308986
Energy: 2.413036684054036
Energy: 1.4150426239296845
Energy: 1.303402825244203
Energy: 1.303680533618291
Energy: 2.5072852107131416
Energy: 1.303680533621934
Energy: 1.4032752507536865
Energy: 1.309029502873254
Energy: 2.153799895285437
Energy: 1.3090295028726469
Energy: 2.0755296828523204
Energy: 2.1847019933902145
Energy: 2.5388054987436814
Energy: 2.1847019933902145
Energy: 1.5041717079846042
Energy: 2.155240188733109
Energy: 2.0478261275107332
Energy: 2.155240188731895
Energy: 2.027319467333744
Energy: 2.0990561281701474
Energy: 1.7029873692587698
Energy: 2.0990561281689333
Energy: 2.3934059476741956
Energy: 2.2785492462664374
Energy: 2.1784020847862045
Energy: 2.2785492462616355
Energy: 2.417831188051603
Energy: 1.40649380491195
Energy: 1.401748721864432
Energy: 1.4064938049137714
Energy: 2.5097376776951044
Energy: 1.302341980278243
Energy: 1.303799709487767
Energy: 1.3023419802812786
Energy: 2.646493883136011
Energy: 1.404103764677137
Energy: 1.5111441826105332
Energy: 1.4041037646807246

minimum gb energy = 1.302341980278243 eV
minimum distance =  2.48342321225524 Angstroms
sigma value = 37


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

Energy: 1.8868869048614543
Energy: 1.3783460086271913
Energy: 1.1970184465060736
Energy: 1.2863048053656492
Energy: 2.3101093572817866
Energy: 1.745974261007614
Energy: 1.611522616639223
Energy: 1.7459742610086586
Energy: 2.012151149794293
Energy: 1.6978248438511678
Energy: 1.5468169081887042
Energy: 1.6978248438511678
Energy: 1.893751581462073
Energy: 2.2825152936519624
Energy: 2.2243208975541267
Energy: 2.2825152936519624
Energy: 2.136421952211735
Energy: 2.2363994909332443
Energy: 1.5393256754231175
Energy: 2.2363994909332443
Energy: 1.439930702175847
Energy: 1.7822476618615253
Energy: 2.2800226436835342
Energy: 1.7822476618604808
Energy: 1.1904784348371433
Energy: 1.7452037578088622
Energy: 2.3178796999729534
Energy: 1.7452037578088622
Energy: 1.987668694082069
Energy: 1.740197050411448
Energy: 2.3240199984714516
Energy: 1.740197050411448
Energy: 1.379239482733345
Energy: 1.1999564209242817
Energy: 2.305091701276056
Energy: 1.1999564209242817
Energy: 1.1967033743109485
Energy: 1.1978687746350658
Energy: 2.5706062751682306
Energy: 1.1978687746350658
Energy: 1.1972941114074618
Energy: 1.2863048053646047
Energy: 1.8868869048614543
Energy: 1.3783459979006405
Energy: 1.6115226166402674
Energy: 1.7459742610086586
Energy: 2.5949029044225163
Energy: 1.7459742610086586
Energy: 1.5468169081897487
Energy: 1.6978248438511678
Energy: 2.012151149794293
Energy: 1.6978248438511678
Energy: 2.2243208975541267
Energy: 2.2825152936519624
Energy: 1.893751581462073
Energy: 2.2825152936519624
Energy: 1.539325675422073
Energy: 2.2363994909332443
Energy: 2.136421952211735
Energy: 2.236399490934289
Energy: 2.119489540959145
Energy: 1.7822476618604808
Energy: 1.6118753796442171
Energy: 1.7822476618615253
Energy: 2.3178796999729534
Energy: 1.7452037578088622
Energy: 1.190478434838188
Energy: 1.7452037578088622
Energy: 2.3240199984714516
Energy: 1.7401970504104032
Energy: 1.9876686940831132
Energy: 1.740197050411448
Energy: 2.3050917012771004
Energy: 1.1999564209242817
Energy: 1.379239482733345
Energy: 1.1999564209242817
Energy: 2.2811582126894323
Energy: 1.1978687746361103
Energy: 1.196703374311993
Energy: 1.1978687746350658

minimum gb energy = 1.1904784348371433 eV
minimum distance =  2.50278858118131 Angstroms
sigma value = 25


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

Energy: 2.4042536491294504
Energy: 1.2259286040478876
Energy: 1.2257224442321346
Energy: 1.2228656127578361
Energy: 2.611579961246924
Energy: 1.5462286962879708
Energy: 1.4835301066603546
Energy: 1.5462286962879708
Energy: 2.3093504103456124
Energy: 1.5305878935993065
Energy: 1.4167710479752824
Energy: 1.530587893598491
Energy: 1.7587601289391332
Energy: 1.9954005954612166
Energy: 2.170810786611899
Energy: 1.9954005954604008
Energy: 2.291320154278703
Energy: 2.0357807141278146
Energy: 1.9610424606687213
Energy: 2.035780714128631
Energy: 1.8449870134586237
Energy: 1.9458922733525588
Energy: 1.9798074067344467
Energy: 1.9458922733517432
Energy: 1.7649384233240952
Energy: 2.0145950189270807
Energy: 2.5024657611453
Energy: 2.0145950189262654
Energy: 2.1675000792762384
Energy: 1.9428458779533075
Energy: 2.0780642312870303
Energy: 1.9428458779524918
Energy: 1.3902979830338176
Energy: 1.4108945982184367
Energy: 2.4008527948821268
Energy: 1.410894598219252
Energy: 1.3944278745408312
Energy: 1.3923198766469131
Energy: 2.508286311464392
Energy: 1.3923198766477287
Energy: 1.456859194423106
Energy: 1.5201623148188828
Energy: 2.073281171345291
Energy: 1.520162314809948
Energy: 1.2085486804997212
Energy: 1.3296016328795506
Energy: 2.5128558083393533
Energy: 1.329601632878735
Energy: 1.2435647642559735
Energy: 1.3122503166792416
Energy: 2.587479406892803
Energy: 1.3122503166792416
Energy: 1.6437900515119157
Energy: 1.755621714682272
Energy: 2.237039373796112
Energy: 1.755621714682272
Energy: 1.4779512906899268
Energy: 1.7535317486088466
Energy: 2.6526382511048365
Energy: 1.7535317486080308
Energy: 1.6450104603775288
Energy: 1.8189812590496126
Energy: 2.314918435763674
Energy: 1.8189812590479815
Energy: 2.000016830464879
Energy: 1.9434378666894954
Energy: 2.3212170835714407
Energy: 1.9434378666886798
Energy: 1.4683865022711453
Energy: 2.042193671670258
Energy: 2.453976119391037
Energy: 2.042193671670258
Energy: 1.9556886778653013
Energy: 1.8341089069782412
Energy: 1.8622905591747758
Energy: 1.8341089069774257
Energy: 2.468101226194798
Energy: 2.011795607819975
Energy: 1.8446011678863423
Energy: 2.011795607818344
Energy: 2.074529995393805
Energy: 1.5198188384655775
Energy: 1.4533558767454702
Energy: 1.5198188384639464
Energy: 2.39906317965815
Energy: 1.5500031592602066
Energy: 1.2077589780198579
Energy: 1.5500031592593908
Energy: 2.5311501377588552
Energy: 1.6670904957271386
Energy: 1.596938380475988
Energy: 1.6670904957263228
Energy: 2.0765337547782807
Energy: 1.2271962611946927
Energy: 1.2261823699483376
Energy: 1.227196261195508
Energy: 2.6435933124021087
Energy: 1.0900478905063073
Energy: 1.0926632531733749
Energy: 1.0900478905063073
Energy: 2.3229206854926447
Energy: 1.2319907720566983
Energy: 1.1539773245586105
Energy: 1.2319907720575138

minimum gb energy = 1.0900478905063073 eV
minimum distance =  2.49466627087707 Angstroms
sigma value = 41


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

Energy: 2.4446686980067702
Energy: 1.0895199173263475
Energy: 1.089778730942068
Energy: 1.0466100867775112
Energy: 2.4972357809189405
Energy: 1.3638872243428002
Energy: 1.2567521609105285
Energy: 1.3638872243434688
Energy: 2.2908011787969293
Energy: 1.3568361793472157
Energy: 1.2540155005463167
Energy: 1.3568361793478845
Energy: 1.9109446230054214
Energy: 1.8054297024958819
Energy: 1.969565277478887
Energy: 1.8054297024965504
Energy: 2.2836276795275725
Energy: 1.7966865524649698
Energy: 1.7442728896033732
Energy: 1.7966865524696505
Energy: 1.915666790591124
Energy: 1.8132847330401471
Energy: 1.7177923557591226
Energy: 1.8132847330401471
Energy: 1.9729893618275436
Energy: 1.9313647216830248
Energy: 2.1100736543886747
Energy: 1.9313647216830248
Energy: 2.374965450264536
Energy: 1.868119275261581
Energy: 1.6558261627765833
Energy: 1.8681192752622495
Energy: 1.5133004989143304
Energy: 1.8215071162175684
Energy: 2.113611204736065
Energy: 1.8215071162175684
Energy: 1.514668282601255
Energy: 1.803026930441807
Energy: 2.4785849302992533
Energy: 1.8030269304424758
Energy: 1.2492902794271943
Energy: 1.3646366987677883
Energy: 2.1770485625328395
Energy: 1.3646366987671195
Energy: 1.190066705937931
Energy: 1.360014880691669
Energy: 2.441731060278316
Energy: 1.360014880688994
Energy: 1.3653423603249337
Energy: 1.4744817160913033
Energy: 2.4446791255893348
Energy: 1.4744817160899661
Energy: 1.088365910074637
Energy: 1.099402994280303
Energy: 2.178993001381957
Energy: 1.099402994280303
Energy: 0.9816642290532671
Energy: 0.977671786319406
Energy: 2.6567352650930562
Energy: 0.977671786319406
Energy: 1.1081987815633894
Energy: 1.0929103368316602
Energy: 2.3089674974006438
Energy: 1.092910336832329
Energy: 1.4315857028568115
Energy: 1.4805207461153265
Energy: 2.31921503001495
Energy: 1.480520746113989
Energy: 1.1890016337230347
Energy: 1.368598432619392
Energy: 2.31907118498148
Energy: 1.3685984326180547
Energy: 1.2641472173479618
Energy: 1.3610547291032733
Energy: 1.9706078079560343
Energy: 1.3610547291032733
Energy: 1.7252928868608697
Energy: 1.807315466419811
Energy: 1.915295951645692
Energy: 1.8073154664178048
Energy: 1.6547453431932126
Energy: 1.8680965170224304
Energy: 2.1059032868417717
Energy: 1.868096517023099
Energy: 1.7266072326449382
Energy: 1.781530059919293
Energy: 1.9167993969879213
Energy: 1.7815300599186243
Energy: 2.1029904993147244
Energy: 1.8715425381681006
Energy: 1.9164122476718073
Energy: 1.8715425381681006
Energy: 1.6571918250842228
Energy: 1.7735503070962706
Energy: 1.728962632887676
Energy: 1.773550307097608
Energy: 2.1211933036376505
Energy: 1.7644655184480045
Energy: 1.3988059016774392
Energy: 1.764465518448673
Energy: 2.1130918891468653
Energy: 1.8019062276093347
Energy: 1.729639029961192
Energy: 1.8019062276093347
Energy: 2.144802300087248
Energy: 1.444634533566422
Energy: 1.251103659424722
Energy: 1.4446345335670907
Energy: 2.451176735575516
Energy: 1.3647686147379556
Energy: 1.1871949806642068
Energy: 1.3647686147366185
Energy: 2.1810650181945563
Energy: 1.479743309538043
Energy: 1.3609714841036102
Energy: 1.479743309538043
Energy: 2.112753275709228
Energy: 1.0933114524539798
Energy: 1.1112915402050183
Energy: 1.0933114524546483
Energy: 2.4626984659012554
Energy: 0.9770791019460898
Energy: 0.9801227474409441
Energy: 0.9770791019460898
Energy: 2.449492153209528
Energy: 1.0974109601431197
Energy: 1.0896853792682968
Energy: 1.0974109601431197

minimum gb energy = 0.9770791019460898 eV
minimum distance =  2.49026979300531 Angstroms
sigma value = 15


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

Energy: 2.1243764115414994
Energy: 0.9953535907805233
Energy: 0.9947338939496293
Energy: 0.9610687228651024
Energy: 2.5238376519210592
Energy: 1.2188191580389824
Energy: 1.1384351789936766
Energy: 1.2188191580406817
Energy: 2.330336648235556
Energy: 1.2314415123308462
Energy: 1.0887417185440027
Energy: 1.2314415123285802
Energy: 2.127541128196549
Energy: 1.6189487160257972
Energy: 1.66848102507544
Energy: 1.6189487160246643
Energy: 2.3419391964089713
Energy: 1.6412759798225935
Energy: 1.5511294132564417
Energy: 1.64127597982316
Energy: 2.040278047451232
Energy: 1.6197906971683116
Energy: 1.5345762335652406
Energy: 1.6197906971671787
Energy: 1.6871639522646695
Energy: 1.7280091042101053
Energy: 1.8876308768959669
Energy: 1.728009104208406
Energy: 2.051101001928425
Energy: 1.732640224927624
Energy: 1.467336504371552
Energy: 1.732640224927624
Energy: 1.7048716150776702
Energy: 1.6947267121837735
Energy: 1.8749555729177851
Energy: 1.6947267121837735
Energy: 1.7032877570016065
Energy: 1.7219183187315739
Energy: 2.178261935650043
Energy: 1.7219183187315739
Energy: 1.5827376753000693
Energy: 1.6156687121301436
Energy: 1.9025175159204575
Energy: 1.615668712134109
Energy: 1.2585204651981023
Energy: 1.644545502698473
Energy: 2.1784794678130783
Energy: 1.644545502698473
Energy: 1.597365986448133
Energy: 1.6348006888296311
Energy: 2.19545090988797
Energy: 1.6348006888296311
Energy: 1.132849807689137
Energy: 1.2380971311096787
Energy: 1.9040994569038632
Energy: 1.238097131113644
Energy: 1.07952011869035
Energy: 1.2338427923366644
Energy: 2.4744508461707837
Energy: 1.2338427923377975
Energy: 1.2379787857200302
Energy: 1.3154908914420007
Energy: 2.2060450355712025
Energy: 1.3154908914414343
Energy: 0.9923220106944629
Energy: 1.0010811307423344
Energy: 2.2430883823668815
Energy: 1.0010811307400684
Energy: 0.8998826216034393
Energy: 0.9006479219296364
Energy: 2.5067952862744813
Energy: 0.9006479219290698
Energy: 0.9943186943376172
Energy: 1.000142684828275
Energy: 2.097298016667304
Energy: 1.0001426848277086
Energy: 1.2996033656878143
Energy: 1.3147216888554856
Energy: 2.375369333299785
Energy: 1.3147216888577513
Energy: 1.0751620388069754
Energy: 1.0773374953835912
Energy: 2.5054045143058743
Energy: 1.077337495384158
Energy: 1.177689129309181
Energy: 1.2367686321517157
Energy: 2.129841058566265
Energy: 1.236768632151149
Energy: 1.5390223812340187
Energy: 1.6347481067127878
Energy: 2.038164997143137
Energy: 1.6347481067127878
Energy: 1.4703276416237472
Energy: 1.6177232289907602
Energy: 2.1907593222004325
Energy: 1.6177232289913266
Energy: 1.5533686721365716
Energy: 1.6274300867240437
Energy: 1.6789984722819187
Energy: 1.627430086723477
Energy: 1.8733231527173768
Energy: 1.7219210603024042
Energy: 2.180395971318802
Energy: 1.7219210603018378
Energy: 1.50382405004801
Energy: 1.6969899716217112
Energy: 1.870712427846089
Energy: 1.6969899716205783
Energy: 2.1881006299838113
Energy: 1.790391949194405
Energy: 1.6805094710742559
Energy: 1.790391949195538
Energy: 1.9015763372793133
Energy: 1.7293178990861808
Energy: 1.9285959072479315
Energy: 1.7293178990867473
Energy: 1.872098704251479
Energy: 1.6526277912785539
Energy: 1.5394880119584393
Energy: 1.6526277912796867
Energy: 2.487217876872904
Energy: 1.6356595953869304
Energy: 1.2583423901594712
Energy: 1.635659595386364
Energy: 1.9056146892864785
Energy: 1.6362895644667936
Energy: 1.623341941170745
Energy: 1.6362895644679265
Energy: 2.2032935543257848
Energy: 1.2311733094276573
Energy: 1.138138061150674
Energy: 1.2311733094270907
Energy: 2.4934835148139807
Energy: 1.2217807486221772
Energy: 1.1378635809252298
Energy: 1.2217807486210444
Energy: 2.354335860930311
Energy: 1.2731835164885086
Energy: 1.2884850344638012
Energy: 1.273183516773339
Energy: 2.503855772301816
Energy: 0.902374423259726
Energy: 0.9075389806714603
Energy: 0.902374423259726
Energy: 2.3469224798648227
Energy: 0.9030619811095939
Energy: 0.9098079985810497
Energy: 0.9030619811084609

minimum gb energy = 0.8998826216034393 eV
minimum distance =  2.49110627820302 Angstroms
sigma value = 85


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

Energy: 2.3626543081380866
Energy: 0.897993551059079
Energy: 0.8977503816966335
Energy: 0.9577755055663801
Energy: 2.5972440795544642
Energy: 1.1033525369508739
Energy: 1.0211242797592854
Energy: 1.1033525369489088
Energy: 2.175420920219071
Energy: 1.1146723724645426
Energy: 0.9707754447835182
Energy: 1.1146723724655252
Energy: 1.9702079507178458
Energy: 1.3272813412111961
Energy: 1.4774066809503077
Energy: 1.3272813412121787
Energy: 2.4327741740196474
Energy: 1.481890311245166
Energy: 1.3673234311867595
Energy: 1.481890311243201
Energy: 1.8879921439614684
Energy: 1.4794331074786373
Energy: 1.3967657460630383
Energy: 1.4794331074771634
Energy: 1.938471141895867
Energy: 1.5609718352012494
Energy: 1.6958021639291885
Energy: 1.5609718352017408
Energy: 2.1949116457141193
Energy: 1.5749949563171937
Energy: 1.3976608891093307
Energy: 1.5749949563167023
Energy: 1.892704400978525
Energy: 1.548315326824067
Energy: 1.6764698427699714
Energy: 1.548315326824067
Energy: 1.891691959568198
Energy: 1.5847941720021985
Energy: 1.9724886855145682
Energy: 1.584794172003181
Energy: 1.6729195488141808
Energy: 1.5392871772630898
Energy: 1.776211891888392
Energy: 1.5392871772650552
Energy: 1.5905831444254692
Energy: 1.5375784230875629
Energy: 1.969273110513532
Energy: 1.5375784230885454
Energy: 1.6688398275874192
Energy: 1.558020388198095
Energy: 2.0332463041190074
Energy: 1.558020388196621
Energy: 1.4327788753132555
Energy: 1.4440329926177327
Energy: 1.7776049026988503
Energy: 1.4440329926182238
Energy: 1.2133042431481753
Energy: 1.445330470543708
Energy: 2.2256582746538913
Energy: 1.4453304705432166
Energy: 1.451239266696403
Energy: 1.4443931434244517
Energy: 2.0341125832731866
Energy: 1.444393143423469
Energy: 0.9993038441532714
Energy: 1.018286128275562
Energy: 2.047172101495365
Energy: 1.018286128275562
Energy: 0.985033460802603
Energy: 1.0184621940498886
Energy: 2.5206838285955886
Energy: 1.0184621940493972
Energy: 1.1459725251776036
Energy: 1.1268512272961224
Energy: 2.314712565847324
Energy: 1.1268512272951399
Energy: 1.0567970342524282
Energy: 1.0823596384632546
Energy: 2.3149211298305605
Energy: 1.082359638463746
Energy: 0.892619423765666
Energy: 0.9652166438861194
Energy: 2.6300492725417546
Energy: 0.9652166438861194
Energy: 0.9144689821368633
Energy: 0.9543355292227755
Energy: 2.2684785814224266
Energy: 0.9543355292222843
Energy: 1.2003388857197466
Energy: 1.2339519668256609
Energy: 2.3564319729134966
Energy: 1.2339519668246781
Energy: 1.050414172528082
Energy: 1.2490560521951246
Energy: 2.427724905620496
Energy: 1.2490560521946332
Energy: 1.216583376137694
Energy: 1.2873071144361734
Energy: 1.9677138187807341
Energy: 1.2873071144405952
Energy: 1.3908035556909648
Energy: 1.3697287376082468
Energy: 2.413777142548758
Energy: 1.3697287376087381
Energy: 1.352654901359129
Energy: 1.4002679730626666
Energy: 2.1694352896971507
Energy: 1.400267973061684
Energy: 1.6903026669478731
Energy: 1.5445083988277133
Energy: 1.9705583243014604
Energy: 1.544508398832135
Energy: 1.6736599899823028
Energy: 1.546943793468583
Energy: 2.229717778479905
Energy: 1.5469437934695656
Energy: 1.6582137842831497
Energy: 1.540868849040786
Energy: 1.8899133499327014
Energy: 1.5408688490398033
Energy: 1.968781452393123
Energy: 1.5815600971225217
Energy: 1.587530480731588
Energy: 1.581560097121539
Energy: 1.7806158055819314
Energy: 1.6008642300281954
Energy: 1.9856017556179133
Energy: 1.6008642300281954
Energy: 1.9650797274228173
Energy: 1.564630885409196
Energy: 1.5950922082454317
Energy: 1.5646308854096873
Energy: 2.240957699101377
Energy: 1.5582014461154567
Energy: 1.605360424881898
Energy: 1.5582014461144742
Energy: 1.7736357223465573
Energy: 1.5568328877188466
Energy: 1.7407631575755556
Energy: 1.556832887719338
Energy: 2.223770811543586
Energy: 1.4664467944427342
Energy: 1.3263825104588816
Energy: 1.4664467944427342
Energy: 2.282876011341287
Energy: 1.454254512281591
Energy: 1.375779543413234
Energy: 1.4542545122820822
Energy: 2.166633964480891
Energy: 1.1393922205222717
Energy: 1.0380615759388023
Energy: 1.1393922205222717
Energy: 2.4881182966210003
Energy: 1.0470787205644936
Energy: 0.9735148392393991
Energy: 1.047078720564985
Energy: 2.3182287336451886
Energy: 1.1839216316578096
Energy: 1.1274522880070659
Energy: 1.183921631658301
Energy: 2.168127733978366
Energy: 0.8989268731956459
Energy: 0.8980405977663448
Energy: 0.8989268731956459
Energy: 2.6379158559709244
Energy: 0.8183139598803821
Energy: 0.818955563753568
Energy: 0.8183139598784169
Energy: 2.173528609772025
Energy: 0.8987356676008127
Energy: 0.8977793588152685
Energy: 0.8987356676017954

minimum gb energy = 0.8183139598784169 eV
minimum distance =  2.49449634959942 Angstroms
sigma value = 113


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

Energy: 0.021443149849815848
Energy: 0.9813687612200936
Energy: 1.9689227640670601
Energy: 0.022367220011409835
Energy: 1.1662041980363402
Energy: 0.18545917976088022
Energy: 1.1696657387852845
Energy: 0.1854591797605025
Energy: 0.022218183178570088
Energy: 0.18246895543081354
Energy: 1.1666280039016328
Energy: 0.18246895543114927
Energy: 0.0241756108875303
Energy: 0.18299770244067345
Energy: 1.1638522725104117
Energy: 0.18299770244100919
Energy: 1.1691231478524695
Energy: 0.18498209033975396
Energy: 1.5093793101065027
Energy: 0.1849820903401316
Energy: 0.022189914091827644
Energy: 0.18224489785304446
Energy: 1.167029779637212
Energy: 0.1822448978522891

minimum gb energy = 0.021443149849815848 eV
minimum distance =  2.73530736351058 Angstroms
sigma value = 1