Model name: model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998886883259
cohesive_energy=3.360254209517774
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01037419422782778
Energy: 0.011194457069848241
Energy: 0.7065027697737105
Energy: 0.011194457070347958
Energy: 0.011194457070347958
Energy: 0.5525468320921317
Energy: 0.011194457069848241
Energy: 0.552546832091632
Energy: 0.7065027697742102
Energy: 0.011194457070347958
Energy: 0.01037419422782778
Energy: 0.011194457070347958
Energy: 0.011194457070347958
Energy: 0.5525468320921317
Energy: 0.011194457070347958
Energy: 0.5525468320921317

minimum gb energy = 0.01037419422782778 eV
minimum distance =  2.67558151707774 Angstroms
sigma value = 1


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

Energy: 0.6485156583750529
Energy: 0.6248199891977014
Energy: 0.6526548216715939
Energy: 0.6248199891977014
Energy: 0.6222944939367587
Energy: 0.6410712698775437
Energy: 0.6236406173895281
Energy: 0.6410712698775437
Energy: 0.6143027038212951
Energy: 0.6165916672722535
Energy: 0.6334254018968617
Energy: 0.6165916672722535
Energy: 0.6221022545847554
Energy: 0.6438290147382733
Energy: 0.605112141305459
Energy: 0.6438290147382733
Energy: 0.6260056285581548
Energy: 0.6309738423018542
Energy: 0.6160135007637827
Energy: 0.6309738423018542
Energy: 0.5944605699249387
Energy: 0.7009714202005166
Energy: 0.5825115760250243
Energy: 0.7009714202005166
Energy: 0.622588969708202
Energy: 0.6216503265605892
Energy: 0.5958584526517907
Energy: 0.6216503265605892
Energy: 0.5614366321623333
Energy: 0.6290874354237875
Energy: 0.5841007776560879
Energy: 0.6290874354237875
Energy: 0.6055472109809755
Energy: 0.7899141596856475
Energy: 0.6188822950023931
Energy: 0.7899141596856475
Energy: 0.5880408856907358
Energy: 0.6161307505788464
Energy: 0.5619043248451052
Energy: 0.6161307505788464
Energy: 0.621496809845298
Energy: 0.6436825509790183
Energy: 0.605243555491826
Energy: 0.6436825509790183
Energy: 0.6324813670499729
Energy: 0.6289862854524101
Energy: 0.5923236878798632
Energy: 0.6289862854524101
Energy: 0.6221178101625435
Energy: 0.6145418792329579
Energy: 0.6227900708920016
Energy: 0.6145418792335641
Energy: 0.6305611395323132
Energy: 0.6458963368907109
Energy: 0.6021835015769808
Energy: 0.645896336890105
Energy: 0.6446905399934778
Energy: 0.6331944302604808
Energy: 0.6220273698064849
Energy: 0.6331944302604808
Energy: 0.6407789763265638
Energy: 0.6268146432918043
Energy: 0.6304886372251078
Energy: 0.6268146432918043
Energy: 0.6335632212389166
Energy: 0.6163746767059166
Energy: 0.585314934351132
Energy: 0.6163746767059166
Energy: 0.6237225943934637
Energy: 0.6147692835050841
Energy: 0.6221001530865102
Energy: 0.6147692835056902
Energy: 0.5743329142945406
Energy: 0.6276937114458495
Energy: 0.5971520213500835
Energy: 0.6276937114464556
Energy: 0.6236078341105418
Energy: 0.7694040665471519
Energy: 0.6073072304962855
Energy: 0.7694040665471519
Energy: 0.581671989163258
Energy: 0.616325233066502
Energy: 0.5609385079216545
Energy: 0.616325233066502
Energy: 0.6050739548627343
Energy: 0.6979330747212289
Energy: 0.6351302471693813
Energy: 0.6979330747212289
Energy: 0.6788512963456922
Energy: 0.6312084467678941
Energy: 0.6031091178945273
Energy: 0.631208446767288
Energy: 0.6169924465823844
Energy: 0.6171111558054552
Energy: 0.5945780002558609
Energy: 0.6171111558054552
Energy: 0.5954181163268737
Energy: 0.6983487319597605
Energy: 0.7011603490095949
Energy: 0.6983487319597605
Energy: 0.6277381265801157
Energy: 0.6292083526992477
Energy: 0.6073514852897035
Energy: 0.6292083526998538
Energy: 0.6218661121770434
Energy: 0.7158078448468531
Energy: 0.60564991958875
Energy: 0.7158078448468531
Energy: 0.607558487914825
Energy: 0.6143864940053155
Energy: 0.6356627665492661
Energy: 0.6143864940053155
Energy: 0.6224405713375946
Energy: 0.6488761371184243
Energy: 0.6212224336228821
Energy: 0.6488761371184243
Energy: 0.6470385637348688
Energy: 0.6257564716995042
Energy: 0.6337241858905628
Energy: 0.6257564716995042
Energy: 0.6228488414020982
Energy: 0.6498670286456764
Energy: 0.6218835826744975
Energy: 0.6498670286456764
Energy: 0.62542860394092
Energy: 0.6189262356061934
Energy: 0.6306438348154864
Energy: 0.6189262356061934
Energy: 0.6256450900023276
Energy: 0.641321770517505
Energy: 0.6064461307521889
Energy: 0.641321770517505

minimum gb energy = 0.5609385079216545 eV
minimum distance =  2.53577186258101 Angstroms
sigma value = 1


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

Energy: 0.680530406516522
Energy: 0.7139428678073861
Energy: 0.7118272691661874
Energy: 0.7139428678073861
Energy: 0.6487742246744126
Energy: 0.6946165281017205
Energy: 0.6468932379001008
Energy: 0.6946165281017205
Energy: 0.6337743206675648
Energy: 0.670793578431945
Energy: 0.6546140104258109
Energy: 0.6707935784312539
Energy: 0.6101355024600085
Energy: 0.6764249816002065
Energy: 0.6164135197928511
Energy: 0.6764249816002065
Energy: 0.6099148393839771
Energy: 0.658744924602154
Energy: 0.6531145750903334
Energy: 0.6587449246028451
Energy: 0.6639491866261987
Energy: 0.6585429503788448
Energy: 0.6047612177104448
Energy: 0.6585429503788448
Energy: 0.6097866595134156
Energy: 0.7093516358490881
Energy: 0.6251108240577403
Energy: 0.7093516358490881
Energy: 0.5823815029512136
Energy: 0.6702551077734656
Energy: 0.5955597914237805
Energy: 0.6702551077734656
Energy: 0.6093758422049929
Energy: 0.7997237458257517
Energy: 0.6470737859256595
Energy: 0.7997237458257517
Energy: 0.6218874827383322
Energy: 0.6721648090493368
Energy: 0.6710669345783742
Energy: 0.6721648090493368
Energy: 0.6193044337425099
Energy: 0.6614180858896322
Energy: 0.6475933331534515
Energy: 0.6614180858896322
Energy: 0.5967935267499891
Energy: 0.7084556789472729
Energy: 0.6546246811211702
Energy: 0.7084556789472729
Energy: 0.6571388974040656
Energy: 0.654189992096263
Energy: 0.6272444404673638
Energy: 0.654189992095572
Energy: 0.6569572663061384
Energy: 0.6540351310945244
Energy: 0.6764280243078832
Energy: 0.6540351310945244
Energy: 0.5966340540972803
Energy: 0.6877171434130817
Energy: 0.6395601321598363
Energy: 0.6877171434130817
Energy: 0.6192431160958406
Energy: 0.6613451071133617
Energy: 0.6309605246116926
Energy: 0.6613451071133617
Energy: 0.6218720464498667
Energy: 0.6719544026292914
Energy: 0.6226440023747899
Energy: 0.6719544026292914
Energy: 0.6092896004862095
Energy: 0.7997295898711863
Energy: 0.6470823757777885
Energy: 0.7997295898711863
Energy: 0.5823823129516812
Energy: 0.6700094609112439
Energy: 0.6106096322752451
Energy: 0.6700094609112439
Energy: 0.6486803542750911
Energy: 0.7094122311541814
Energy: 0.6173942256912046
Energy: 0.7094122311541814
Energy: 0.6639233526099962
Energy: 0.6577960596550456
Energy: 0.624992419124032
Energy: 0.6577960596557366
Energy: 0.6099943553909589
Energy: 0.6588161443895179
Energy: 0.6489595745969451
Energy: 0.658816144390209
Energy: 0.6101357656418479
Energy: 0.6762840408936223
Energy: 0.6303179790557483
Energy: 0.6762840408936223
Energy: 0.6337974051411386
Energy: 0.6708767083266673
Energy: 0.6394743417358665
Energy: 0.6708767083266673
Energy: 0.6488434140379532
Energy: 0.6945141901634501
Energy: 0.6470970530370215
Energy: 0.6945141901627591
Energy: 0.6805304065158309
Energy: 0.7139428678073861
Energy: 0.7508101365719518
Energy: 0.7139428678073861
Energy: 0.6487742246744126
Energy: 0.6946165281017205
Energy: 0.6468932378994098
Energy: 0.6946165281017205
Energy: 0.6337743206675648
Energy: 0.670793578431945
Energy: 0.6654664819837784
Energy: 0.670793578431945
Energy: 0.6101355024600085
Energy: 0.6764249816002065
Energy: 0.6164135197928511
Energy: 0.6764249816002065

minimum gb energy = 0.5823815029512136 eV
minimum distance =  2.515303097597 Angstroms
sigma value = 25


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

Energy: 0.6531668323036037
Energy: 0.6954084416322451
Energy: 0.735264687033722
Energy: 0.6954084416322451
Energy: 0.635990430625993
Energy: 0.7106393563691863
Energy: 0.634935496670666
Energy: 0.7106393563691863
Energy: 0.6632817299246532
Energy: 0.7435631495288811
Energy: 0.6347965553515953
Energy: 0.7435631495288811
Energy: 0.6383059903715165
Energy: 0.7301236526232697
Energy: 0.6329687958881117
Energy: 0.7301236526232697
Energy: 0.6342099735002972
Energy: 0.7008579176732092
Energy: 0.6320600005123669
Energy: 0.7008579176732092
Energy: 0.6971497929916839
Energy: 0.744457273855732
Energy: 0.7423273387680196
Energy: 0.7444572738565352
Energy: 0.6476697845021364
Energy: 0.7274358591915926
Energy: 0.6379443690286484
Energy: 0.7274358591915926
Energy: 0.7664129056610764
Energy: 0.6966746322777344
Energy: 0.6056910914513034
Energy: 0.6966746322777344
Energy: 0.6482998617285144
Energy: 0.6710198347656087
Energy: 0.6476444802387904
Energy: 0.6710198347648053
Energy: 0.6368067051352582
Energy: 0.721736566649561
Energy: 0.6189435903010265
Energy: 0.721736566649561
Energy: 0.6376350346962765
Energy: 0.6942617116177625
Energy: 0.6351810542510724
Energy: 0.6942617116177625
Energy: 0.6326775892409896
Energy: 0.6952155771236073
Energy: 0.6347515248119855
Energy: 0.6952155771236073
Energy: 0.6346948308643202
Energy: 0.7051101222811597
Energy: 0.6197770054513863
Energy: 0.7051101222811597
Energy: 0.6482869949076927
Energy: 0.7066497636273368
Energy: 0.6359398864707636
Energy: 0.7066497636273368
Energy: 0.6291876800013527
Energy: 0.7019394105243314
Energy: 0.6043485903566906
Energy: 0.7019394105243314
Energy: 0.6355916096732417
Energy: 0.8387320090385546
Energy: 0.624326307623235
Energy: 0.8387320090385546
Energy: 0.6069812389539326
Energy: 0.7464858228954231
Energy: 0.6034524212789742
Energy: 0.7464858228946198
Energy: 0.6332352035451372
Energy: 0.6963196995899488
Energy: 0.638701541584579
Energy: 0.6963196995899488
Energy: 0.619488637938783
Energy: 0.7294262340401633
Energy: 0.6337293637549671
Energy: 0.7294262340401633
Energy: 0.6351413918626292
Energy: 0.7442656974049814
Energy: 0.6356643143932428
Energy: 0.7442656974049814
Energy: 0.6511878339222351
Energy: 0.7093909674922538
Energy: 0.6384652779792646
Energy: 0.7093909674922538
Energy: 0.6504318674838209
Energy: 0.7000629500111843
Energy: 0.7041418049800621
Energy: 0.7000629500119876
Energy: 0.6475248249212797
Energy: 0.6854627311053525
Energy: 0.6350645918541685
Energy: 0.6854627311053525
Energy: 0.6667469841985958
Energy: 0.7267425468494533
Energy: 0.6367329790639068
Energy: 0.7267425468494533
Energy: 0.636056221555555
Energy: 0.8064447423960666
Energy: 0.6233180879260004
Energy: 0.8064447423952634

minimum gb energy = 0.6034524212789742 eV
minimum distance =  2.54533083142495 Angstroms
sigma value = 9


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

Energy: 0.6664462247373137
Energy: 0.7283835270944461
Energy: 0.7782134006191471
Energy: 0.7283835270944461
Energy: 0.6533087332142108
Energy: 0.7100047223110613
Energy: 0.6639681616540953
Energy: 0.7100047223110613
Energy: 0.6212677977695436
Energy: 0.7312860446515818
Energy: 0.6592639085918343
Energy: 0.7312860446515818
Energy: 0.7870414782475315
Energy: 0.7991152136619879
Energy: 0.6311592708813496
Energy: 0.7991152136619879
Energy: 0.736967324577233
Energy: 0.7013028755618186
Energy: 0.6594184315792877
Energy: 0.7013028755618186
Energy: 0.6212082448399956
Energy: 0.7589781454759208
Energy: 0.6254516896718686
Energy: 0.7589781454759208
Energy: 0.6617172655672314
Energy: 0.6298529986981319
Energy: 0.6291774564583413
Energy: 0.6298529986981319
Energy: 0.7462171348973169
Energy: 0.7586673284300551
Energy: 0.6249995012796877
Energy: 0.7586673284300551
Energy: 0.6630602231949216
Energy: 0.7084183004500942
Energy: 0.7106342822930687
Energy: 0.7084183004500942
Energy: 0.6574958550166902
Energy: 0.7546722251541279
Energy: 0.6306750542254684
Energy: 0.7546722251541279
Energy: 0.63842498337078
Energy: 0.7207802404967522
Energy: 0.6541070546400537
Energy: 0.7207802404967522
Energy: 0.6619881977422428
Energy: 0.7030737693344606
Energy: 0.6308602766898642
Energy: 0.7030737693344606
Energy: 0.6209418351549256
Energy: 0.7316804369657822
Energy: 0.6562204170124394
Energy: 0.7316804369657822
Energy: 0.6594751105375133
Energy: 0.658410084451913
Energy: 0.6620990780641999
Energy: 0.6584100844528713
Energy: 0.6209193779481273
Energy: 0.7813885257585117
Energy: 0.6877420931716215
Energy: 0.7813885257585117
Energy: 0.6619073739987555
Energy: 0.7019380597795305
Energy: 0.6317772535437787
Energy: 0.7019380597804886
Energy: 0.6384376709584042
Energy: 0.7187692484129765
Energy: 0.6595260955527352
Energy: 0.7187692484129765
Energy: 0.6574508995508563
Energy: 0.7546995270861283
Energy: 0.6306902416567866
Energy: 0.7546995270861283
Energy: 0.663148699645373
Energy: 0.7084232780922582
Energy: 0.6594689246272026
Energy: 0.7084232780922582
Energy: 0.7462104525148473
Energy: 0.758806926936857
Energy: 0.6249892025864446
Energy: 0.758806926936857
Energy: 0.6618626166746976
Energy: 0.6298343237687198
Energy: 0.6292572897123009
Energy: 0.6298343237677616

minimum gb energy = 0.6209193779481273 eV
minimum distance =  2.64084217127381 Angstroms
sigma value = 25


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

Energy: 0.6308196329377973
Energy: 0.7340228205419963
Energy: 0.8650042352591467
Energy: 0.7340228205419963
Energy: 0.6209798671925323
Energy: 0.6903858778068878
Energy: 0.6231890447597805
Energy: 0.6903858778080727
Energy: 0.6223361415732823
Energy: 0.7322200598798705
Energy: 0.625362454432644
Energy: 0.7322200598798705
Energy: 0.6334757341109876
Energy: 0.7178250178559681
Energy: 0.7720305088110737
Energy: 0.7178250178559681
Energy: 0.7436621832075709
Energy: 0.6954978222006463
Energy: 0.6221406047331705
Energy: 0.6954978222006463
Energy: 0.6219634403133423
Energy: 0.7575195979821433
Energy: 0.6233138297017998
Energy: 0.7575195979821433
Energy: 0.6568839678476596
Energy: 0.7089376599008808
Energy: 0.6225576280972936
Energy: 0.7089376599008808
Energy: 0.7807577180372598
Energy: 0.7352162189678453
Energy: 0.6341502006232514
Energy: 0.7352162189678453
Energy: 0.6252341301828268
Energy: 0.6905145757542522
Energy: 0.622921461074398
Energy: 0.6905145757542522
Energy: 0.7719506927137195
Energy: 0.708000299121724
Energy: 0.6219451180342971
Energy: 0.708000299121724
Energy: 0.7558617690646714
Energy: 0.7336448282221941
Energy: 0.8624609563057234
Energy: 0.7336448282221941
Energy: 0.6228291720668041
Energy: 0.6383287499550182
Energy: 0.7469171849900527
Energy: 0.6383287499810893
Energy: 0.7769090622407302
Energy: 0.7338488493484637
Energy: 0.6231699581456294
Energy: 0.7338488493472787
Energy: 0.6853489111096329
Energy: 0.6964563837080737
Energy: 0.6332771114353362
Energy: 0.6964563837068888
Energy: 0.6239156674358104
Energy: 0.7479362802384341
Energy: 0.7400378799514494
Energy: 0.7479362802384341
Energy: 0.6254243178350534
Energy: 0.7054142370813471
Energy: 0.6219324155312494
Energy: 0.7054142370813471
Energy: 0.6238332259036481
Energy: 0.7353965377323514
Energy: 0.7451559782113982
Energy: 0.7353965377323514

minimum gb energy = 0.6209798671925323 eV
minimum distance =  2.58753455146293 Angstroms
sigma value = 17


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

Energy: 0.7150310698864557
Energy: 0.7713922356072593
Energy: 0.927955593190984
Energy: 0.7713922356072593
Energy: 0.7444528256866138
Energy: 0.6797787450285945
Energy: 0.6703923325086822
Energy: 0.6797787450285945
Energy: 0.7489284288280508
Energy: 0.7615944916352545
Energy: 0.6461971796954021
Energy: 0.7615944916352545
Energy: 0.6423249599003436
Energy: 0.7829252123724646
Energy: 0.735644991302432
Energy: 0.7829252123724646
Energy: 0.7622151991435243
Energy: 0.7536560048257783
Energy: 0.6712080779162152
Energy: 0.7536560048257783
Energy: 0.6439023318331634
Energy: 0.754317359342085
Energy: 0.8890501353772418
Energy: 0.7543173593414139
Energy: 0.6418482018421514
Energy: 0.7167390474016309
Energy: 0.6689811157474544
Energy: 0.7167390474016309
Energy: 0.750992221891608
Energy: 0.7683155901255395
Energy: 0.6448010986316983
Energy: 0.7683155901255395
Energy: 0.6461942112095764
Energy: 0.7460457175100973
Energy: 0.7687063301673689
Energy: 0.7460457175100973
Energy: 0.8169597709403241
Energy: 0.7285821323742726
Energy: 0.6435500535993456
Energy: 0.7285821323742726
Energy: 0.6411700717489337
Energy: 0.7631773477119985
Energy: 0.7424029130889226
Energy: 0.7631773477119985
Energy: 0.6449748335696671
Energy: 0.7160237799439364
Energy: 0.659377043192701
Energy: 0.7160237799432653
Energy: 0.8632010329139729
Energy: 0.76394354237347
Energy: 0.6916194035510532
Energy: 0.76394354237347
Energy: 0.6437078289587523
Energy: 0.7800263050900887
Energy: 0.7441190514071357
Energy: 0.7800263050894176
Energy: 0.7157119504042134
Energy: 0.7033122837111764
Energy: 0.6467536603938087
Energy: 0.7033122837111764
Energy: 0.7442073116938925
Energy: 0.7486959685627828
Energy: 0.75091535459944
Energy: 0.7486959685627828
Energy: 0.6665455293138942
Energy: 0.7203841757720059
Energy: 0.8047324705212403
Energy: 0.7203841757720059
Energy: 0.8555868053049868
Energy: 0.7434180382648256
Energy: 0.6439880128045307
Energy: 0.7434180382648256
Energy: 0.6669556881847923
Energy: 0.7206946445588046
Energy: 0.7088540083555462
Energy: 0.7206946445594757
Energy: 0.6896217576131624
Energy: 0.7653874590605566
Energy: 0.6428748497570704
Energy: 0.7653874590592142
Energy: 0.7021511315864273
Energy: 0.7640719637496669
Energy: 0.7486483202596712
Energy: 0.7640719637496669
Energy: 0.6691383573048331
Energy: 0.7574252395817593
Energy: 0.8213289553200739
Energy: 0.7574252395817593
Energy: 0.7987925417869642
Energy: 0.7879164183914842
Energy: 0.6418106393956333
Energy: 0.7879164183914842
Energy: 0.6901495556866046
Energy: 0.703592586715624
Energy: 0.7516140125394399
Energy: 0.703592586715624
Energy: 0.6884344629764723
Energy: 0.779490302414586
Energy: 0.7307464165292663
Energy: 0.779490302414586
Energy: 0.7978269112713162
Energy: 0.7829790337250254
Energy: 0.6428874458648016
Energy: 0.7829790337256964
Energy: 0.6706832288163749
Energy: 0.7633536970182423
Energy: 0.8434588207475625
Energy: 0.7633536970182423
Energy: 0.7520001963674283
Energy: 0.7674816520659636
Energy: 0.7463668246673523
Energy: 0.7674816520666348
Energy: 0.7832320770423196
Energy: 0.807734273003765
Energy: 0.641772897423642
Energy: 0.807734273003765
Energy: 0.6446146320294427
Energy: 0.7594345011481417
Energy: 0.8577380848148651
Energy: 0.7594345011481417

minimum gb energy = 0.6411700717489337 eV
minimum distance =  2.51334580703829 Angstroms
sigma value = 53


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

Energy: 0.6029406801483395
Energy: 0.7481708782363553
Energy: 0.8546828644399398
Energy: 0.7481708782363553
Energy: 0.7481255785590145
Energy: 0.6682558470168198
Energy: 0.6833957050583319
Energy: 0.6682558470168198
Energy: 0.6034531539059802
Energy: 0.678546617232775
Energy: 0.7780194531443858
Energy: 0.678546617232775
Energy: 0.6034168805518785
Energy: 0.6034401934876413
Energy: 0.6790038267228056
Energy: 0.6034401934876413
Energy: 0.7481033520514476
Energy: 0.6682716382407164
Energy: 0.6652486422619629
Energy: 0.6682716382391714
Energy: 0.6029406801483395
Energy: 0.7481708782363553
Energy: 0.8542195447353188
Energy: 0.7481708782348101
Energy: 0.7481248197516417
Energy: 0.6682558470152747
Energy: 0.7355137889400117
Energy: 0.6682558470168198
Energy: 0.6034531538967093
Energy: 0.678546617232775
Energy: 0.7780194531289347
Energy: 0.678546617232775
Energy: 0.6034168805703849
Energy: 0.6034401934891865
Energy: 0.7355182473074897
Energy: 0.6034401934891865
Energy: 0.7481017801357195
Energy: 0.6682716382407164
Energy: 0.7326495073293604
Energy: 0.6682716382407164
Energy: 0.6029406801483395
Energy: 0.7481708782363553
Energy: 0.914384659633227
Energy: 0.7481708782363553
Energy: 0.7481243688349357
Energy: 0.6682558470168198
Energy: 0.7354808399517305
Energy: 0.6682558470168198
Energy: 0.6034531538997996
Energy: 0.678546617232775
Energy: 0.7780194531521115
Energy: 0.678546617232775

minimum gb energy = 0.6029406801483395 eV
minimum distance =  2.55367800236103 Angstroms
sigma value = 9


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

Energy: 0.689948159560424
Energy: 0.7597566595246811
Energy: 0.9382265382156579
Energy: 0.7597566595241093
Energy: 0.7947375325854874
Energy: 0.7119194461461665
Energy: 0.705709254954889
Energy: 0.7119194461461665
Energy: 0.6546298405307237
Energy: 0.713700982448531
Energy: 0.6743104059693265
Energy: 0.713700982448531
Energy: 0.755699282036052
Energy: 0.761149523907821
Energy: 0.6627941150812569
Energy: 0.761149523907821
Energy: 0.8536647829592798
Energy: 0.7310817731359589
Energy: 0.6718447959028184
Energy: 0.7310817731359589
Energy: 0.6850463729083609
Energy: 0.7404038375132691
Energy: 0.8765840575724204
Energy: 0.7404038375132691
Energy: 0.8806088560305257
Energy: 0.7402766810952823
Energy: 0.6916675160187374
Energy: 0.7402766810952823
Energy: 0.6546909492432641
Energy: 0.7743447187524953
Energy: 0.7642352069222863
Energy: 0.7743447187524953
Energy: 0.6564597744900345
Energy: 0.7746330172199183
Energy: 0.6869453788317816
Energy: 0.7746330172199183
Energy: 0.6546612575686084
Energy: 0.7305950198366449
Energy: 0.670053082465394
Energy: 0.7305950198366449
Energy: 0.6562882221647968
Energy: 0.7627592061198548
Energy: 0.8726250683751169
Energy: 0.7627592061198548
Energy: 0.7933847833051788
Energy: 0.7846930512182874
Energy: 0.6594533547201856
Energy: 0.7846930512182874
Energy: 0.6570508408745883
Energy: 0.7607672800762367
Energy: 0.8084738086007462
Energy: 0.7607672800762367
Energy: 0.7426309025456106
Energy: 0.7744225535075976
Energy: 0.6897021766564242
Energy: 0.7744225535075976
Energy: 0.6558982196278126
Energy: 0.75769384664324
Energy: 0.7455880462913095
Energy: 0.75769384664324
Energy: 0.6595049470168142
Energy: 0.7750881434666264
Energy: 0.7648278253633263
Energy: 0.7750881434666264
Energy: 0.7039491371945894
Energy: 0.7227851550945603
Energy: 0.6563052891424401
Energy: 0.7227851550945603
Energy: 0.6584695531021606
Energy: 0.7579981800567814
Energy: 0.8746740752770923
Energy: 0.7579981800573533
Energy: 0.7647279773212834
Energy: 0.7475055642356518
Energy: 0.6854966730842419
Energy: 0.7475055642362237
Energy: 0.6591398104986596
Energy: 0.7287086777452882
Energy: 0.7269521203699513
Energy: 0.7287086777452882
Energy: 0.760443955261023
Energy: 0.7659865284329971
Energy: 0.7568270368837776
Energy: 0.7659865284329971
Energy: 0.7114310269789142
Energy: 0.7493632776227049
Energy: 0.655499647922498
Energy: 0.7493632776227049
Energy: 0.686814127288192
Energy: 0.7522417577324357
Energy: 0.6582262381794419
Energy: 0.7522417577324357
Energy: 0.8636175826509753
Energy: 0.7546419104080652
Energy: 0.6543198814327965
Energy: 0.7546419104074934
Energy: 0.6759106766985556
Energy: 0.8258976720719367
Energy: 0.850467264776506
Energy: 0.8258976720719367
Energy: 0.716306123971372
Energy: 0.7530832184633658
Energy: 0.6554336235079024
Energy: 0.7530832184633658
Energy: 0.7259841431364783
Energy: 0.7513756899347137
Energy: 0.7449333287432457
Energy: 0.7513756899347137
Energy: 0.6873871507176743
Energy: 0.7702512091711919
Energy: 0.7457171560308878
Energy: 0.7702512091711919
Energy: 0.7289970162917249
Energy: 0.7357126249477361
Energy: 0.6546986484190344
Energy: 0.7357126249477361
Energy: 0.7055608908930056
Energy: 0.902898555740081
Energy: 0.8506288952537152
Energy: 0.902898555740081
Energy: 0.8718771422927607
Energy: 0.7531679735188774
Energy: 0.6535985912568454
Energy: 0.7531679735194494
Energy: 0.6735993297629285
Energy: 0.7500858243554854
Energy: 0.6560547470283515
Energy: 0.7500858243554854
Energy: 0.6813893131884956
Energy: 0.7654221558393687
Energy: 0.654757600963823
Energy: 0.7654221558393687
Energy: 0.7626201654504711
Energy: 0.7647622175175354
Energy: 0.7559877581349631
Energy: 0.7647622175181071
Energy: 0.6743077018806943
Energy: 0.7669746336838518
Energy: 0.876830371047004
Energy: 0.7669746336838518

minimum gb energy = 0.6535985912568454 eV
minimum distance =  2.51579015294203 Angstroms
sigma value = 73


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

Energy: 0.7602955035759288
Energy: 0.7544860122404305
Energy: 0.8991978975945967
Energy: 0.7544860122404305
Energy: 0.6605760016332007
Energy: 0.8265867261825519
Energy: 0.6855306778457162
Energy: 0.8265867261825519
Energy: 0.6478568786587875
Energy: 0.7120495719622588
Energy: 0.6659182459202878
Energy: 0.7120495719622588
Energy: 0.6524917009348792
Energy: 0.7559114641633807
Energy: 0.6679256275085069
Energy: 0.7559114641633807
Energy: 0.7035525176011046
Energy: 0.734597868216151
Energy: 0.6638976920694413
Energy: 0.734597868216151
Energy: 0.6671664889099741
Energy: 0.756753808864039
Energy: 0.8464563872448893
Energy: 0.7567538088649464
Energy: 0.8496139706453872
Energy: 0.8083789519196796
Energy: 0.6480635688117032
Energy: 0.8083789519196796
Energy: 0.6652515311776515
Energy: 0.7259767475819497
Energy: 0.8224439173342463
Energy: 0.7259767475819497
Energy: 0.851482416717594
Energy: 0.7289088596100093
Energy: 0.6955491220759829
Energy: 0.7289088596100093
Energy: 0.6491520517796878
Energy: 0.7293013271284081
Energy: 0.6476236183783678
Energy: 0.7293013271284081
Energy: 0.6681833479282977
Energy: 0.7444813213502653
Energy: 0.7956381495296861
Energy: 0.7444813213502653
Energy: 0.7530338706449551
Energy: 0.7616450805937091
Energy: 0.6528212612274087
Energy: 0.7616450805937091
Energy: 0.6671073302523298
Energy: 0.7489146262066019
Energy: 0.9769611759059763
Energy: 0.7489146262066019
Energy: 0.8619901448463329
Energy: 0.770521908404289
Energy: 0.668219617849709
Energy: 0.770521908404289
Energy: 0.6729149873855733
Energy: 0.7630274286503138
Energy: 0.8214306860746382
Energy: 0.7630274286503138
Energy: 0.8210851897083047
Energy: 0.7445297867330565
Energy: 0.6657619059425512
Energy: 0.7445297867339637
Energy: 0.7214641704159748
Energy: 0.7715133016807973
Energy: 0.6478346080371647
Energy: 0.7715133016807973
Energy: 0.733582094486154
Energy: 0.7477800492782659
Energy: 0.6489806747127367
Energy: 0.7477800492782659
Energy: 0.6510082135311943
Energy: 0.7365500342467711
Energy: 0.6648381335676725
Energy: 0.7365500342467711
Energy: 0.712331814121511
Energy: 0.8377555160616371
Energy: 0.8431606116461007
Energy: 0.8377555160616371
Energy: 0.8379817671169731
Energy: 0.7580798994560717
Energy: 0.6667150146386154
Energy: 0.7580798994569791
Energy: 0.6724798804392129
Energy: 0.7338832948454567
Energy: 0.7464681046184578
Energy: 0.7338832948454567

minimum gb energy = 0.6476236183783678 eV
minimum distance =  2.52194351237923 Angstroms
sigma value = 7


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

Energy: 0.7315450212174464
Energy: 0.7599504752316205
Energy: 0.8837485660104206
Energy: 0.7599504752316205
Energy: 0.7574104092244234
Energy: 0.8206574599269807
Energy: 0.7336012702825051
Energy: 0.8206574599269807
Energy: 0.6867489898782039
Energy: 0.772251798025983
Energy: 0.6939204590250174
Energy: 0.772251798025983
Energy: 0.6805943742156492
Energy: 0.7563847602873212
Energy: 0.6988674259913301
Energy: 0.7563847602873212
Energy: 0.7168031031499573
Energy: 0.748535292279907
Energy: 0.6921974140720205
Energy: 0.7485352922805486
Energy: 0.6781744995853978
Energy: 0.7656535749000664
Energy: 0.8328993564006356
Energy: 0.7656535749000664
Energy: 0.7851756994332598
Energy: 0.8485711323036563
Energy: 0.7127181110121684
Energy: 0.8485711323030147
Energy: 0.6783444290833288
Energy: 0.7511281190149439
Energy: 0.8960364583701661
Energy: 0.7511281190149439
Energy: 0.913399700177677
Energy: 0.7576877771482522
Energy: 0.6790203941543053
Energy: 0.7576877771482522
Energy: 0.7157471901492828
Energy: 0.7603568219817408
Energy: 0.7638379995931278
Energy: 0.7603568219817408
Energy: 0.7089517768195875
Energy: 0.7626929584297991
Energy: 0.7109553913138457
Energy: 0.7626929584297991
Energy: 0.6885474844898484
Energy: 0.7415718146893033
Energy: 0.669929266199627
Energy: 0.7415718146893033
Energy: 0.7160435600173165
Energy: 0.7668276426845648
Energy: 0.6711778332248823
Energy: 0.7668276426845648
Energy: 0.7015914346727994
Energy: 0.7647081434870043
Energy: 0.670142608475405
Energy: 0.7647081434870043
Energy: 0.7096025550720574
Energy: 0.7536965665594397
Energy: 0.761146120779614
Energy: 0.7536965665594397
Energy: 0.8934031668066414
Energy: 0.7477458142338966
Energy: 0.6759748734126586
Energy: 0.7477458142338966
Energy: 0.6998448274621974
Energy: 0.726491665014527
Energy: 0.716022157268206
Energy: 0.726491665014527
Energy: 0.6838943845684633
Energy: 0.8134101059372968
Energy: 0.6701792083971344
Energy: 0.8134101059372968
Energy: 0.6977583704095541
Energy: 0.7713593791952936
Energy: 0.673005286544687
Energy: 0.771359379194652
Energy: 0.7140403826723513
Energy: 0.7355616793801617
Energy: 0.6703417411916373
Energy: 0.7355616793795201
Energy: 0.8617743988501066
Energy: 0.7593091043010701
Energy: 0.6792741511459468
Energy: 0.7593091043010701
Energy: 0.6858318129875806
Energy: 0.769673324846761
Energy: 0.7819414051041517
Energy: 0.769673324846761
Energy: 0.822315950958538
Energy: 0.7615801557088376
Energy: 0.675259086486065
Energy: 0.7615801557088376
Energy: 0.7327904402537484
Energy: 0.749701818093681
Energy: 0.8569071185063618
Energy: 0.749701818093681
Energy: 0.6914199609491696
Energy: 0.7350858178817219
Energy: 0.6724425305097521
Energy: 0.7350858178817219
Energy: 0.6806003944670518
Energy: 0.772754165292649
Energy: 0.7039222267857913
Energy: 0.772754165292649
Energy: 0.7162377746237499
Energy: 0.7554726688818586
Energy: 0.746443596948906
Energy: 0.7554726688818586
Energy: 0.6808662175401294
Energy: 0.7264171050329176
Energy: 0.6844921156012672
Energy: 0.7264171050329176
Energy: 0.6752137274710468
Energy: 0.7568071600102515
Energy: 0.8253270077823699
Energy: 0.7568071600102515
Energy: 0.711787492986989
Energy: 0.6901136260783708
Energy: 0.7506050618380734
Energy: 0.6901136260783708
Energy: 0.6752186251550304
Energy: 0.7568509617812921
Energy: 0.8074084896396879
Energy: 0.7568509617812921

minimum gb energy = 0.669929266199627 eV
minimum distance =  2.49173346873773 Angstroms
sigma value = 29


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

Energy: 0.6526307047490637
Energy: 0.7206679933242575
Energy: 0.7268318335801338
Energy: 0.7206679933242575
Energy: 0.6459219566036322
Energy: 0.6785730984381165
Energy: 0.6873319381548628
Energy: 0.6785730984381165
Energy: 0.6751900533322774
Energy: 0.7089670130954289
Energy: 0.6726110713168922
Energy: 0.7089670130954289
Energy: 0.6542839140856456
Energy: 0.6878982960870476
Energy: 0.6535283393689274
Energy: 0.687898296086849
Energy: 0.6534788038274858
Energy: 0.6836814573284616
Energy: 0.6724535179139913
Energy: 0.6836814573284616
Energy: 0.6603469882664114
Energy: 0.7151034077980922
Energy: 0.6603163329286376
Energy: 0.7151034077980922
Energy: 0.6731082559512275
Energy: 0.6836800801433368
Energy: 0.6534755589150782
Energy: 0.6836800801433368
Energy: 0.6535419179833872
Energy: 0.687921969735764
Energy: 0.6542787643065383
Energy: 0.6879219697355405
Energy: 0.6727145841824719
Energy: 0.7089346953862726
Energy: 0.659876554902993
Energy: 0.708934695386496

minimum gb energy = 0.6459219566036322 eV
minimum distance =  2.56748714691925 Angstroms
sigma value = 5


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

Energy: 0.6660848756417161
Energy: 0.7142086372013691
Energy: 0.763721090958117
Energy: 0.7142086372013691
Energy: 0.7547819620908661
Energy: 0.7867206045267929
Energy: 0.6412694562277316
Energy: 0.7867206045261868
Energy: 0.6330638367799165
Energy: 0.7386393019174943
Energy: 0.8005907292121592
Energy: 0.7386393019174943
Energy: 0.650679523903657
Energy: 0.7365807454140515
Energy: 0.6543633848990187
Energy: 0.7365807454140515
Energy: 0.6487681313398544
Energy: 0.7646956624233114
Energy: 0.7340144536660757
Energy: 0.7646956624239175
Energy: 0.7092475220114769
Energy: 0.7616833643773341
Energy: 0.6529586477907595
Energy: 0.7616833643773341
Energy: 0.6462060523728362
Energy: 0.7208546067327146
Energy: 0.6496037878123542
Energy: 0.7208546067333207
Energy: 0.6500901842793269
Energy: 0.7798641323428172
Energy: 0.6556629990634051
Energy: 0.7798641323422111
Energy: 0.6491179112600683
Energy: 0.7822418762965454
Energy: 0.6468223783208055
Energy: 0.7822418762965454
Energy: 0.6477233747659769
Energy: 0.7229297069287521
Energy: 0.6560665722829777
Energy: 0.7229297069287521
Energy: 0.672160594584293
Energy: 0.8186343099334562
Energy: 0.6352044502864962
Energy: 0.8186343099334562
Energy: 0.6449291136672374
Energy: 0.7710296020534327
Energy: 0.7080684586141623
Energy: 0.7710296020534327
Energy: 0.7000700953086195
Energy: 0.7465027159727016
Energy: 0.7041935506183551
Energy: 0.7465027159720955
Energy: 0.6418183078800722
Energy: 0.7788206679906657
Energy: 0.7471676716659144
Energy: 0.7788206679906657
Energy: 0.6706611466775947
Energy: 0.7664993465433902
Energy: 0.639552362871179
Energy: 0.7664993465433902
Energy: 0.6568946033408081
Energy: 0.7321177588500705
Energy: 0.6980277989133215
Energy: 0.7321177588500705
Energy: 0.7601272876161095
Energy: 0.7600157368620546
Energy: 0.6393716476662563
Energy: 0.7600157368620546
Energy: 0.6366990624043305
Energy: 0.7399456743859115
Energy: 0.7438733299346819
Energy: 0.7399456743859115
Energy: 0.638277487557425
Energy: 0.7304918827200537
Energy: 0.6542873408521337
Energy: 0.7304918827200537
Energy: 0.6483659289881227
Energy: 0.8378053136691093
Energy: 0.6796159592958652
Energy: 0.8378053136691093
Energy: 0.6467301184058043
Energy: 0.7866550634015803
Energy: 0.6562866790031496
Energy: 0.7866550634015803
Energy: 0.6507186804596621
Energy: 0.7192452891985589
Energy: 0.6505979471789191
Energy: 0.719245289199771
Energy: 0.6438458227688573
Energy: 0.7889870190052028
Energy: 0.6488819131448912
Energy: 0.7889870190052028
Energy: 0.7031330551768897
Energy: 0.7554481041493336
Energy: 0.648267504193738
Energy: 0.7554481041493336
Energy: 0.7103725888731034
Energy: 0.7141907437878535
Energy: 0.6543519546256378
Energy: 0.7141907437878535
Energy: 0.6758080824388033
Energy: 0.7608226372986973
Energy: 0.6505561603793529
Energy: 0.7608226372986973
Energy: 0.6438745550501858
Energy: 0.7387640560677431
Energy: 0.6863193694600812
Energy: 0.7387640560677431
Energy: 0.7151112274910191
Energy: 0.8235570296212658
Energy: 0.6568960951778869
Energy: 0.8235570296212658
Energy: 0.6392413396263874
Energy: 0.8430785036372117
Energy: 0.759688921686759
Energy: 0.8430785036372117
Energy: 0.7663894387252917
Energy: 0.7641177269830857
Energy: 0.6367788479639036
Energy: 0.7641177269824795
Energy: 0.6515074784110073
Energy: 0.6991888188279478
Energy: 0.7406896353940428
Energy: 0.6991888188273417
Energy: 0.7706268798643675
Energy: 0.8021777766575634
Energy: 0.6383861381892376
Energy: 0.8021777766575634
Energy: 0.6590169191585534
Energy: 0.8219832368101035
Energy: 0.8120631492061987
Energy: 0.8219832368101035

minimum gb energy = 0.6330638367799165 eV
minimum distance =  2.50664558366451 Angstroms
sigma value = 1


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

Energy: 0.752724485878933
Energy: 0.7474708206718598
Energy: 0.7845540212582134
Energy: 0.7474708206710218
Energy: 0.68169469501349
Energy: 0.8423228732206295
Energy: 0.6186613722147439
Energy: 0.8423228732206295
Energy: 0.6289351084079345
Energy: 0.724782412923496
Energy: 0.7450273138555228
Energy: 0.724782412923496
Energy: 0.6238342237040412
Energy: 0.7732997166411008
Energy: 0.6332840860462882
Energy: 0.7732997166411008
Energy: 0.6208885812710895
Energy: 0.7562625207894806
Energy: 0.7422489282168605
Energy: 0.7562625207894806
Energy: 0.6196081836980123
Energy: 0.7858477180068159
Energy: 0.6333822598816587
Energy: 0.7858477180068159
Energy: 0.6350413861492863
Energy: 0.7174431470539172
Energy: 0.6876048796455445
Energy: 0.7174431470539172
Energy: 0.6281576671822
Energy: 0.7017222062220011
Energy: 0.6463790354311179
Energy: 0.7017222062220011
Energy: 0.6873276873163058
Energy: 0.7049055764583344
Energy: 0.667237269960953
Energy: 0.7049055764583344
Energy: 0.686940274928998
Energy: 0.7187435255565632
Energy: 0.6662923619294895
Energy: 0.7187435255565632
Energy: 0.6278898892817223
Energy: 0.7175657037447053
Energy: 0.6453254173812673
Energy: 0.7175657037447053
Energy: 0.6274364810075158
Energy: 0.7446477016282038
Energy: 0.7265438135836505
Energy: 0.7446477016282038
Energy: 0.6142868061319924
Energy: 0.7984548219091107
Energy: 0.6350079793766974
Energy: 0.7984548219082727
Energy: 0.6123681123776862
Energy: 0.7432220462531303
Energy: 0.7472847484654905
Energy: 0.7432220462531303
Energy: 0.6738951759978566
Energy: 0.7395538977076672
Energy: 0.6415412037281867
Energy: 0.7395538977076672
Energy: 0.6289599396079945
Energy: 0.7010303388752748
Energy: 0.683570461801256
Energy: 0.7010303388752748
Energy: 0.7235849081436801
Energy: 0.8446518934553755
Energy: 0.6158591484550799
Energy: 0.8446518934553755
Energy: 0.752724485878933
Energy: 0.7474708206710218
Energy: 0.7845541615706425
Energy: 0.7474708206718598
Energy: 0.68169469501349
Energy: 0.8423228732206295
Energy: 0.6186613722147439
Energy: 0.8423228732214675
Energy: 0.6289351084079345
Energy: 0.724782412923496
Energy: 0.7450273138555228
Energy: 0.724782412923496
Energy: 0.6238342237040412
Energy: 0.7732997166419389
Energy: 0.6332840860462882
Energy: 0.7732997166411008
Energy: 0.6208885812710895
Energy: 0.7562625207894806
Energy: 0.7422489282168605
Energy: 0.7562625207894806
Energy: 0.6196081836980123
Energy: 0.7858477180068159
Energy: 0.6333822598808209
Energy: 0.7858477180068159
Energy: 0.6350413861492863
Energy: 0.7174431470539172
Energy: 0.7341022381730065
Energy: 0.7174431470547552

minimum gb energy = 0.6123681123776862 eV
minimum distance =  2.54012119371503 Angstroms
sigma value = 17


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

Energy: 0.6656593722674228
Energy: 0.6662911760072383
Energy: 0.7703255629360369
Energy: 0.6662911760077563
Energy: 0.8046776874634562
Energy: 0.7744455448187276
Energy: 0.6282086846883939
Energy: 0.7744455448182096
Energy: 0.6303834402962694
Energy: 0.6932007541997253
Energy: 0.7951485166129578
Energy: 0.6932007542002432
Energy: 0.6937577705769777
Energy: 0.7341619288374869
Energy: 0.6238075309529096
Energy: 0.7341619288374869
Energy: 0.6294126754790083
Energy: 0.7537901071086438
Energy: 0.7568098596906409
Energy: 0.7537901071081259
Energy: 0.6361728323048944
Energy: 0.8268397532750195
Energy: 0.6293961115823529
Energy: 0.8268397532750195
Energy: 0.6338895041648938
Energy: 0.726265934620668
Energy: 0.6812008902515336
Energy: 0.72626593462015
Energy: 0.6256975185525502
Energy: 0.730442044469036
Energy: 0.630748577568766
Energy: 0.730442044469554
Energy: 0.6732755089180511
Energy: 0.7419190359027132
Energy: 0.6721371699454697
Energy: 0.7419190359021952
Energy: 0.673773869275879
Energy: 0.8051684099666863
Energy: 0.6352784395359232
Energy: 0.8051684099672042
Energy: 0.6319800890594474
Energy: 0.7870016936044502
Energy: 0.6352286691779263
Energy: 0.7870016936044502
Energy: 0.6338731985442224
Energy: 0.6739970937505271
Energy: 0.6341452665981739
Energy: 0.6739970937505271
Energy: 0.6332369327954094
Energy: 0.8046328072516016
Energy: 0.6285438139950805
Energy: 0.8046328072516016
Energy: 0.6358634911250927
Energy: 0.7483428369621432
Energy: 0.6857385823157178
Energy: 0.7483428369621432
Energy: 0.6352594841660435
Energy: 0.7716481256725866
Energy: 0.6724777214656469
Energy: 0.7716481256725866
Energy: 0.6324237479157473
Energy: 0.7279846212823707
Energy: 0.7459940138995561
Energy: 0.7279846212818528
Energy: 0.6619351631187075
Energy: 0.7292394611580629
Energy: 0.6284330529904654
Energy: 0.7292394611580629
Energy: 0.6184027652195168
Energy: 0.6973721779574691
Energy: 0.6539588726862336
Energy: 0.6973721779574691
Energy: 0.7507443176666947
Energy: 0.7936200347687467
Energy: 0.6286338200949049
Energy: 0.7936200347692647
Energy: 0.6233389919958476
Energy: 0.6614164359092821
Energy: 0.799861680785727
Energy: 0.6614164359087642
Energy: 0.8472573741391679
Energy: 0.7174612648077099
Energy: 0.6238785350376967
Energy: 0.7174612648082278
Energy: 0.623728205874265
Energy: 0.747826665249961
Energy: 0.7156161143402298
Energy: 0.747826665249961
Energy: 0.848322951894107
Energy: 0.7269666262616814
Energy: 0.6247237792603157
Energy: 0.7269666262616814
Energy: 0.6294890549951603
Energy: 0.7315276799258792
Energy: 0.7698072932623363
Energy: 0.7315276799258792
Energy: 0.6889483035937322
Energy: 0.6973000727936669
Energy: 0.6192187804198277
Energy: 0.6973000727936669
Energy: 0.6295570328793202
Energy: 0.7010363974975938
Energy: 0.6603845548862931
Energy: 0.7010363974975938
Energy: 0.7238055797515557
Energy: 0.8104002144508805
Energy: 0.6307144366665045
Energy: 0.8104002144513985
Energy: 0.6751958197236514
Energy: 0.7604256535331625
Energy: 0.6337415529064806
Energy: 0.7604256535336805
Energy: 0.6823199595914625
Energy: 0.7346291984793955
Energy: 0.6364367688863654
Energy: 0.7346291984793955
Energy: 0.6238574977405951
Energy: 0.7777915813124816
Energy: 0.6802348822589778
Energy: 0.7777915813129996
Energy: 0.6331157306009124
Energy: 0.7066483919304224
Energy: 0.6355073027375366
Energy: 0.7066483919304224
Energy: 0.6309840085907525
Energy: 0.7827418437166864
Energy: 0.6270479921423227
Energy: 0.7827418437161685
Energy: 0.6327392913786583
Energy: 0.7950061484295385
Energy: 0.7459889311932592
Energy: 0.7950061484300565
Energy: 0.6761289194158229
Energy: 0.7431389020607885
Energy: 0.6346061901474005
Energy: 0.7431389020613065
Energy: 0.6299978281512832
Energy: 0.7331110330513232
Energy: 0.6563575975534974
Energy: 0.7331110330513232
Energy: 0.6909061039270676
Energy: 0.7473197649154143
Energy: 0.6301451344857988
Energy: 0.7473197649148964
Energy: 0.6247339682762992
Energy: 0.8236620445538342
Energy: 0.7947458443459489
Energy: 0.8236620445543522
Energy: 0.7805503384913812
Energy: 0.7476460520051774
Energy: 0.6297080288849373
Energy: 0.7476460520046594

minimum gb energy = 0.6184027652195168 eV
minimum distance =  2.53650278105401 Angstroms
sigma value = 89


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

Energy: 0.581226791147866
Energy: 0.5813378020281591
Energy: 0.6572217530301875
Energy: 0.5813378020281591
Energy: 0.5828248794802864
Energy: 0.5964435363334388
Energy: 0.5929069508101091
Energy: 0.5964435363334388
Energy: 0.5906699967566993
Energy: 0.7060819649668485
Energy: 0.6564214400960359
Energy: 0.7060819649668485
Energy: 0.6121203520067444
Energy: 0.5958319406038586
Energy: 0.5928238500953764
Energy: 0.5958319406038586
Energy: 0.5913755333005544
Energy: 0.6700865594770711
Energy: 0.8370706650828899
Energy: 0.6700865594770711
Energy: 0.5908459697412418
Energy: 0.5816004260109385
Energy: 0.584675653340464
Energy: 0.5816004260109385
Energy: 0.5905917551372607
Energy: 0.7070198924292376
Energy: 0.5825153252884372
Energy: 0.7070198924292376
Energy: 0.6311961603342153
Energy: 0.706074555573914
Energy: 0.5927453219136741
Energy: 0.706074555573914
Energy: 0.5910514693559481
Energy: 0.6324373740831347
Energy: 0.6100923909869379
Energy: 0.6324373740831347
Energy: 0.6161701520886912
Energy: 0.669968649618807
Energy: 0.5843335267940813
Energy: 0.669968649618807
Energy: 0.5814637140153017
Energy: 0.5962228344311136
Energy: 0.5904652884855772
Energy: 0.5962228344311136
Energy: 0.5821151299726776
Energy: 0.6680308713379977
Energy: 0.5922678552641699
Energy: 0.6680308713379977
Energy: 0.5910143537337615
Energy: 0.6702900243158608
Energy: 0.5873441917793021
Energy: 0.6702900243158608
Energy: 0.5912100818516628
Energy: 0.6308845976312412
Energy: 0.5912053377982158
Energy: 0.6308845976312412
Energy: 0.6321356007507813
Energy: 0.6703674295943942
Energy: 0.5909901734710904
Energy: 0.6703674295943942

minimum gb energy = 0.581226791147866 eV
minimum distance =  2.55337451416719 Angstroms
sigma value = 13


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

Energy: 0.581463265739362
Energy: 0.7043978173989445
Energy: 0.745970798700174
Energy: 0.7043978173932646
Energy: 0.743873579945034
Energy: 0.7121606894671417
Energy: 0.5691719049059824
Energy: 0.7121606894671417
Energy: 0.5692364023367652
Energy: 0.7358183633270354
Energy: 0.8181761471145552
Energy: 0.7358183633270354
Energy: 0.5730213838510013
Energy: 0.711938602780852
Energy: 0.5705843293632317
Energy: 0.7119386027592938
Energy: 0.5786472425141372
Energy: 0.7581430364125359
Energy: 0.6055396272060831
Energy: 0.7581430364125359
Energy: 0.8303652236867566
Energy: 0.6465473662288752
Energy: 0.5721451736163561
Energy: 0.6465473662283072
Energy: 0.5784817207528989
Energy: 0.7488096593571705
Energy: 0.7077520512309059
Energy: 0.7488096593577385
Energy: 0.5727561018814331
Energy: 0.7418049787194915
Energy: 0.5720559100270414
Energy: 0.7418049787200595
Energy: 0.5776734009025144
Energy: 0.7481858858808415
Energy: 0.6394704355667112
Energy: 0.7481858858825196
Energy: 0.6724528753455615
Energy: 0.7661156329360628
Energy: 0.5707488765315993
Energy: 0.7661156329366308
Energy: 0.5785623132195344
Energy: 0.7044891614446857
Energy: 0.5839114372765533
Energy: 0.7044891614441177
Energy: 0.7047378652077257
Energy: 0.7454628600900647
Energy: 0.5761770833817031
Energy: 0.7454628600900647
Energy: 0.5893967929178238
Energy: 0.7589416990626384
Energy: 0.5835899368531842
Energy: 0.7589416990626384
Energy: 0.715038622918746
Energy: 0.7542041122716993
Energy: 0.5764604340397586
Energy: 0.7542041122711313
Energy: 0.5785933340583013
Energy: 0.7269720256684395
Energy: 0.5743399041946781
Energy: 0.7269720256678714
Energy: 0.5662582637857555
Energy: 0.6740870977490562
Energy: 0.576493658643074
Energy: 0.6740870977490562
Energy: 0.5767131256320432
Energy: 0.7267391183727644
Energy: 0.5765503302650298
Energy: 0.7267391183727644
Energy: 0.5904638970101459
Energy: 0.7802090908827414
Energy: 0.580956093668756
Energy: 0.7802090908827414
Energy: 0.5750828287442192
Energy: 0.7710543543708196
Energy: 0.5812582361583978
Energy: 0.7710543543708196
Energy: 0.5750310618663576
Energy: 0.7707183497019048
Energy: 0.5807825704958729
Energy: 0.7707183497019048
Energy: 0.5904754151178853
Energy: 0.7802336654080952
Energy: 0.580739085083867
Energy: 0.7802336654080952
Energy: 0.5747638702185356
Energy: 0.7267701158839172
Energy: 0.5765942752191087
Energy: 0.7267701158833492
Energy: 0.5662397655747039
Energy: 0.6740988020503131
Energy: 0.5764898577045157
Energy: 0.6740988020491772
Energy: 0.5785872253999754
Energy: 0.7269807081750308
Energy: 0.5930523996225243
Energy: 0.7269807081750308
Energy: 0.7150283251434396
Energy: 0.7542691884467069
Energy: 0.5764379769659244
Energy: 0.7542691884461389
Energy: 0.5888995552296948
Energy: 0.7591259472917794
Energy: 0.5933474220242968
Energy: 0.7591259472917794
Energy: 0.7045934227065499
Energy: 0.7452404518352544
Energy: 0.5760330728573172
Energy: 0.7452404518346865
Energy: 0.5772748165597118
Energy: 0.704710287213433
Energy: 0.615934738240799
Energy: 0.704710287214001
Energy: 0.6724857069673157
Energy: 0.7659192066613919
Energy: 0.5707405356997293
Energy: 0.7659192066619599
Energy: 0.5775191842174618
Energy: 0.7482008725810466
Energy: 0.711600747743414
Energy: 0.7482008726031728
Energy: 0.5724709225534954
Energy: 0.7423839082127281
Energy: 0.5720563330095478
Energy: 0.7423839082132961
Energy: 0.5785265292125864
Energy: 0.7479757832258205
Energy: 0.7782269741690552
Energy: 0.7479757832252524
Energy: 0.8299577430813505
Energy: 0.6466196588647105
Energy: 0.5720358466516063
Energy: 0.6466196588647105
Energy: 0.5784678373256779
Energy: 0.7577041504598416
Energy: 0.6146616070710917
Energy: 0.7577041504604096
Energy: 0.5735928272683981
Energy: 0.7120888082817304
Energy: 0.5705900455572378
Energy: 0.7120888082817304

minimum gb energy = 0.5662397655747039 eV
minimum distance =  2.40872653576938 Angstroms
sigma value = 37


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

Energy: 0.6069034726440008
Energy: 0.5974351040291764
Energy: 0.696982264300228
Energy: 0.5974351040291764
Energy: 0.7850419765870967
Energy: 0.6432404413353293
Energy: 0.5252068988458207
Energy: 0.6432404413353293
Energy: 0.5317041589443141
Energy: 0.7852213277568232
Energy: 0.7382935995567993
Energy: 0.7852213277568232
Energy: 0.5734611282936851
Energy: 0.5927340180772295
Energy: 0.5275008248691743
Energy: 0.5927340180772295
Energy: 0.6646788241293864
Energy: 0.6390709877741144
Energy: 0.6868279401346591
Energy: 0.6390709877741144
Energy: 0.5435277321017832
Energy: 0.7016000371760969
Energy: 0.5876858864412291
Energy: 0.7016000371780513
Energy: 0.5322542911175074
Energy: 0.7817466342839423
Energy: 0.7047932855347593
Energy: 0.7817466342839423
Energy: 0.5145677087173237
Energy: 0.532976717409612
Energy: 0.534754474613242
Energy: 0.5329767174105893
Energy: 0.5269212225538409
Energy: 0.6434742988029204
Energy: 0.6380932824474774
Energy: 0.6434742988029204
Energy: 0.6962477428463612
Energy: 0.7634593381381224
Energy: 0.587670231287396
Energy: 0.7634593381381224
Energy: 0.5251125511333209
Energy: 0.7293745411479907
Energy: 0.5876050775638022
Energy: 0.7293745411479907
Energy: 0.6704928446979523
Energy: 0.639074293750418
Energy: 0.5274181941042732
Energy: 0.639074293750418
Energy: 0.5856717205764297
Energy: 0.6970166652797809
Energy: 0.5295709631885531
Energy: 0.6970166652797809
Energy: 0.7059788644193213
Energy: 0.7814160433706198
Energy: 0.5197418082276443
Energy: 0.7814160433706198
Energy: 0.6069115018847234
Energy: 0.60967256362596
Energy: 0.524513346408177
Energy: 0.60967256362596
Energy: 0.6081110989968178
Energy: 0.6328058961663354
Energy: 0.5250611966103054
Energy: 0.6328058961663354
Energy: 0.5856124045357503
Energy: 0.7500618576815791
Energy: 0.5198176430404203
Energy: 0.7500618576815791
Energy: 0.5878395090072598
Energy: 0.7374946093196716
Energy: 0.5255919694818976
Energy: 0.7374946093196716
Energy: 0.5256676304918273
Energy: 0.6391740914568556
Energy: 0.525353144633316
Energy: 0.6391740914568556
Energy: 0.5251872848602528
Energy: 0.7093574185585375
Energy: 0.5856617453967979
Energy: 0.7093574185585375

minimum gb energy = 0.5145677087173237 eV
minimum distance =  2.528473594151 Angstroms
sigma value = 25


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

Energy: 0.549475325806375
Energy: 0.7309717885749208
Energy: 0.4858139108603051
Energy: 0.730971788575684
Energy: 0.7069132141240249
Energy: 0.6458555617767278
Energy: 0.4754724243548466
Energy: 0.6458555617767278
Energy: 0.5246534819261093
Energy: 0.5183489705295222
Energy: 0.6764120416342745
Energy: 0.5183489705287593
Energy: 0.6049692935201054
Energy: 0.613685168868968
Energy: 0.47631481544120685
Energy: 0.613685168869731
Energy: 0.48099238106779585
Energy: 0.6463526955962035
Energy: 0.560171077515973
Energy: 0.6463526955962035
Energy: 0.5087862354163196
Energy: 0.6458145922733344
Energy: 0.48274342244489643
Energy: 0.6458145922740974
Energy: 0.4756041937978664
Energy: 0.5577753263401917
Energy: 0.6595237345306578
Energy: 0.5577753263401917
Energy: 0.47902699495857043
Energy: 0.6165457166561779
Energy: 0.5256887169448254
Energy: 0.6165457166561779
Energy: 0.47478809221079205
Energy: 0.6473478119586782
Energy: 0.7257660690784529
Energy: 0.647347811957915
Energy: 0.4630221436005032
Energy: 0.6404842600810511
Energy: 0.4948910152952589
Energy: 0.6404842600810511
Energy: 0.4756783884653451
Energy: 0.5571604530356675
Energy: 0.6454431938395193
Energy: 0.5571604530356675
Energy: 0.5997646576834627
Energy: 0.700134890081287
Energy: 0.5258232019131148
Energy: 0.700134890081287
Energy: 0.4773071294696467
Energy: 0.6145696128948938
Energy: 0.605318026633629
Energy: 0.6145696128948938
Energy: 0.6210705628520505
Energy: 0.6866309482201086
Energy: 0.4829096258639748
Energy: 0.6866309482208717
Energy: 0.4829812563760304
Energy: 0.601223946907907
Energy: 0.5148973467828027
Energy: 0.6012239469071441
Energy: 0.6411072957820612
Energy: 0.7002261025702191
Energy: 0.47465413333009315
Energy: 0.7002261025702191
Energy: 0.5288749509154166
Energy: 0.6177268986144941
Energy: 0.4706159799107624
Energy: 0.6177268986144941
Energy: 0.6235543722220969
Energy: 0.6669426204578024
Energy: 0.47567273109528496
Energy: 0.6669426204578024
Energy: 0.553510453155433
Energy: 0.6751805382284425
Energy: 0.4686880425818676
Energy: 0.6751805382284425
Energy: 0.7348677904426744
Energy: 0.684302177651675
Energy: 0.4749815698617116
Energy: 0.684302177651675
Energy: 0.5288921764477165
Energy: 0.6996891643890927
Energy: 0.47398646032703634
Energy: 0.6996891643890927
Energy: 0.5257133184924673
Energy: 0.6333090857797282
Energy: 0.48024664376361226
Energy: 0.6333090857797282
Energy: 0.4829260748520832
Energy: 0.6964979308103643
Energy: 0.6225655883226685
Energy: 0.6964979308103643
Energy: 0.5148461481427586
Energy: 0.694691872103902
Energy: 0.4804780296561884
Energy: 0.694691872103902
Energy: 0.4749160424230859
Energy: 0.7002800107319682
Energy: 0.6701285163890521
Energy: 0.7002800107319682
Energy: 0.4692094259589739
Energy: 0.6369922138703915
Energy: 0.524954795435967
Energy: 0.6369922138703915

minimum gb energy = 0.4630221436005032 eV
minimum distance =  2.50924019587776 Angstroms
sigma value = 41


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

Energy: 0.5966981475318602
Energy: 0.5719738350635792
Energy: 0.6623739104905229
Energy: 0.5719738350629539
Energy: 0.6810793131246553
Energy: 0.5671685747934713
Energy: 0.42831854829000876
Energy: 0.5671685747934713
Energy: 0.4378670881494231
Energy: 0.5647955904624299
Energy: 0.8354895706233358
Energy: 0.5647955904624299
Energy: 0.52410998179587
Energy: 0.5675210891325313
Energy: 0.428487120723075
Energy: 0.5675210891306545
Energy: 0.4251208446695791
Energy: 0.5785209625928729
Energy: 0.46159992935321764
Energy: 0.5785209625916216
Energy: 0.5963725738274046
Energy: 0.5678806696319809
Energy: 0.4283092483176974
Energy: 0.5678806696319809
Energy: 0.4277579989265837
Energy: 0.5675799407500671
Energy: 0.6351496622815451
Energy: 0.5675799407500671
Energy: 0.4240359678082299
Energy: 0.50656943250883
Energy: 0.42568283628145515
Energy: 0.50656943250883
Energy: 0.43012457006689286
Energy: 0.6136106504976002
Energy: 0.6121723609343204
Energy: 0.6136106504976002
Energy: 0.4277389459923611
Energy: 0.5651180693062944
Energy: 0.4385837111502421
Energy: 0.5651180691186987
Energy: 0.42771329968031846
Energy: 0.5677234577090396
Energy: 0.6771965939709401
Energy: 0.5677234577096654
Energy: 0.42175452814687625
Energy: 0.5711963630347112
Energy: 0.5973697613928991
Energy: 0.5711963630353367
Energy: 0.43007290369936296
Energy: 0.6142745932345911
Energy: 0.6773500703330618
Energy: 0.614274593258961
Energy: 0.48811479419194403
Energy: 0.7012390356958312
Energy: 0.4385533762276291
Energy: 0.7012390356958312
Energy: 0.42785768432746624
Energy: 0.5913319623330954
Energy: 0.5787519648206962
Energy: 0.5913319623324698
Energy: 0.5404182501773485
Energy: 0.6217253363596152
Energy: 0.4257147346476338
Energy: 0.6217253363596152
Energy: 0.4301556134008632
Energy: 0.6132881492270588
Energy: 0.5394839657513144
Energy: 0.6132881492270588
Energy: 0.5291589357002303
Energy: 0.7041058990383563
Energy: 0.4283542985288851
Energy: 0.7041058990383563
Energy: 0.42777573632324867
Energy: 0.5301192219083452
Energy: 0.4246053419755422
Energy: 0.5301192219077197
Energy: 0.524887113326766
Energy: 0.6210235275395929
Energy: 0.4329840391091215
Energy: 0.6210235275395929
Energy: 0.44040128204562157
Energy: 0.6432329418755284
Energy: 0.4333885001584283
Energy: 0.643232941876154
Energy: 0.6748273775809809
Energy: 0.6869435589701537
Energy: 0.4282223312305789
Energy: 0.6869435589701537
Energy: 0.599146574046204
Energy: 0.5959995644611334
Energy: 0.4251695747169433
Energy: 0.5959995644617591
Energy: 0.6020190274630042
Energy: 0.6150854373432065
Energy: 0.4325687715807739
Energy: 0.615085437343832
Energy: 0.44058585990453414
Energy: 0.6717002354219292
Energy: 0.42967828801880975
Energy: 0.6717002354219292
Energy: 0.5828872214818106
Energy: 0.6788154770788677
Energy: 0.42835405099104507
Energy: 0.6788154770788677
Energy: 0.4277738909645394
Energy: 0.6222116990399096
Energy: 0.5312559090083189
Energy: 0.6222116990399096
Energy: 0.42551525705954946
Energy: 0.612973305104489
Energy: 0.43277296392412645
Energy: 0.612973305104489
Energy: 0.4301492456259595
Energy: 0.6505176609134818
Energy: 0.5292508166981549
Energy: 0.6505176609134818
Energy: 0.4244547395904804
Energy: 0.6334025441501182
Energy: 0.4307019570896037
Energy: 0.6334025441494926
Energy: 0.43332728021915706
Energy: 0.6221418788504159
Energy: 0.5099773622417766
Energy: 0.6221418788504159
Energy: 0.42486326571092725
Energy: 0.6337306120896997
Energy: 0.44349664120209914
Energy: 0.6337306120903254

minimum gb energy = 0.42175452814687625 eV
minimum distance =  2.49814540558488 Angstroms
sigma value = 15


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

Energy: 0.5431932932744319
Energy: 0.6633803922071299
Energy: 0.6578239784423499
Energy: 0.6633803922071299
Energy: 0.6185246431331083
Energy: 0.6023254432461287
Energy: 0.40024224814089676
Energy: 0.6023254432461287
Energy: 0.4113863289954151
Energy: 0.513375720229474
Energy: 0.4013059782825487
Energy: 0.5133757202289441
Energy: 0.6181843954263488
Energy: 0.6002953326542148
Energy: 0.40032908796005034
Energy: 0.6002953326542148
Energy: 0.3984160743296157
Energy: 0.7111344844120905
Energy: 0.6233941192716617
Energy: 0.7111344844126206
Energy: 0.5259103553189279
Energy: 0.6011898904217543
Energy: 0.400424228177148
Energy: 0.6011898904206944
Energy: 0.39988426206981464
Energy: 0.5176563002846205
Energy: 0.4242621171794793
Energy: 0.5176563002851504
Energy: 0.45140433567489635
Energy: 0.5170862070546912
Energy: 0.40040793880063
Energy: 0.5170862070541612
Energy: 0.4016399844965066
Energy: 0.6667399430292277
Energy: 0.6052522230016062
Energy: 0.6667399430292277
Energy: 0.39063322980665205
Energy: 0.6332890566198385
Energy: 0.39876168530882616
Energy: 0.6332890566203684
Energy: 0.39994007545477445
Energy: 0.5641368665284063
Energy: 0.6181611554848522
Energy: 0.5641368665284063
Energy: 0.3977734166804888
Energy: 0.5129680742499632
Energy: 0.41169747633508597
Energy: 0.5129680742446633
Energy: 0.4014983159830609
Energy: 0.6355117601443742
Energy: 0.7260834267508698
Energy: 0.6355117601438443
Energy: 0.3893177210558435
Energy: 0.6631744047386079
Energy: 0.5435729823522657
Energy: 0.6631744047391378
Energy: 0.399793080719196
Energy: 0.5627650735037757
Energy: 0.7016348392034787
Energy: 0.5627650735037757
Energy: 0.4645271234935111
Energy: 0.5129213003856851
Energy: 0.4118064044211657
Energy: 0.5129213003809152
Energy: 0.40150421521930524
Energy: 0.6302740108029409
Energy: 0.6142948214200694
Energy: 0.6302740108024109
Energy: 0.5017509131935902
Energy: 0.6460349802781002
Energy: 0.39882628661962055
Energy: 0.6460349802781002
Energy: 0.4000786987989644
Energy: 0.5647548939244932
Energy: 0.5268453821854555
Energy: 0.5647548939239632
Energy: 0.48297672519634444
Energy: 0.566467818382331
Energy: 0.4002750400641416
Energy: 0.566467818382331
Energy: 0.40162276682365694
Energy: 0.568436400753059
Energy: 0.4544305904527903
Energy: 0.568436400753059
Energy: 0.47981993981970367
Energy: 0.6427053161760399
Energy: 0.40344530451203314
Energy: 0.6427053161760399
Energy: 0.39992591382731535
Energy: 0.5737890796046027
Energy: 0.39097852355532303
Energy: 0.5737890796046027
Energy: 0.5933027866552624
Energy: 0.5651268695648674
Energy: 0.4001990465102895
Energy: 0.5651268695659273
Energy: 0.412993098346921
Energy: 0.5896207949714669
Energy: 0.3971890396419331
Energy: 0.5896207949719969
Energy: 0.6397920492972907
Energy: 0.6216787127037849
Energy: 0.40335444778765045
Energy: 0.6216787127037849
Energy: 0.5446034697076645
Energy: 0.5915963908100289
Energy: 0.4042476315227741
Energy: 0.5915963908110888
Energy: 0.699671471344565
Energy: 0.5548785235151553
Energy: 0.40030545429844605
Energy: 0.5548785235130836
Energy: 0.4129953836896516
Energy: 0.657451901889645
Energy: 0.40731427259886366
Energy: 0.6574519018891148
Energy: 0.5279328096867214
Energy: 0.6365003199436866
Energy: 0.40337358025919307
Energy: 0.6365003199436866
Energy: 0.3998793648515585
Energy: 0.6133788967141618
Energy: 0.4830451331779762
Energy: 0.6133788967141618
Energy: 0.5219579501674477
Energy: 0.5572671185762987
Energy: 0.40046171753130555
Energy: 0.5572671185762987
Energy: 0.4015110757206257
Energy: 0.6574211546623986
Energy: 0.48172445870691727
Energy: 0.6574211546623986
Energy: 0.3912317287533012
Energy: 0.5732218976290322
Energy: 0.40340969148697886
Energy: 0.5732218976295621
Energy: 0.39843368946226526
Energy: 0.6120473007447542
Energy: 0.47965654325768553
Energy: 0.6120473007447542
Energy: 0.39119995003296176
Energy: 0.5782803230615912
Energy: 0.40191873071095424
Energy: 0.578280323061061
Energy: 0.4013575218554566
Energy: 0.6573341933819756
Energy: 0.6054041671959336
Energy: 0.6573341933825056

minimum gb energy = 0.3893177210558435 eV
minimum distance =  2.51291356551749 Angstroms
sigma value = 85


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

Energy: 0.5066717730708719
Energy: 0.5997300000192931
Energy: 0.5019355387629741
Energy: 0.5997300000192931
Energy: 0.6412566058432178
Energy: 0.5379576315658391
Energy: 0.3641815588408124
Energy: 0.5379576315658391
Energy: 0.4883253166315981
Energy: 0.47013472312715815
Energy: 0.41056223755101695
Energy: 0.47013472312715815
Energy: 0.5635847532079579
Energy: 0.5381087285770265
Energy: 0.364206159130976
Energy: 0.538108728576567
Energy: 0.37768986274407945
Energy: 0.4587729832800448
Energy: 0.40181822795463773
Energy: 0.45877298327958516
Energy: 0.5899582507411415
Energy: 0.5380303969270209
Energy: 0.3643213608798619
Energy: 0.5380303969270209
Energy: 0.3620885904868424
Energy: 0.4782710722722612
Energy: 0.41003289290031897
Energy: 0.4782710722718016
Energy: 0.46536815954596694
Energy: 0.5379887785631793
Energy: 0.36419620283897486
Energy: 0.5379887785631793
Energy: 0.36380736357730653
Energy: 0.46372756643641744
Energy: 0.446687203880406
Energy: 0.46372756643641744
Energy: 0.40458296595422
Energy: 0.4781350541029112
Energy: 0.36252200123530703
Energy: 0.4781350541029112
Energy: 0.3655524647252961
Energy: 0.5381683982069173
Energy: 0.5992019342129788
Energy: 0.5381683982046191
Energy: 0.3521701898832029
Energy: 0.5547282942415748
Energy: 0.37810333938954754
Energy: 0.5547282942415748
Energy: 0.3637742647791415
Energy: 0.4638081775128618
Energy: 0.6092655922787285
Energy: 0.4638081775128618
Energy: 0.3551819578295458
Energy: 0.4699013668675478
Energy: 0.4887324273031137
Energy: 0.4699013668675478
Energy: 0.36540518349723494
Energy: 0.5380400318312878
Energy: 0.6899405187756171
Energy: 0.5380400318312878
Energy: 0.35084613039472423
Energy: 0.5995716632393281
Energy: 0.5070458498397155
Energy: 0.5995716632393281
Energy: 0.3638443770653503
Energy: 0.48275946847330514
Energy: 0.7189278866136617
Energy: 0.4827594684737648
Energy: 0.3980110800913281
Energy: 0.46990844051114544
Energy: 0.4887916141729944
Energy: 0.4699084405116052
Energy: 0.36550865249859077
Energy: 0.5123847103728335
Energy: 0.6240935855548133
Energy: 0.5123847103728335
Energy: 0.4342838498274274
Energy: 0.6195161084877598
Energy: 0.37807557346903065
Energy: 0.6195161084877598
Energy: 0.3638635799871342
Energy: 0.48297661226891214
Energy: 0.5407362136841911
Energy: 0.4829766122693718
Energy: 0.43221148266570053
Energy: 0.5199747290091431
Energy: 0.36253316677987324
Energy: 0.5199747290091431
Energy: 0.3654916875664605
Energy: 0.5122294120230192
Energy: 0.4562118428912985
Energy: 0.5122294120234787
Energy: 0.4318683457351342
Energy: 0.5819168910884102
Energy: 0.3642945057140906
Energy: 0.5819168910888697
Energy: 0.36375553328974586
Energy: 0.4439431331494161
Energy: 0.4044700377017318
Energy: 0.4439431331498757
Energy: 0.6112134192128417
Energy: 0.5116834858570339
Energy: 0.36566467804069025
Energy: 0.5116834858570339
Energy: 0.37929829041129837
Energy: 0.52817119623771
Energy: 0.35217019975758573
Energy: 0.5281711962381699
Energy: 0.5228780293892811
Energy: 0.582369365924897
Energy: 0.36420060289203693
Energy: 0.582369365924897
Energy: 0.4900049060412174
Energy: 0.4894359703780065
Energy: 0.35514188126725355
Energy: 0.4894359703780065
Energy: 0.6886053714243795
Energy: 0.5104434114606097
Energy: 0.3672714866513772
Energy: 0.5104434114606097
Energy: 0.5083025962931335
Energy: 0.5748548492573851
Energy: 0.3508168711494497
Energy: 0.5748548492573851
Energy: 0.635005636262516
Energy: 0.5591421847071071
Energy: 0.3642221764196229
Energy: 0.5591421847071071
Energy: 0.48995625366586054
Energy: 0.489250108960335
Energy: 0.3553722975058551
Energy: 0.489250108960335
Energy: 0.6266714770718129
Energy: 0.512352206063096
Energy: 0.36698453735480896
Energy: 0.512352206063096
Energy: 0.379333829188041
Energy: 0.5977566623561741
Energy: 0.4333426863479033
Energy: 0.5977566623566337
Energy: 0.4707306289168007
Energy: 0.584043037624595
Energy: 0.36420674897121563
Energy: 0.584043037624595
Energy: 0.36385275632382263
Energy: 0.5102464288944112
Energy: 0.43184788522828105
Energy: 0.5102464288944112
Energy: 0.45624222560775257
Energy: 0.5300928276497157
Energy: 0.36732998589670474
Energy: 0.5300928276497157
Energy: 0.3654456355591676
Energy: 0.5974727017899045
Energy: 0.4314255850335044
Energy: 0.5974727017903643
Energy: 0.3545528598131305
Energy: 0.5307537088966059
Energy: 0.36570053928442003
Energy: 0.5307537088970656
Energy: 0.3639824229663878
Energy: 0.5102298107347517
Energy: 0.5330751190105654
Energy: 0.5102298107347517
Energy: 0.35243695596091884
Energy: 0.5280788037981511
Energy: 0.3813228778374196
Energy: 0.5280788037981511
Energy: 0.3653360164653859
Energy: 0.57087163105128
Energy: 0.5315060633725669
Energy: 0.57087163105128

minimum gb energy = 0.3508168711494497 eV
minimum distance =  2.55256156543925 Angstroms
sigma value = 113


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

Energy: 0.011721849674958373
Energy: 0.012540544393525956
Energy: 0.639538461710437
Energy: 0.012540544393525956
Energy: 0.638966804390194
Energy: 0.19350480305229892
Energy: 0.19388220687566174
Energy: 0.19350480305263262
Energy: 0.011721849674958373
Energy: 0.012540544393525956
Energy: 0.6395363488593657
Energy: 0.012540544393525956
Energy: 0.638966804390194
Energy: 0.19350480305229892
Energy: 0.19388271092470005
Energy: 0.19350480305229892
Energy: 0.011721849674958373
Energy: 0.012540544393525956
Energy: 0.6395405543569609
Energy: 0.012540544393525956
Energy: 0.638966804390194
Energy: 0.19350480305229892
Energy: 0.19388372271388607
Energy: 0.19350480305229892

minimum gb energy = 0.011721849674958373 eV
minimum distance =  2.85657743996325 Angstroms
sigma value = 1