Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456936597833
cohesive_energy=4.17898683463013
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-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: 0.012620312812883085
Energy: 1.0721644470475968
Energy: 1.8904454575365526
Energy: 0.012953330471867279
Energy: 1.0721644470399023
Energy: 0.24215139009897352
Energy: 1.0707009115744308
Energy: 0.24215139009992853
Energy: 1.890445456538096
Energy: 1.0707009115772956
Energy: 1.3087356262015246
Energy: 1.0707009115772956
Energy: 0.012953330471867279
Energy: 0.24215139009897352
Energy: 1.0707009115772956
Energy: 0.24215139009897352

minimum gb energy = 0.012620312812883085 eV
minimum distance =  2.45994348218393 Angstroms
sigma value = 1


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

Energy: 2.1586981899947637
Energy: 1.0439803484842791
Energy: 1.023593063019871
Energy: 2.2791343276991016
Energy: 1.9619303423173546
Energy: 1.122252377147383
Energy: 1.1244065460206507
Energy: 1.1222523771461919
Energy: 1.9574371057375375
Energy: 1.0066239258210625
Energy: 1.0292318700935688
Energy: 1.006623925827019
Energy: 1.9790014096234894
Energy: 1.0693127999711827
Energy: 1.0595468797380052
Energy: 1.0693127999711827
Energy: 1.998129141208984
Energy: 1.160266458735873
Energy: 1.3966786615837008
Energy: 1.1602664587370644
Energy: 1.9792466693315465
Energy: 1.3375589151185356
Energy: 1.3562405509859052
Energy: 1.3375589151197267
Energy: 1.6649669223702144
Energy: 1.3072342015384237
Energy: 1.4314561590385981
Energy: 1.3072342015408065
Energy: 1.6804474200709116
Energy: 1.2803724338460045
Energy: 1.339992305040285
Energy: 1.2803724338460045
Energy: 1.6854223738705356
Energy: 1.8821286277351397
Energy: 1.8096646417330977
Energy: 1.882128627736331
Energy: 1.670848042202573
Energy: 1.4588697141580689
Energy: 1.6831921437453086
Energy: 1.4588697141544948
Energy: 1.7353202426022416
Energy: 1.378864792731126
Energy: 1.835204230098921
Energy: 1.3788647927323174
Energy: 1.3308496585448262
Energy: 1.3758045244392672
Energy: 1.6610298421635712
Energy: 1.3758045244356931
Energy: 1.3976680589846775
Energy: 1.4026822600680113
Energy: 1.6609873514267643
Energy: 1.4026822600680113
Energy: 1.413224916247566
Energy: 1.3131743452368865
Energy: 1.976933363881792
Energy: 1.3131743452368865
Energy: 1.4157824205187943
Energy: 1.2852895136337728
Energy: 2.1634293914999336
Energy: 1.2852895136325815
Energy: 1.0596103782544992
Energy: 1.1924354885740445
Energy: 1.961358647655259
Energy: 1.1924354885740445
Energy: 1.0060011799366222
Energy: 0.9973614304316173
Energy: 1.9715507265483574
Energy: 0.9973614304292348
Energy: 1.1105239668570634
Energy: 1.0625130411504442
Energy: 1.9622961593515464
Energy: 1.0625130411516357
Energy: 1.0581263283027942
Energy: 1.021283253714176
Energy: 2.3275329610218853
Energy: 1.0212832537117935
Energy: 1.217379271475245
Energy: 1.1683783408253134
Energy: 1.9503112228893027
Energy: 1.1683783408241222
Energy: 1.2195526085324986
Energy: 1.1001860267516304
Energy: 1.8559504079107716
Energy: 1.1001860267492476
Energy: 1.1105730352170764
Energy: 1.1044998339413326
Energy: 1.8593711592129982
Energy: 1.1044998339413326
Energy: 1.1108424688171175
Energy: 1.3043078353015933
Energy: 2.0089305133384783
Energy: 1.3043078352682906
Energy: 1.5473276530983933
Energy: 1.3748700763304829
Energy: 1.859255793801534
Energy: 1.3748700763304829
Energy: 1.627926435737974
Energy: 1.3759619666752159
Energy: 1.977247606455811
Energy: 1.3759619666728333
Energy: 1.5215325593079294
Energy: 1.3468375335259746
Energy: 1.4918002685881862
Energy: 1.346837533523592
Energy: 1.477044694367609
Energy: 1.647752737021936
Energy: 1.6855929100902773
Energy: 1.6477527370231275
Energy: 1.8682635516096306
Energy: 1.4046069724675243
Energy: 1.4951136206054216
Energy: 1.4046069724687154
Energy: 1.824156450948427
Energy: 1.3720105031828447
Energy: 1.6676147961973087
Energy: 1.3720105031828447
Energy: 1.749638365560032
Energy: 1.3702090506296603
Energy: 1.1133378260498787
Energy: 1.3702090506284688
Energy: 1.8615587819395392
Energy: 1.1244123788091505
Energy: 1.1364175882094492
Energy: 1.1244123788079587
Energy: 1.9625073175152727
Energy: 1.1136439800601279
Energy: 1.222873897615005
Energy: 1.1136439800601279
Energy: 1.9453649403583486
Energy: 1.1283946382845147
Energy: 1.1246525552396756
Energy: 1.1283946382821322

minimum gb energy = 0.9973614304292348 eV
minimum distance =  2.28461735029484 Angstroms
sigma value = 1


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

Energy: 2.442683587582012
Energy: 2.3001467554746977
Energy: 1.0608640942998913
Energy: 2.1276428765084825
Energy: 1.8869828761945409
Energy: 1.068461356512111
Energy: 1.060787093984388
Energy: 1.0684613565107528
Energy: 1.9150951987437959
Energy: 1.0438354426752854
Energy: 1.067926121091639
Energy: 1.0438354426752854
Energy: 1.9151379612207327
Energy: 1.1694910778235321
Energy: 1.1782474152157782
Energy: 1.1694910778221737
Energy: 2.019209407824491
Energy: 1.0595948747306891
Energy: 1.387374088349219
Energy: 1.0595948748379345
Energy: 1.9155798767052266
Energy: 1.2342128450659686
Energy: 1.4338033682023033
Energy: 1.2342128450673273
Energy: 1.965712615009161
Energy: 1.2262611827552146
Energy: 1.3322060569607943
Energy: 1.226261182757931
Energy: 1.6722258882201224
Energy: 1.2358713555857483
Energy: 1.294795088191965
Energy: 1.2358713555857483
Energy: 2.051655251646383
Energy: 1.2481191977589843
Energy: 1.642594767925174
Energy: 1.2481191980834982
Energy: 1.7380839504092291
Energy: 1.3742696739820417
Energy: 1.6866211575682355
Energy: 1.3742696739834
Energy: 1.8516897636088856
Energy: 1.359756039679601
Energy: 1.6687090790827546
Energy: 1.359756039679601
Energy: 1.3031919383929256
Energy: 1.3268155642345723
Energy: 1.4513092152471097
Energy: 1.3268155642358996
Energy: 1.3526426173741326
Energy: 1.2276776951696782
Energy: 1.7082889574525244
Energy: 1.2276776951683197
Energy: 1.2643030044053325
Energy: 1.2377773883579866
Energy: 1.9153488399639582
Energy: 1.2377773883593448
Energy: 1.4125190566356505
Energy: 1.2367082256253368
Energy: 2.4336659464282797
Energy: 1.23670822562262
Energy: 1.0673380024265486
Energy: 1.069111939269487
Energy: 1.869697669103081
Energy: 1.069111939269487
Energy: 1.0725318523381004
Energy: 1.0336167179488305
Energy: 1.915748488229628
Energy: 1.0336167179488305
Energy: 1.0437609010722009
Energy: 1.042628812942839
Energy: 1.9157807138136302
Energy: 1.0426288129441974
Energy: 1.0832590721673165
Energy: 1.254524843200971
Energy: 2.0216208601104952
Energy: 1.2545248431996128
Energy: 1.4343063731564318
Energy: 1.22590719763465
Energy: 1.9157695904704448
Energy: 1.22590719763465
Energy: 1.2763521370392825
Energy: 1.227764646443809
Energy: 1.9667447020414794
Energy: 1.2277646464465257
Energy: 1.2966122887534555
Energy: 1.2361994327830272
Energy: 1.7070285822832993
Energy: 1.236199432781669
Energy: 1.2854940106680894
Energy: 1.3754453016003583
Energy: 2.051267408994686
Energy: 1.375445301603075
Energy: 1.686787175211786
Energy: 1.3738643022163524
Energy: 1.7388808873004
Energy: 1.3738643022177104
Energy: 1.6694976038912464
Energy: 1.4022289707404136
Energy: 1.8642660547468588
Energy: 1.4022289707404136
Energy: 1.44939987247951
Energy: 1.3746377473093332
Energy: 1.2916595682122707
Energy: 1.3746377473066167
Energy: 1.6975197314681278
Energy: 1.2275670622511448
Energy: 1.3675954870926064
Energy: 1.227567062252503
Energy: 1.9155982070012236
Energy: 1.2355636177049123
Energy: 1.263766826429763
Energy: 1.235563617703554
Energy: 1.8678159237728773
Energy: 1.2366303214006293
Energy: 1.4115044988856935
Energy: 1.2366303214006293

minimum gb energy = 1.0336167179488305 eV
minimum distance =  2.2976289074536 Angstroms
sigma value = 25


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

Energy: 2.2924455557780954
Energy: 2.283483131832827
Energy: 1.1123729141375314
Energy: 2.2662995193278888
Energy: 1.8001240079697902
Energy: 1.110316254744134
Energy: 1.190726279338471
Energy: 1.110316254744134
Energy: 1.8011453373237674
Energy: 1.1067997048615048
Energy: 1.1505190339975802
Energy: 1.1067997048615048
Energy: 1.8695425196533522
Energy: 1.088936118764314
Energy: 1.1135664733523163
Energy: 1.088936118764314
Energy: 2.0743951212777736
Energy: 1.1357913942901556
Energy: 1.5166162686037388
Energy: 1.1357913942901556
Energy: 1.8696882917416562
Energy: 1.4126999816510095
Energy: 1.5443169466565831
Energy: 1.4126999816510095
Energy: 2.024895807050091
Energy: 1.4689537472200107
Energy: 1.6035621602661678
Energy: 1.4689537472215897
Energy: 1.5125881536933126
Energy: 1.3816288869492679
Energy: 1.535450669350767
Energy: 1.3816288869492679
Energy: 1.6713961695521575
Energy: 1.7059230311719396
Energy: 1.6318370623204288
Energy: 1.7059230311798343
Energy: 1.5107870005625061
Energy: 1.4100814704855245
Energy: 1.8484866484754499
Energy: 1.4100814704855245
Energy: 1.6620873453501972
Energy: 1.4912109359711676
Energy: 1.8028379223693571
Energy: 1.4912109359711676
Energy: 1.0884018344070798
Energy: 1.088913071337724
Energy: 1.8033154187259697
Energy: 1.0889130713393032
Energy: 1.1166005303197988
Energy: 1.1229859068263792
Energy: 1.801249634940222
Energy: 1.1229859068263792
Energy: 1.2003884528068727
Energy: 1.1671070449800929
Energy: 1.851454883605368
Energy: 1.1671070449800929
Energy: 1.166353952761774
Energy: 1.249133873447471
Energy: 2.0764015209616407
Energy: 1.249133873447471
Energy: 1.313465659591086
Energy: 1.3112510813051268
Energy: 1.7945743936939826
Energy: 1.3112510813035478
Energy: 1.2784988705306515
Energy: 1.236531520021379
Energy: 1.8675425496384037
Energy: 1.236531520021379
Energy: 1.2671470843266663
Energy: 1.239735880481538
Energy: 1.6975676237058666
Energy: 1.2397358804831171
Energy: 1.2556632987836212
Energy: 1.7055211009149343
Energy: 1.6662357781691561
Energy: 1.7055211009164772
Energy: 1.7176174353819764
Energy: 1.5132541886118818
Energy: 1.724526957742783
Energy: 1.5132541886103026
Energy: 1.6721907451866256
Energy: 1.542742675861641
Energy: 1.926319692096778
Energy: 1.5427426758600622
Energy: 1.7226849899314516
Energy: 1.5429208533412517
Energy: 1.3607501449306099
Energy: 1.5429208533412517
Energy: 1.6886813099835913
Energy: 1.3001012515455233
Energy: 1.2939691051407667
Energy: 1.3001012515439443
Energy: 1.8007260341610931
Energy: 1.2485226887975842
Energy: 1.2603999212857409
Energy: 1.2485226887975842
Energy: 1.801832569810877
Energy: 1.2522490084823712
Energy: 1.2513896592865288
Energy: 1.2522490084839504

minimum gb energy = 1.0884018344070798 eV
minimum distance =  2.28417767581663 Angstroms
sigma value = 9


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

Energy: 2.0937559210189254
Energy: 2.160633716725763
Energy: 1.1769412115779962
Energy: 1.9114294065901392
Energy: 1.662499213706069
Energy: 1.1728611897922854
Energy: 1.171642620132878
Energy: 1.1728611897881542
Energy: 1.7607271760245642
Energy: 1.1441806615301875
Energy: 1.1814130543492338
Energy: 1.1441806615392203
Energy: 1.7899647909295724
Energy: 1.1727408374586772
Energy: 1.1833002127128203
Energy: 1.1727408374639432
Energy: 1.5980045136558876
Energy: 1.6106055036681468
Energy: 1.52325754229079
Energy: 1.6106055042281031
Energy: 1.7865630632050806
Energy: 1.374132410790363
Energy: 1.5552193675349715
Energy: 1.374132410790941
Energy: 1.8381181236817599
Energy: 1.4669529187522479
Energy: 1.1696533919712013
Energy: 1.466952918751499
Energy: 1.4211400574011166
Energy: 1.292169054264143
Energy: 1.5557098729045649
Energy: 1.2921690542647208
Energy: 1.6253839550599187
Energy: 1.5872008355932117
Energy: 1.9361579509282179
Energy: 1.5872008355939606
Energy: 1.4552993226876527
Energy: 1.4710372398269405
Energy: 1.7152204412646825
Energy: 1.471037239825806
Energy: 1.60339720069575
Energy: 1.6130316176010107
Energy: 2.0951476954088997
Energy: 1.6130316175991273
Energy: 1.1710791791660937
Energy: 1.1695169047854144
Energy: 1.6346141404686911
Energy: 1.1695169047842797
Energy: 1.180052101691729
Energy: 1.1645709744378896
Energy: 1.7115738598215091
Energy: 1.1645709744373114
Energy: 1.181496039270307
Energy: 1.1717501644164627
Energy: 1.8467461850937548
Energy: 1.1717501644094848
Energy: 1.1840026119687355
Energy: 1.6128695307937913
Energy: 1.5958690645083728
Energy: 1.612869530784951
Energy: 1.5554962026344343
Energy: 1.3707346728584697
Energy: 1.8432377653723324
Energy: 1.370734672856222
Energy: 1.1699889451724452
Energy: 1.378455198815692
Energy: 1.8495306227099748
Energy: 1.378455198814001
Energy: 1.1701032945691894
Energy: 1.3855118825771957
Energy: 1.4201100282960943
Energy: 1.3855118825770032
Energy: 1.5554332136808602
Energy: 1.5881090382300924
Energy: 1.6244879772474288
Energy: 1.5881090382306704
Energy: 1.7154886856977247
Energy: 1.4758968193754378
Energy: 1.414969445155766
Energy: 1.4758968193748598
Energy: 1.8859054116022325
Energy: 1.370324068071134
Energy: 1.6032596555761636
Energy: 1.370324068072825

minimum gb energy = 1.1441806615301875 eV
minimum distance =  2.30741693377983 Angstroms
sigma value = 25


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

Energy: 1.8099992668222105
Energy: 2.215277825219839
Energy: 1.2886497714519909
Energy: 2.07066854056872
Energy: 1.6428920557671522
Energy: 1.292695483760687
Energy: 1.2757229144277578
Energy: 1.2926954837614015
Energy: 1.5508037176538176
Energy: 1.2527558473612619
Energy: 1.2507250993975823
Energy: 1.2527558473615004
Energy: 1.6189845852520799
Energy: 1.3120673785355725
Energy: 1.2857188623707145
Energy: 1.312067378537214
Energy: 1.5211240165239386
Energy: 1.9561484020046973
Energy: 1.9029441081252791
Energy: 1.956148402004247
Energy: 1.6168805906778287
Energy: 1.6119500076277185
Energy: 1.614506685830253
Energy: 1.6119500076286448
Energy: 1.728182302445395
Energy: 1.574238262445514
Energy: 1.6978351448622473
Energy: 1.574238262445514
Energy: 1.209900383768777
Energy: 1.3654325812003743
Energy: 1.6518403724631328
Energy: 1.3654325812020156
Energy: 1.233623729006542
Energy: 1.4314336836912953
Energy: 1.646092842024151
Energy: 1.4314336836905805
Energy: 1.2393834865013222
Energy: 1.2491695854621312
Energy: 1.6430373200312591
Energy: 1.2491695854628198
Energy: 1.4191421471237509
Energy: 1.472198929181871
Energy: 2.196743685621818
Energy: 1.472198929183724
Energy: 1.6055895353164729
Energy: 1.5781237396180994
Energy: 1.5893311627952804
Energy: 1.5781237396185759
Energy: 1.5000410873080492
Energy: 1.4237925454197535
Energy: 1.6431559023003788
Energy: 1.4237925454083442
Energy: 1.4736818009174966
Energy: 1.5188964714531592
Energy: 1.4940104935748293
Energy: 1.5188964714531592
Energy: 1.5729219499015723
Energy: 1.5908487533500635
Energy: 1.526434406913191
Energy: 1.5908487533493747
Energy: 1.560509737936097
Energy: 1.4606564230267645
Energy: 1.4823422189922664
Energy: 1.460656423027003
Energy: 1.5276712451432093
Energy: 1.5100713766480995
Energy: 1.4847370411205334
Energy: 1.5100713766490261

minimum gb energy = 1.209900383768777 eV
minimum distance =  2.26977696440401 Angstroms
sigma value = 17


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

Energy: 2.5264918638607785
Energy: 2.2703962928536514
Energy: 1.4321904717389962
Energy: 2.1754022334927923
Energy: 1.5313833619682022
Energy: 1.3479800100822612
Energy: 1.4325097952439176
Energy: 1.3479800100783033
Energy: 1.5661646530885058
Energy: 1.4223912372821388
Energy: 1.3276212841827628
Energy: 1.422391237287416
Energy: 1.510785202511076
Energy: 1.4297435602616604
Energy: 1.269472627063516
Energy: 1.4297435602616604
Energy: 1.8350823445737308
Energy: 1.6138605793488026
Energy: 1.5818057375248302
Energy: 1.6138605793448446
Energy: 1.513655526629367
Energy: 1.5988730271258993
Energy: 1.4794736755113933
Energy: 1.5988730271272187
Energy: 1.4770804997959635
Energy: 1.401559166898579
Energy: 1.5925775522878771
Energy: 1.4015591668998983
Energy: 1.316567879478535
Energy: 1.2464811987097166
Energy: 1.592305630507688
Energy: 1.2464811987123552
Energy: 1.2988752148964609
Energy: 1.2626414449428476
Energy: 1.4824777012843589
Energy: 1.2626414449441667
Energy: 1.2375802224028367
Energy: 1.332801505343614
Energy: 1.531743293834926
Energy: 1.3328015053449331
Energy: 1.251849659260253
Energy: 1.5311789924981902
Energy: 1.8293036405569345
Energy: 1.5311789924995094
Energy: 1.4947812358061323
Energy: 1.601907277429339
Energy: 1.5092471121719284
Energy: 1.6019072774306584
Energy: 1.5134572936064217
Energy: 1.5213814555459884
Energy: 1.472315481429183
Energy: 1.521381455544669
Energy: 1.595053630844341
Energy: 1.5208742174379362
Energy: 1.2939875492234696
Energy: 1.520874217436617
Energy: 1.5136753397183895
Energy: 1.3303734040925794
Energy: 1.2582316918511767
Energy: 1.330373404095218
Energy: 1.5407262597420972
Energy: 1.2654850729634894
Energy: 1.286295992455891
Energy: 1.2654850729661284
Energy: 1.7307540646478812
Energy: 1.352352386499817
Energy: 1.3006124680215567
Energy: 1.3523523864958593
Energy: 1.605929848956436
Energy: 1.5494983009902545
Energy: 1.54216864035005
Energy: 1.5494983009889352
Energy: 1.5293530222327725
Energy: 1.6041160472093623
Energy: 1.5201403923560923
Energy: 1.6041160472120009
Energy: 1.3886740900643066
Energy: 1.7172110231050466
Energy: 1.6120901157081002
Energy: 1.717211023102408
Energy: 1.2465347498195345
Energy: 1.4331625906636098
Energy: 1.514717949520842
Energy: 1.4331625906622905
Energy: 1.304305572132412
Energy: 1.4057274600651852
Energy: 1.5131994045454478
Energy: 1.4057274600651852
Energy: 1.3960115190047848
Energy: 1.3811444738116632
Energy: 1.566803449757982
Energy: 1.3811444738090546
Energy: 1.4985347213826288
Energy: 1.3848547545114227
Energy: 2.246213937199584
Energy: 1.3848547545101035
Energy: 1.5127356342893667
Energy: 1.5039793605653131
Energy: 1.5139474620637645
Energy: 1.5039793605639937
Energy: 1.4427499587151342
Energy: 1.4817551938571811
Energy: 1.5481601134722753
Energy: 1.4817551938558617
Energy: 1.419330694412751
Energy: 1.5136430128051108
Energy: 1.4309097583820853
Energy: 1.5136430128051108
Energy: 1.6247591161598451
Energy: 1.530097329120731
Energy: 1.4431190237735314
Energy: 1.530097329126008
Energy: 1.5675100573848646
Energy: 1.504090703086271
Energy: 1.5553608145373026
Energy: 1.5040907030875903
Energy: 2.5247969957046403
Energy: 1.3601686683410383
Energy: 1.550721676984202
Energy: 1.360168668339719

minimum gb energy = 1.2375802224028367 eV
minimum distance =  2.35291250768643 Angstroms
sigma value = 53


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

Energy: 1.1718807957067665
Energy: 1.7326258454925283
Energy: 1.2444924431178193
Energy: 1.2881094297122093
Energy: 1.3420818180548084
Energy: 1.3000050881509484
Energy: 1.237480423975998
Energy: 1.3000050881503618
Energy: 1.3188112176810294
Energy: 1.3201133432352392
Energy: 1.240617255909944
Energy: 1.3201133432407273
Energy: 1.3183928746081053
Energy: 1.3100053673305179
Energy: 1.3161610034276452
Energy: 1.310005367328723
Energy: 1.3696671308542294
Energy: 1.3468008919835615
Energy: 1.3143045346927316
Energy: 1.3468008919777632
Energy: 1.3211986962553883
Energy: 1.3130966694804287
Energy: 1.3147067890324393
Energy: 1.3130966694825341
Energy: 1.3148360990039334
Energy: 1.3217624356562434
Energy: 1.1740138648855263
Energy: 1.3217624356568645
Energy: 1.2403065446577628
Energy: 1.3329141163487748
Energy: 1.1752394876438124
Energy: 1.332914116358508
Energy: 1.240801663779831
Energy: 1.30067182495005
Energy: 1.31529814665588
Energy: 1.3006718249506715
Energy: 1.2355981465441466
Energy: 1.3158262286349818
Energy: 1.3199453575884086
Energy: 1.3158262286346714
Energy: 1.3152671050223588
Energy: 1.3489978561171792
Energy: 1.365180931179358
Energy: 1.3489978561171792
Energy: 1.3126612945339817
Energy: 1.3121893419808992
Energy: 1.3214148119378053
Energy: 1.3121893419811752
Energy: 1.1749161047927996
Energy: 1.3188363306174196
Energy: 1.3171124262567722
Energy: 1.3188363306213886

minimum gb energy = 1.1718807957067665 eV
minimum distance =  2.32560923186421 Angstroms
sigma value = 9


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

Energy: 2.1903935217812127
Energy: 2.1850367846220013
Energy: 1.9826701920593701
Energy: 2.108110972146207
Energy: 1.5860160633377192
Energy: 1.563296506963627
Energy: 1.554757158997374
Energy: 1.563296506961379
Energy: 1.461503732888593
Energy: 1.469998726915466
Energy: 1.4759032076007008
Energy: 1.4699987269165904
Energy: 1.439290194007673
Energy: 1.486405277450666
Energy: 1.3990665306202332
Energy: 1.4864052774540386
Energy: 1.3854838113324004
Energy: 1.4740958340354597
Energy: 1.456240018869439
Energy: 1.4740958340377082
Energy: 1.5458041630707957
Energy: 1.6423837814685434
Energy: 1.4985206713362964
Energy: 1.6423837814674191
Energy: 1.5663001201836497
Energy: 1.5120308340375967
Energy: 1.9146295350114626
Energy: 1.5120308340353485
Energy: 1.683147875992342
Energy: 1.5364147515328868
Energy: 1.8878784103210502
Energy: 1.5364147515295143
Energy: 1.6069997214282339
Energy: 1.6590452540909386
Energy: 1.6073069912575801
Energy: 1.6590452540898142
Energy: 1.4729318278830623
Energy: 1.5818543713452893
Energy: 1.4224979705492167
Energy: 1.5818543713497861
Energy: 1.5860578722251117
Energy: 1.4246774150807913
Energy: 1.316003206435072
Energy: 1.4246774150830392
Energy: 1.6468602407024193
Energy: 1.4749847013592303
Energy: 1.4580293821185644
Energy: 1.4749847013592303
Energy: 1.8904739669913526
Energy: 1.3916162155314056
Energy: 1.433366334930125
Energy: 1.3916162155314056
Energy: 1.9258363126605726
Energy: 1.5319924277705506
Energy: 1.8001467066646744
Energy: 1.5319924277694263
Energy: 1.7185181805749647
Energy: 1.736133953286922
Energy: 1.8387289938902456
Energy: 1.736133953286922
Energy: 1.588391602845475
Energy: 1.7089658759805448
Energy: 1.716645765021497
Energy: 1.7089658759805448
Energy: 1.3084813833201923
Energy: 1.3052174588280776
Energy: 1.7725652940717553
Energy: 1.3052174588247054
Energy: 1.4128443323985518
Energy: 1.4691522886713544
Energy: 1.869940816889812
Energy: 1.4691522886758506
Energy: 1.3588212128477684
Energy: 1.342402153625096
Energy: 1.9140753888756703
Energy: 1.342402153625096
Energy: 1.518225433265807
Energy: 1.8839164553691992
Energy: 1.8253515394335136
Energy: 1.8839164553680747
Energy: 1.6898498457767983
Energy: 1.7729527984748792
Energy: 1.9277092244227019
Energy: 1.7729527984760032
Energy: 1.8343512722524824
Energy: 1.4749113974573316
Energy: 1.844714378495587
Energy: 1.4749113974550832
Energy: 1.8160063119827976
Energy: 1.3272755768262998
Energy: 1.3736614850268314
Energy: 1.3272755768251758
Energy: 1.8626319960333628
Energy: 1.4906300111363981
Energy: 1.3914918926616404
Energy: 1.490630011142019
Energy: 1.7383573878344107
Energy: 1.3005244717929751
Energy: 1.3206996576537582
Energy: 1.3005244717940994
Energy: 1.5842507022743126
Energy: 1.6544177165202592
Energy: 1.3690884611192755
Energy: 1.6544177165202592
Energy: 1.7492613654534686
Energy: 1.5864262315462123
Energy: 1.8182004015529756
Energy: 1.586426231550709
Energy: 1.7390237739105878
Energy: 1.412433657865173
Energy: 1.9535589025848747
Energy: 1.4124336578640488
Energy: 1.4500275557041837
Energy: 1.4485612478305618
Energy: 1.8718249015511996
Energy: 1.4485612478654106
Energy: 1.4323791958993568
Energy: 1.4960801729387956
Energy: 1.8532640640022187
Energy: 1.4960801729421678
Energy: 1.368792078740473
Energy: 1.4728781067015995
Energy: 1.6508937111470787
Energy: 1.4728781067015995
Energy: 1.3460928160396681
Energy: 1.4207752350279677
Energy: 1.562919020136885
Energy: 1.420775235024595
Energy: 1.4125843121227515
Energy: 1.5400553852877545
Energy: 1.5538703461194363
Energy: 1.5400553852888788
Energy: 1.5846447237110912
Energy: 1.7311346790067554
Energy: 1.6379795557401913
Energy: 1.7311346790067554
Energy: 1.830771643295259
Energy: 1.5516279850276593
Energy: 1.677562327827318
Energy: 1.5516279850276593

minimum gb energy = 1.3005244717929751 eV
minimum distance =  2.33717078273156 Angstroms
sigma value = 73


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

Energy: 2.0697042927925766
Energy: 2.149677695516061
Energy: 1.5671163898286995
Energy: 2.0157057044782034
Energy: 1.7632723157894634
Energy: 1.5829231084567128
Energy: 1.5372842041440298
Energy: 1.5829231084602797
Energy: 1.5547723667700633
Energy: 1.5393564862120952
Energy: 1.5045097504888878
Energy: 1.539356486211386
Energy: 1.4444804643804532
Energy: 1.496689689230943
Energy: 1.416013719805256
Energy: 1.4966896892346724
Energy: 1.4222827230911124
Energy: 1.510382168899183
Energy: 1.4741951308010321
Energy: 1.510382168900622
Energy: 1.5101499604879332
Energy: 1.6867463804192206
Energy: 1.5474113460533643
Energy: 1.6867463804231324
Energy: 1.5557702062604024
Energy: 1.541109494888088
Energy: 1.9546187578711978
Energy: 1.541109494887561
Energy: 1.7257908979661833
Energy: 1.507247016409043
Energy: 1.9484455512648633
Energy: 1.5072470164083336
Energy: 1.7332595931985026
Energy: 1.520060153368122
Energy: 1.6749882424863947
Energy: 1.5200601533661562
Energy: 1.5609375980746478
Energy: 1.6383620657744111
Energy: 1.4220934204403184
Energy: 1.6383620657753026
Energy: 1.70460614192059
Energy: 1.3856298479553317
Energy: 1.3233184103467464
Energy: 1.3856298479549873
Energy: 1.6256184946516228
Energy: 1.4527235835972794
Energy: 1.4577114357347438
Energy: 1.4527235835972794
Energy: 1.706875695591235
Energy: 1.3704300984824662
Energy: 1.3896736426586889
Energy: 1.3704300984821012
Energy: 1.7290652471336236
Energy: 1.3522972342956296
Energy: 1.8588838279158937
Energy: 1.3522972342959743
Energy: 1.9969227733282884
Energy: 1.8091672129533702
Energy: 1.8230530129870623
Energy: 1.809167212954789
Energy: 1.7022018156357348
Energy: 1.6989328149995537
Energy: 1.8534892409572334
Energy: 1.6989328149998983
Energy: 1.3514542271169865
Energy: 1.3492273057418813
Energy: 1.8395507973208887
Energy: 1.3492273057420638
Energy: 1.4476384505062356
Energy: 1.4631095698928782
Energy: 1.7467221252946203
Energy: 1.4631095698928782
Energy: 1.3636243531516914
Energy: 1.3771261141378646
Energy: 1.6945279517427927
Energy: 1.3771261141382292
Energy: 1.4245113430482443
Energy: 1.5909349449530046
Energy: 1.7784191270146739
Energy: 1.5909349449490928
Energy: 1.8195883298953384
Energy: 1.4709266201969955
Energy: 1.7059118806000968
Energy: 1.4709266201985967
Energy: 1.9186263421386607
Energy: 1.5301367019905854
Energy: 1.7876168641447865
Energy: 1.5301367019914567

minimum gb energy = 1.3233184103467464 eV
minimum distance =  2.31787532770147 Angstroms
sigma value = 7


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

Energy: 2.503446246146725
Energy: 2.1269239051520117
Energy: 1.8321914368940122
Energy: 1.9553547661408968
Energy: 1.7512868118915936
Energy: 1.5935496259477901
Energy: 1.5260505995118185
Energy: 1.5935496259477901
Energy: 1.706952293313238
Energy: 1.530354647249537
Energy: 1.5107714053410948
Energy: 1.530354647249537
Energy: 1.4912535443117847
Energy: 1.4767799869831117
Energy: 1.439132783233047
Energy: 1.4767799869818505
Energy: 1.4319715650217284
Energy: 1.4868316190117223
Energy: 1.5105764811760691
Energy: 1.4868316190142448
Energy: 1.500863462180103
Energy: 1.6446543125523114
Energy: 1.5966835542391238
Energy: 1.6446543125523114
Energy: 1.56813564441142
Energy: 1.5683639526200248
Energy: 1.8081843687812453
Energy: 1.5683639526175026
Energy: 1.8543665289444073
Energy: 1.4835667776366988
Energy: 1.780998923734252
Energy: 1.483566777639221
Energy: 1.8555154151916275
Energy: 1.5774518522344623
Energy: 1.7347418037614453
Energy: 1.5774518522206182
Energy: 1.636209464680503
Energy: 1.4844953675451018
Energy: 1.4910310054967253
Energy: 1.4844953675451018
Energy: 1.8480129354295334
Energy: 1.4311485527207217
Energy: 1.325499705435041
Energy: 1.4311485527257375
Energy: 1.7700449546342496
Energy: 1.4586128581258104
Energy: 1.4470918525500984
Energy: 1.4586128581270714
Energy: 1.7759941941016317
Energy: 1.3304657454359805
Energy: 1.447205816226266
Energy: 1.3304657454397641
Energy: 1.7590947124122223
Energy: 1.47613598904855
Energy: 1.7689179346061303
Energy: 1.4761359890535943
Energy: 1.783672636132144
Energy: 1.4224634772012585
Energy: 1.7494486733970491
Energy: 1.4224634771949527
Energy: 1.6253516657484801
Energy: 1.8956935403196067
Energy: 2.0594114647890396
Energy: 1.8956935403196067
Energy: 1.5112598781953313
Energy: 1.5037578998108234
Energy: 1.9789200699287899
Energy: 1.5037578998108234
Energy: 1.531638317545596
Energy: 1.5510936032398195
Energy: 1.7066302249509582
Energy: 1.5510936032410807
Energy: 1.4314372415183607
Energy: 1.559535545586529
Energy: 1.4960250006772404
Energy: 1.559535545586529
Energy: 1.488214561439617
Energy: 1.520798255733564
Energy: 1.4833093544586011
Energy: 1.520798255733564
Energy: 1.5949873604011047
Energy: 1.6252616770856307
Energy: 1.510218945141463
Energy: 1.625261677081847
Energy: 1.7815108067830485
Energy: 1.5198175297655054
Energy: 1.5679473350048654
Energy: 1.5198175297604608
Energy: 1.80849835115148
Energy: 1.508919815929662
Energy: 1.8374734380823072
Energy: 1.508919815929662
Energy: 1.7341454756830084
Energy: 1.6952143025005277
Energy: 1.8543740731867362
Energy: 1.6952143025043112
Energy: 1.4923250729362745
Energy: 1.4867606435811391
Energy: 1.6348923457828466
Energy: 1.4867606435773557
Energy: 1.3465892455641906
Energy: 1.3374064386222446
Energy: 1.5327682231295412
Energy: 1.3374064386197226
Energy: 1.4695358198839767
Energy: 1.4901880945629566
Energy: 1.7710050282064127
Energy: 1.4901880945591732
Energy: 1.3840802741629967
Energy: 1.3315505060154424
Energy: 1.7820046392096902
Energy: 1.3315505060192256
Energy: 1.4079415571858709
Energy: 1.8168920602491094
Energy: 1.7688017128108706
Energy: 1.816892060254154
Energy: 1.749167178513496
Energy: 1.469784920503781
Energy: 1.7691138094192975
Energy: 1.4697849205100866
Energy: 1.9489483258717313
Energy: 1.6502735768829588
Energy: 1.8619951331934337
Energy: 1.6502735768842198

minimum gb energy = 1.325499705435041 eV
minimum distance =  2.30833960417154 Angstroms
sigma value = 29


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

Energy: 1.7363748919376847
Energy: 1.8911676181255819
Energy: 1.6834743945967108
Energy: 1.6009351788865347
Energy: 1.4788324065608793
Energy: 1.3601269860487812
Energy: 1.4816151835125064
Energy: 1.3601269860487812
Energy: 1.5835238952049537
Energy: 1.3875061898876515
Energy: 1.3846803075640406
Energy: 1.3875061898876515
Energy: 1.4504002069401307
Energy: 1.2987191294973806
Energy: 1.2022039059370502
Energy: 1.298719129498674
Energy: 1.387573243734216
Energy: 1.4523865601251469
Energy: 1.5186687721738859
Energy: 1.4523865601247075
Energy: 1.3642226645314321
Energy: 1.3649456282736365
Energy: 1.5187339115072165
Energy: 1.3649456282736365
Energy: 1.742815403327056
Energy: 1.6538579844712655
Energy: 1.4620574566962243
Energy: 1.6538579844665309
Energy: 1.4689175138607113
Energy: 1.3780833925687428
Energy: 1.4143355573545733
Energy: 1.3780833925708904
Energy: 1.5168985594044422
Energy: 1.3645767858090476
Energy: 1.4998531090707177
Energy: 1.3645767858094868

minimum gb energy = 1.2022039059370502 eV
minimum distance =  2.3407033565075 Angstroms
sigma value = 5


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

Energy: 2.01592819709507
Energy: 1.903831249015546
Energy: 1.9002771440062496
Energy: 1.8701058091946479
Energy: 1.8717121966073347
Energy: 1.7570501978795274
Energy: 1.6910404645527133
Energy: 1.7570501978783364
Energy: 1.4936091419409137
Energy: 1.443455505550742
Energy: 1.6764628319544035
Energy: 1.4434555055519336
Energy: 1.302405101452741
Energy: 1.5676147353903493
Energy: 1.7023344136136715
Energy: 1.5676147353867753
Energy: 1.3418677565155712
Energy: 1.4379302035789236
Energy: 1.6031261475456051
Energy: 1.4379302035801151
Energy: 1.3061886017849946
Energy: 1.4943705589887584
Energy: 1.554425749402115
Energy: 1.4943705589887584
Energy: 1.2935120104931908
Energy: 1.5441784755814087
Energy: 1.59095853980495
Energy: 1.5441784755814087
Energy: 1.4550316840675743
Energy: 1.5439693160222978
Energy: 1.5109914104716355
Energy: 1.5439693160222978
Energy: 1.6324202768985556
Energy: 1.5573673251250602
Energy: 1.5339042741704958
Energy: 1.5573673251238689
Energy: 1.89546222709349
Energy: 1.849334351258964
Energy: 1.6330351463969757
Energy: 1.849334351258964
Energy: 1.9362068964519454
Energy: 1.5799215873466907
Energy: 1.8778621947232497
Energy: 1.5799215873478822
Energy: 1.8134584761744073
Energy: 1.5746108720884908
Energy: 1.880614723140794
Energy: 1.5746108720825338
Energy: 1.6016240222954439
Energy: 1.5594579718255481
Energy: 1.9008177807013793
Energy: 1.5594579718231654
Energy: 1.5634485449697861
Energy: 1.5526943206759758
Energy: 1.6986143864483796
Energy: 1.5526943206771675
Energy: 1.5560364033062566
Energy: 1.5255166183946756
Energy: 1.2975183517921358
Energy: 1.5255166183946756
Energy: 1.4728539636588094
Energy: 1.5270560369381048
Energy: 1.390581387145066
Energy: 1.5270560369392963
Energy: 1.550918420752456
Energy: 1.5311548381659381
Energy: 1.3748773850085974
Energy: 1.5311548381683204
Energy: 1.6225884770331205
Energy: 1.353118877247726
Energy: 1.3303292036230743
Energy: 1.3531188772382496
Energy: 1.849256529250028
Energy: 1.6330117693094148
Energy: 1.3635955658764252
Energy: 1.6330117693094148
Energy: 1.7670980554814313
Energy: 1.5139828098396795
Energy: 1.7449729809610708
Energy: 1.5139828098361054
Energy: 1.7144586571689482
Energy: 1.7638333822433259
Energy: 1.898693065648615
Energy: 1.7638333822433259
Energy: 1.90586610421437
Energy: 1.7255154557626804
Energy: 1.904468384578941
Energy: 1.7255154557626804
Energy: 1.8791733060160423
Energy: 1.5182698776488381
Energy: 1.783467303452285
Energy: 1.5182698776488381
Energy: 1.8586158764288467
Energy: 1.4693360352950464
Energy: 1.5080677308150647
Energy: 1.4693360352926639
Energy: 1.724732076237484
Energy: 1.3994943072069552
Energy: 1.3940603556967635
Energy: 1.3994943072057642
Energy: 1.432104307443826
Energy: 1.4796358389761446
Energy: 1.4365788249577462
Energy: 1.4796358389749535
Energy: 1.3605476761163495
Energy: 1.5244692503823027
Energy: 1.4799896124877658
Energy: 1.5244692503811115
Energy: 1.3972570710970418
Energy: 1.5089620844150968
Energy: 1.3911178589685094
Energy: 1.5089620844150968
Energy: 1.4322485247207548
Energy: 1.4792925649770194
Energy: 1.5464013567178343
Energy: 1.4792925649770194
Energy: 1.421453063518422
Energy: 1.3777724394027304
Energy: 1.7492837978684153
Energy: 1.3777724394027304
Energy: 1.5991739778192897
Energy: 1.4534258489231056
Energy: 1.7401162232496645
Energy: 1.453425848924297
Energy: 1.7864890929741155
Energy: 1.4274000373786178
Energy: 1.8126314799026162
Energy: 1.427400037381
Energy: 1.8065992310443832
Energy: 1.803282623745908
Energy: 1.8953941545288688
Energy: 1.803282623745908

minimum gb energy = 1.2935120104931908 eV
minimum distance =  2.26003951090747 Angstroms
sigma value = 1


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

Energy: 2.0456621035821834
Energy: 1.7046584479655764
Energy: 1.6912336143910618
Energy: 1.584797625053024
Energy: 1.5114461235364918
Energy: 1.4758755366640015
Energy: 1.451800200509662
Energy: 1.4758755366623544
Energy: 1.3826980373890239
Energy: 1.3859225966678395
Energy: 1.4980511254639521
Energy: 1.3859225966678395
Energy: 1.2706761414962406
Energy: 1.3783265634424953
Energy: 1.3405590896576995
Energy: 1.3783265634424953
Energy: 1.3957463590814974
Energy: 1.3952380345248159
Energy: 1.3001902351274226
Energy: 1.3952380345248159
Energy: 1.3117433825382918
Energy: 1.3777944602078402
Energy: 1.4519873221956066
Energy: 1.3777944602078402
Energy: 1.2717241602262574
Energy: 1.517888796693703
Energy: 1.4923033143297681
Energy: 1.517888796693703
Energy: 1.6721916836556208
Energy: 1.4493163241772484
Energy: 1.4894949831316604
Energy: 1.449316324175601
Energy: 1.673169757251585
Energy: 1.4504062833326647
Energy: 1.4573230998799123
Energy: 1.4504062833343119
Energy: 1.7317818820974678
Energy: 1.6092082810117805
Energy: 1.6075044905129732
Energy: 1.6092082810117805
Energy: 1.527901360353664
Energy: 1.343995489193307
Energy: 1.6556040888486991
Energy: 1.34399548919166
Energy: 1.6711683306843583
Energy: 1.447036613686966
Energy: 1.8793013209673313
Energy: 1.447036613686966
Energy: 1.4148842977394414
Energy: 1.52589235128752
Energy: 1.8797646757818323
Energy: 1.52589235128752
Energy: 1.455614107722723
Energy: 1.4441435889776322
Energy: 1.515638665549615
Energy: 1.4441435889776322
Energy: 1.2842552073775657
Energy: 1.3957784378056328
Energy: 1.3779895763620464
Energy: 1.3957784378056328
Energy: 1.2804615703328006
Energy: 1.3809284545157106
Energy: 1.2867868590254756
Energy: 1.3809284545157106
Energy: 1.4337863511233657
Energy: 1.5273597705753659
Energy: 1.3937586675677351
Energy: 1.527359770577013
Energy: 1.4545096747913269
Energy: 1.381037777028288
Energy: 1.2750446945377225
Energy: 1.381037777028288
Energy: 1.594878161594071
Energy: 1.527130375121753
Energy: 1.269888002927505
Energy: 1.5271303751234004
Energy: 1.67177596702716
Energy: 1.4598270077003528
Energy: 1.6722563073226975
Energy: 1.4598270077003528
Energy: 1.4762229915863543
Energy: 1.4771394017198443
Energy: 1.6083839805917193
Energy: 1.4771394017214914
Energy: 1.7209946001489949
Energy: 1.4785859976936866
Energy: 1.588334046341585
Energy: 1.478585997695334
Energy: 1.6673096117225616
Energy: 1.3470913458488185
Energy: 1.6724952005126725
Energy: 1.3470913458488185
Energy: 1.8799829503779886
Energy: 1.5264329672639985
Energy: 1.4204975927759869
Energy: 1.5264329672639985

minimum gb energy = 1.269888002927505 eV
minimum distance =  2.29338072997623 Angstroms
sigma value = 17


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

Energy: 2.1272808323921955
Energy: 1.8855180142776335
Energy: 1.8111012946015035
Energy: 1.828908950532221
Energy: 1.5768410103072699
Energy: 1.7624086758860775
Energy: 1.705753981541564
Energy: 1.76240867589015
Energy: 1.4887133869390436
Energy: 1.3644403545949886
Energy: 1.684487010815218
Energy: 1.3644403545960067
Energy: 1.344129145082088
Energy: 1.4929446930042822
Energy: 1.7174847091744239
Energy: 1.4929446930022459
Energy: 1.3611467932542565
Energy: 1.339755487383295
Energy: 1.546897142157361
Energy: 1.3397554873843132
Energy: 1.3422418356561387
Energy: 1.4803154765102147
Energy: 1.405631764580117
Energy: 1.4803154765132693
Energy: 1.3470197862545947
Energy: 1.4767994089268464
Energy: 1.4731504032242084
Energy: 1.4767994089278644
Energy: 1.5542842855310475
Energy: 1.5288557529703146
Energy: 1.3520803273630944
Energy: 1.5288557529723508
Energy: 1.6020304614429903
Energy: 1.3328994398359377
Energy: 1.3220754987097476
Energy: 1.3328994398349199
Energy: 1.7645577883721622
Energy: 1.4853221882925558
Energy: 1.3487872321185406
Energy: 1.4853221882905199
Energy: 1.724765144731559
Energy: 1.415200729043515
Energy: 1.5718891415306269
Energy: 1.4152007290424966
Energy: 1.6747755415184498
Energy: 1.712917322216056
Energy: 1.8785273199934818
Energy: 1.7129173222231828
Energy: 1.868081573819697
Energy: 1.7109502238873193
Energy: 1.9056292057263027
Energy: 1.7109502238873193
Energy: 1.8272755192041437
Energy: 1.433682406830633
Energy: 1.7345810300061737
Energy: 1.4336824068245246
Energy: 1.771854166865997
Energy: 1.5672031217868427
Energy: 1.6068627808921923
Energy: 1.5672031217837887
Energy: 1.829257015448342
Energy: 1.3317656366918111
Energy: 1.4175723440914327
Energy: 1.3317656366938473
Energy: 1.4861668739129574
Energy: 1.526125276880212
Energy: 1.458482945437293
Energy: 1.5261252768832663
Energy: 1.279969814680491
Energy: 1.5212092178013834
Energy: 1.5105268360939519
Energy: 1.5212092178044379
Energy: 1.34386509234223
Energy: 1.4884741577149134
Energy: 1.485614580571188
Energy: 1.4884741577159317
Energy: 1.3471233528613036
Energy: 1.4566140723403647
Energy: 1.6086081500108975
Energy: 1.4566140723413827
Energy: 1.345568737974269
Energy: 1.535575215480316
Energy: 1.6261514550755791
Energy: 1.535575215480316
Energy: 1.3473003808986899
Energy: 1.5332457637985546
Energy: 1.6724599275387442
Energy: 1.533245763799573
Energy: 1.4881151279588674
Energy: 1.6110321140149164
Energy: 1.6141764963118244
Energy: 1.6110321140128798
Energy: 1.819952161947512
Energy: 1.5984465772309933
Energy: 1.600813309700641
Energy: 1.5984465772320116
Energy: 1.79320710202626
Energy: 1.53810947164282
Energy: 1.7316462545522406
Energy: 1.538109471643838
Energy: 1.7848086059743677
Energy: 1.63773458064819
Energy: 1.9006079783273921
Energy: 1.6377345806430994
Energy: 1.6643373228002214
Energy: 1.6815833273896788
Energy: 2.0996875911153214
Energy: 1.6815833273886607
Energy: 1.5392376151343294
Energy: 1.539776646748801
Energy: 1.7057193148786853
Energy: 1.5397766467498193
Energy: 1.5612955316112367
Energy: 1.5244092703829504
Energy: 1.6036669865525182
Energy: 1.524409270380914
Energy: 1.641084092404695
Energy: 1.5188706265481136
Energy: 1.2741524290411523
Energy: 1.5188706265470957
Energy: 1.6384115225733527
Energy: 1.2744438470313364
Energy: 1.2969913852196635
Energy: 1.2744438470293
Energy: 1.6163426926650841
Energy: 1.4381693221601108
Energy: 1.3015240254822327
Energy: 1.4381693221570564
Energy: 1.526569691818661
Energy: 1.5039677529617748
Energy: 1.2910408750013802
Energy: 1.5039677529607567
Energy: 1.4505614184778026
Energy: 1.5195094503826294
Energy: 1.562652329477394
Energy: 1.5195094503805933
Energy: 1.4053259177196378
Energy: 1.42021917103711
Energy: 1.6125380787517944
Energy: 1.420219171047291
Energy: 1.5097922246965365
Energy: 1.5050025676591472
Energy: 2.0291751449454174
Energy: 1.5050025676581291
Energy: 1.7364835474760878
Energy: 1.3738530239035491
Energy: 1.8766443246193754
Energy: 1.3738530239075752
Energy: 1.833992305723155
Energy: 1.7267741841497273
Energy: 1.7367500872835497
Energy: 1.7267741841507456

minimum gb energy = 1.2741524290411523 eV
minimum distance =  2.27276162849895 Angstroms
sigma value = 89


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

Energy: 2.241244358759342
Energy: 1.607161450000393
Energy: 1.523677319840051
Energy: 1.558387234468324
Energy: 1.7621190659244212
Energy: 1.4459354114985126
Energy: 1.4344964646648433
Energy: 1.44593541149824
Energy: 1.3545559859717422
Energy: 1.353302428642779
Energy: 1.3718070854202147
Energy: 1.3533024286430513
Energy: 1.2323227917489585
Energy: 1.4929226564239861
Energy: 1.4252964656783287
Energy: 1.4929226564237135
Energy: 1.303370253155551
Energy: 1.3207326835569726
Energy: 1.3723032253166227
Energy: 1.3207326835572146
Energy: 1.3049408319324862
Energy: 1.419849602724212
Energy: 1.383111201030295
Energy: 1.419849602724999
Energy: 1.2929923366834908
Energy: 1.4114460936521702
Energy: 1.4464795350219006
Energy: 1.4114460936521702
Energy: 1.3747192749256167
Energy: 1.4783686289226246
Energy: 1.301155536710843
Energy: 1.4783686289244709
Energy: 1.5217750645831363
Energy: 1.2968361628733407
Energy: 1.2830996711213578
Energy: 1.296836162873583
Energy: 1.6905946880274094
Energy: 1.312170307429109
Energy: 1.323165365623646
Energy: 1.3121703074288362
Energy: 1.6548810764930624
Energy: 1.3763165413923675
Energy: 1.4161437409359576
Energy: 1.3763165413918224
Energy: 1.5434137400881025
Energy: 1.5516768421340765
Energy: 1.6237471938384214
Energy: 1.5516768421353782
Energy: 1.55581119339067
Energy: 1.5535105187649854
Energy: 1.6172931492145668
Energy: 1.5535105187652274
Energy: 1.9286916855278882
Energy: 1.4722604418758674
Energy: 1.4233499903718496
Energy: 1.4722604418758674
Energy: 1.696398858767297
Energy: 1.3197543812912615
Energy: 1.4274580418823728
Energy: 1.3197543812949848

minimum gb energy = 1.2323227917489585 eV
minimum distance =  2.32335981827327 Angstroms
sigma value = 13


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

Energy: 1.754482382165394
Energy: 1.603395844222965
Energy: 1.5407485607896125
Energy: 1.5209766868280683
Energy: 1.562282224380859
Energy: 1.4321754863479113
Energy: 1.2820440991708584
Energy: 1.4321754863479113
Energy: 1.3716741761464708
Energy: 1.304985845685691
Energy: 1.5089138348860538
Energy: 1.304985845685691
Energy: 1.2351355388570129
Energy: 1.4466797688315638
Energy: 1.4315497987919048
Energy: 1.4466797688293305
Energy: 1.3191367687782003
Energy: 1.3965359134747297
Energy: 1.4487183018276204
Energy: 1.3965359134736637
Energy: 1.315966816443074
Energy: 1.373847481152813
Energy: 1.3045757929802748
Energy: 1.3738474811539294
Energy: 1.4220844175967975
Energy: 1.367358489663959
Energy: 1.3341895101079322
Energy: 1.367358489663959
Energy: 1.4244956654575096
Energy: 1.4861714245851536
Energy: 1.289498197262108
Energy: 1.486171424584037
Energy: 1.4299428042846336
Energy: 1.3165112656941436
Energy: 1.2122168382432568
Energy: 1.31651126569526
Energy: 1.3747267753022905
Energy: 1.3217185261359694
Energy: 1.2193869945419804
Energy: 1.3217185261359694
Energy: 1.2961975681916165
Energy: 1.561384467435533
Energy: 1.5020306220422435
Energy: 1.5613844674344166
Energy: 1.2871585774734091
Energy: 1.3768293525870656
Energy: 1.5043858649699262
Energy: 1.3768293525848325
Energy: 1.352788273540983
Energy: 1.3791393625700057
Energy: 1.4983985610363446
Energy: 1.3791393625666564
Energy: 1.3657817315913485
Energy: 1.3800455052607468
Energy: 1.6235016343015993
Energy: 1.3800455052607468
Energy: 1.6590367173832137
Energy: 1.6513877098572123
Energy: 1.4684108208785602
Energy: 1.6513877098616783
Energy: 1.6721962364535545
Energy: 1.499662958703659
Energy: 1.6550851421447608
Energy: 1.4996629587070087
Energy: 1.3697677792723908
Energy: 1.377682653795067
Energy: 1.870781311067317
Energy: 1.3776826537973
Energy: 1.3506891523102105
Energy: 1.4006974705683937
Energy: 1.50914119893504
Energy: 1.4006974705672772
Energy: 1.2861825212102806
Energy: 1.3597494592987778
Energy: 1.692419669160204
Energy: 1.3597494592987778
Energy: 1.2830200681781079
Energy: 1.3099964296481474
Energy: 1.7302673801482784
Energy: 1.3099964296470308
Energy: 1.7572191073215753
Energy: 1.4453227269108464
Energy: 1.2058546318514218
Energy: 1.4453227269108464
Energy: 1.32206931349707
Energy: 1.3111790419881653
Energy: 1.3220779186534
Energy: 1.3111790419881653
Energy: 1.3088840402202284
Energy: 1.3843961545649481
Energy: 1.2994578758943345
Energy: 1.3843961545638317
Energy: 1.273394353151307
Energy: 1.3671044885607748
Energy: 1.3497383734631911
Energy: 1.3671044885607748
Energy: 1.2136845525921813
Energy: 1.3651011026423103
Energy: 1.4247662431307953
Energy: 1.36510110264566
Energy: 1.2249753131154033
Energy: 1.3223568632055123
Energy: 1.426491861180545
Energy: 1.3223568632032792
Energy: 1.2048811059857854
Energy: 1.3099729915731861
Energy: 1.588993880378618
Energy: 1.3099729915743026
Energy: 1.4997610314146312
Energy: 1.5035486032971146
Energy: 1.2978547728668224
Energy: 1.5035486032982315
Energy: 1.3511827979910072
Energy: 1.3749645667936317
Energy: 1.2793663798367965
Energy: 1.374964566792515
Energy: 1.4051854461557067
Energy: 1.4142844883650305
Energy: 1.3504657495074608
Energy: 1.414284488363914
Energy: 1.6267430620533283
Energy: 1.3819688622607371
Energy: 1.3652816164635593
Energy: 1.3819688622618536
Energy: 1.5690367405221484
Energy: 1.5003090130206118
Energy: 1.6601582066064737
Energy: 1.500309013022845
Energy: 1.4771715107644605
Energy: 1.6521233781925095
Energy: 1.6720946738259497
Energy: 1.6521233781913929
Energy: 1.8691593951936418
Energy: 1.5070500045236936
Energy: 1.3652943845533205
Energy: 1.5070500045236936
Energy: 1.6529814578884567
Energy: 1.3338271765019085
Energy: 1.3529240110444956
Energy: 1.3338271764996756

minimum gb energy = 1.2048811059857854 eV
minimum distance =  2.2989190624681 Angstroms
sigma value = 37


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

Energy: 1.8517685990611437
Energy: 1.5231448580819353
Energy: 1.4678348771088052
Energy: 1.4468023948750095
Energy: 1.6273304562883282
Energy: 1.3473534086642178
Energy: 1.25403552152069
Energy: 1.347353408664414
Energy: 1.3135923013761024
Energy: 1.26693466459519
Energy: 1.3475528245705792
Energy: 1.26693466459519
Energy: 1.2694102268066778
Energy: 1.3903136687573094
Energy: 1.3313128220555148
Energy: 1.3903136687569382
Energy: 1.2996390137489124
Energy: 1.2492805702678924
Energy: 1.5000771689118033
Energy: 1.24928057026846
Energy: 1.2080593857775555
Energy: 1.3532775950562697
Energy: 1.2415908482736608
Energy: 1.3532775950558984
Energy: 1.2001313697502058
Energy: 1.2800709771124565
Energy: 1.246453330879832
Energy: 1.2800709771132206
Energy: 1.3535318489372186
Energy: 1.4040203489918095
Energy: 1.2026666175233507
Energy: 1.4040203489923988
Energy: 1.318785995730905
Energy: 1.2720244061530432
Energy: 1.2200001745302447
Energy: 1.2720244061536108
Energy: 1.2207137203842402
Energy: 1.2788505459978834
Energy: 1.2450379848376392
Energy: 1.2788505459974906
Energy: 1.18055554073475
Energy: 1.3930869035816076
Energy: 1.3184252371301768
Energy: 1.393086903583332
Energy: 1.2579359321534795
Energy: 1.2929859964728287
Energy: 1.3461927470290294
Energy: 1.292985996473025
Energy: 1.2338389242312808
Energy: 1.2816694897196566
Energy: 1.273045774701349
Energy: 1.2816694897183032
Energy: 1.4225666964110222
Energy: 1.4036216589254478
Energy: 1.3304738777250444
Energy: 1.4036216589258406
Energy: 1.250478669776146
Energy: 1.3891100163985188
Energy: 1.2633244434993143
Energy: 1.3891100163987151
Energy: 1.545112266537704
Energy: 1.3406849068003042
Energy: 1.3001379213322652
Energy: 1.3406849067989726
Energy: 1.4531466841129377
Energy: 1.393698885785217
Energy: 1.7460048759426283
Energy: 1.3936988857854136
Energy: 1.4886565254182926
Energy: 1.4085698597802614
Energy: 1.5341128595160807
Energy: 1.4085698597800869
Energy: 1.313169797516941
Energy: 1.2664827599622703
Energy: 1.3954739953784876
Energy: 1.2664827599628377
Energy: 1.6082002036953043
Energy: 1.3434573032941417
Energy: 1.2998791321273995
Energy: 1.3434573032935742

minimum gb energy = 1.18055554073475 eV
minimum distance =  2.30952378753339 Angstroms
sigma value = 25


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

Energy: 1.9898430860603638
Energy: 1.438881199107629
Energy: 1.4250718288316315
Energy: 1.3020083019816346
Energy: 1.4508259392171623
Energy: 1.1736146134627492
Energy: 1.2999608477458524
Energy: 1.1736146135587158
Energy: 1.3166707025342907
Energy: 1.2540719666289086
Energy: 1.2873088848371617
Energy: 1.2540719666304085
Energy: 1.2263413633339748
Energy: 1.2703008445510093
Energy: 1.1589089612862926
Energy: 1.2703008445510093
Energy: 1.1579484621437612
Energy: 1.312555741125512
Energy: 1.401630316761334
Energy: 1.312555741125512
Energy: 1.1620371673724397
Energy: 1.1733894847588802
Energy: 1.31856436090566
Energy: 1.1733894847573805
Energy: 1.15891353810854
Energy: 1.1368609330208215
Energy: 1.1787388195883484
Energy: 1.1368609330193213
Energy: 1.2405320600258418
Energy: 1.2139750744517421
Energy: 1.1189703538458968
Energy: 1.213975074453242
Energy: 1.1736900217997641
Energy: 1.1543797397082227
Energy: 1.1299281770890544
Energy: 1.1543797397082227
Energy: 1.1462620064602036
Energy: 1.161116125715144
Energy: 1.1774894212227938
Energy: 1.161116125715144
Energy: 1.0701557436307494
Energy: 1.3985142933676844
Energy: 1.201221392901202
Energy: 1.3985142933676844
Energy: 1.1335036138123584
Energy: 1.1749168976942068
Energy: 1.0899510977215687
Energy: 1.1749168976942068
Energy: 1.1894667317576038
Energy: 1.1194137961830333
Energy: 1.0887808747608738
Energy: 1.1194137961815334
Energy: 1.1868049360453672
Energy: 1.2636358621839743
Energy: 1.0618282651630262
Energy: 1.2636358621854744
Energy: 1.1311427757470047
Energy: 1.1213406028622743
Energy: 1.2267599545892647
Energy: 1.1213406028622743
Energy: 1.1292561177244436
Energy: 1.213166390105934
Energy: 1.23317556951253
Energy: 1.213166390105934
Energy: 1.0975545191047784
Energy: 1.2850071867413124
Energy: 1.252636226342425
Energy: 1.2850071867398123
Energy: 1.1652738653453154
Energy: 1.1643769057931246
Energy: 1.1798749280693726
Energy: 1.1643769057931246
Energy: 1.2582631958292567
Energy: 1.2047249929865056
Energy: 1.220295223809663
Energy: 1.2047249929865056
Energy: 1.3049727032815017
Energy: 1.1593049886631819
Energy: 1.1924486973201696
Energy: 1.1593049886631819
Energy: 1.8422537850382952
Energy: 1.272227379060615
Energy: 1.3115251497218805
Energy: 1.272227379060615
Energy: 1.2739071243761835
Energy: 1.1720728995175593
Energy: 1.3218322206881081
Energy: 1.1720728995160594
Energy: 1.3563550724358935
Energy: 1.2962185983560428
Energy: 1.4800580370751086
Energy: 1.2962185983575427
Energy: 1.3350796263463327
Energy: 1.4448559616113736
Energy: 1.2616180547336804
Energy: 1.4448559616113736
Energy: 1.3083610015087532
Energy: 1.1732156760167156
Energy: 1.4724710934846141
Energy: 1.1732156760032155
Energy: 1.332254014860664
Energy: 1.2338168744643911
Energy: 1.3167540073020778
Energy: 1.2338168744643911

minimum gb energy = 1.0618282651630262 eV
minimum distance =  2.31652789063007 Angstroms
sigma value = 41


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

Energy: 2.0386999142565823
Energy: 1.2426230784065584
Energy: 1.2731785202222479
Energy: 1.2006306080158669
Energy: 1.3521786376166445
Energy: 1.2130311154566042
Energy: 1.1685939964018368
Energy: 1.2130311154553743
Energy: 1.1780725287705784
Energy: 1.1502607534486402
Energy: 1.2337513563105218
Energy: 1.1502607534486402
Energy: 1.1218496233696917
Energy: 1.164600890902725
Energy: 1.1686496695229969
Energy: 1.164600890902725
Energy: 1.1407315743821869
Energy: 1.1747373892659327
Energy: 1.274018253641175
Energy: 1.174737389269622
Energy: 1.1087815593498132
Energy: 1.0911093076107876
Energy: 1.1932914733561246
Energy: 1.0911093076107876
Energy: 1.1184809490430887
Energy: 1.0535831671310836
Energy: 1.095707800979323
Energy: 1.0535831671310836
Energy: 1.1829729489170557
Energy: 1.1075743231613344
Energy: 1.080934078139375
Energy: 1.107574323163794
Energy: 1.0335214196232845
Energy: 1.0495073568235602
Energy: 1.0652586597944342
Energy: 1.0495073568235602
Energy: 1.0564242990333723
Energy: 1.053717851847408
Energy: 1.100513132119199
Energy: 1.0537178518486376
Energy: 1.0199098955729382
Energy: 1.0657203606073256
Energy: 1.1798619938432298
Energy: 1.0657203606073256
Energy: 1.0392508261339386
Energy: 1.0143689969963934
Energy: 1.033953150850185
Energy: 1.0143689969963934
Energy: 1.122616868473797
Energy: 1.0437091072104916
Energy: 1.0573214355091545
Energy: 1.0437091072104916
Energy: 1.0915843270108678
Energy: 1.088625204178773
Energy: 0.994898070542336
Energy: 1.0886252041763413
Energy: 1.0912621343821103
Energy: 1.0286602676929446
Energy: 1.052103150008195
Energy: 1.0286602676929446
Energy: 1.0171480949120992
Energy: 1.1571278679633097
Energy: 1.0894727670136028
Energy: 1.1571278679620798
Energy: 0.9929661166494596
Energy: 1.1344706709864338
Energy: 1.138870409061668
Energy: 1.134470670985204
Energy: 1.1023340300697242
Energy: 1.0399870904175001
Energy: 1.0871914884688287
Energy: 1.0399870904175001
Energy: 1.1243459459101899
Energy: 1.0466070002133459
Energy: 1.0446283918548391
Energy: 1.0466070002108863
Energy: 1.1317209328357605
Energy: 1.1135704384565654
Energy: 1.0128660348958098
Energy: 1.1135704384565654
Energy: 1.0897072931815068
Energy: 1.0516779424758704
Energy: 1.1223104440966416
Energy: 1.051677942474641
Energy: 1.093224171650591
Energy: 1.0722471449789919
Energy: 1.1816918018703368
Energy: 1.0722471448462336
Energy: 1.0368500389108104
Energy: 1.1059825076686989
Energy: 1.1396843839085087
Energy: 1.1059825076686989
Energy: 1.0837693565199897
Energy: 1.1093233975700318
Energy: 1.138992328524342
Energy: 1.1093233975700318
Energy: 1.1826209533580572
Energy: 1.1103121159103284
Energy: 1.2133963347319603
Energy: 1.1103121159090985
Energy: 1.234165254836505
Energy: 1.1777831983361329
Energy: 1.1383855554034699
Energy: 1.1777831983361329
Energy: 1.2033165166410438
Energy: 1.172193386291877
Energy: 1.2225817809498778
Energy: 1.172193386291877
Energy: 1.1836476434295358
Energy: 1.1330747373717138
Energy: 1.2226570588869417
Energy: 1.1330747373717138
Energy: 1.168584910826601
Energy: 1.1881587520794197
Energy: 1.2516144957364403
Energy: 1.18815875207819
Energy: 1.179435959620821
Energy: 1.1962884999621965
Energy: 1.2100869555202278
Energy: 1.1962884999621965
Energy: 1.3530303213429908
Energy: 1.0838176318407642
Energy: 1.222665860851549
Energy: 1.0838176318370747
Energy: 1.2882904121358583
Energy: 1.1767971864739686
Energy: 1.2213086332998062
Energy: 1.176797186472739

minimum gb energy = 0.9929661166494596 eV
minimum distance =  2.30749229091591 Angstroms
sigma value = 15


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

Energy: 1.8604111054281796
Energy: 1.145711087860785
Energy: 1.1665984420072038
Energy: 1.1732249118318285
Energy: 1.2683807772448172
Energy: 1.1736059176112432
Energy: 1.164726407546874
Energy: 1.1736059176091593
Energy: 1.1266899463469948
Energy: 1.0607736498658937
Energy: 1.1617889523622373
Energy: 1.0607736498669356
Energy: 1.0681800673403774
Energy: 1.0802309669501002
Energy: 1.141060145812697
Energy: 1.080230966951142
Energy: 1.1146694705696891
Energy: 1.0770677233569934
Energy: 1.1773876171030633
Energy: 1.077067723359077
Energy: 1.0754341949308825
Energy: 1.0107180063720203
Energy: 1.103937215352458
Energy: 1.0107180063699368
Energy: 1.062911049537087
Energy: 1.023763875079563
Energy: 1.0190480534705915
Energy: 1.023763875079563
Energy: 1.0880680266873193
Energy: 1.054115089192363
Energy: 1.0768431233482576
Energy: 1.054115089192363
Energy: 1.045783173297996
Energy: 0.9652744110710336
Energy: 1.0197658833874073
Energy: 0.9652744110699918
Energy: 0.9829910835287794
Energy: 0.9733819020251022
Energy: 1.0956270861810284
Energy: 0.9733819020251022
Energy: 0.9844838824395284
Energy: 0.9876016798059655
Energy: 1.0843685728988655
Energy: 0.9876016798059655
Energy: 1.0664480497497597
Energy: 0.9594083227816106
Energy: 1.020931328924352
Energy: 0.9594083227826525
Energy: 1.0336687116984613
Energy: 0.9615292859781337
Energy: 0.9824438243808405
Energy: 0.9615292859781337
Energy: 1.0794627661470155
Energy: 0.98161242136536
Energy: 0.956334268217736
Energy: 0.98161242136536
Energy: 1.0030777003287947
Energy: 0.9855709866431689
Energy: 1.0529040682824138
Energy: 0.9855709866431689
Energy: 0.9849034754362853
Energy: 1.0162231544044875
Energy: 1.035764445895157
Energy: 1.0162231544055291
Energy: 0.9394802202490327
Energy: 0.9629959585303071
Energy: 1.0136694036962126
Energy: 0.9629959585313488
Energy: 1.1519272872205941
Energy: 0.9494653528078614
Energy: 1.0222321647163333
Energy: 0.9494653528089031
Energy: 1.0137951961896574
Energy: 0.9814800801981037
Energy: 0.9208920610546597
Energy: 0.9814800801960202
Energy: 1.0382847038283696
Energy: 1.0183678586170926
Energy: 0.9289709250378382
Energy: 1.0183678586212594
Energy: 1.0239378327408786
Energy: 0.9817789897532919
Energy: 1.004427451599817
Energy: 0.9817789897532919
Energy: 0.9746478674223051
Energy: 0.9976581895863477
Energy: 1.0411870500314486
Energy: 0.9976581895925983
Energy: 0.9555093548801415
Energy: 1.0169583007793408
Energy: 1.0974383644209236
Energy: 1.0169583007793408
Energy: 1.0703238705215328
Energy: 0.9847958111819652
Energy: 1.0136304161890324
Energy: 0.9847958111819652
Energy: 1.08317491173662
Energy: 0.9546795926670211
Energy: 1.003312970323255
Energy: 0.954679592668063
Energy: 1.0545096688065665
Energy: 0.9738323929068966
Energy: 0.9607743271710295
Energy: 0.9738323929068966
Energy: 1.0868246883356545
Energy: 0.9566869303616242
Energy: 1.0407754044461481
Energy: 0.9566869303626659
Energy: 1.0853942054727674
Energy: 0.9968742260859871
Energy: 1.0883694773182802
Energy: 0.9968742260859871
Energy: 1.016978922875734
Energy: 1.0104709167477972
Energy: 1.0921322601985977
Energy: 1.0104709167467556
Energy: 1.0519495724304357
Energy: 1.0136504308024805
Energy: 1.052668320329367
Energy: 1.0136504308024805
Energy: 1.090704900546682
Energy: 1.1031903205468978
Energy: 1.1414523405009769
Energy: 1.1031903205489815
Energy: 1.1236533561015773
Energy: 1.112112557555221
Energy: 1.0698168586920878
Energy: 1.112112557555221
Energy: 1.081670419549572
Energy: 1.0824524330949035
Energy: 1.1393026428924855
Energy: 1.0824524330938616
Energy: 1.0455775200251196
Energy: 1.1266188113088245
Energy: 1.320639257212294
Energy: 1.1266188113077829
Energy: 1.1803493504634293
Energy: 1.1722460597667714
Energy: 1.2330899318620454
Energy: 1.1722460597667714
Energy: 1.1219586207665129
Energy: 1.1030621319291012
Energy: 1.1627943236875913
Energy: 1.1030621319280594
Energy: 1.2028929640965864
Energy: 1.0662749324912146
Energy: 1.1182540863458086
Energy: 1.0662749324901728

minimum gb energy = 0.9208920610546597 eV
minimum distance =  2.3311557850892 Angstroms
sigma value = 85


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

Energy: 1.8595832559931214
Energy: 1.0306734383999228
Energy: 1.0994066144557002
Energy: 0.9789212895830953
Energy: 1.0704360905642432
Energy: 0.9823471967458047
Energy: 0.9356182832526119
Energy: 0.9823471967458047
Energy: 0.971555863725536
Energy: 0.9749756395684309
Energy: 1.0047068951971352
Energy: 0.9749756395675274
Energy: 0.9255499006074718
Energy: 0.9664479144823563
Energy: 1.0119345785750908
Energy: 0.9664479144823563
Energy: 0.9235180138578347
Energy: 0.9692986157718441
Energy: 1.0423793868491606
Energy: 0.9692986157763619
Energy: 0.9591676606071522
Energy: 0.9039940397093693
Energy: 0.9338691082317856
Energy: 0.9039940397093693
Energy: 0.9392846071164848
Energy: 0.9029922117850671
Energy: 0.8968244541287017
Energy: 0.9029922117850671
Energy: 0.9809586379477409
Energy: 0.9668930477336022
Energy: 0.9491159453533723
Energy: 0.9668930477345058
Energy: 0.8972163126546325
Energy: 0.8621609467021837
Energy: 0.9474909528507933
Energy: 0.8621609467021837
Energy: 0.8925993931839934
Energy: 0.873903361325151
Energy: 0.9320008866717838
Energy: 0.873903361325151
Energy: 0.9204977671209797
Energy: 0.8637297865825583
Energy: 0.9381076365554589
Energy: 0.8637297865825583
Energy: 0.9276632479033615
Energy: 0.8680907291151606
Energy: 0.9203506873449127
Energy: 0.8680907291151606
Energy: 0.9522690579698057
Energy: 0.8477838388084408
Energy: 0.8954676096772232
Energy: 0.8477838388057299
Energy: 0.9454145934292018
Energy: 0.83394408326423
Energy: 0.8992857036109095
Energy: 0.83394408326423
Energy: 0.9155123934736777
Energy: 0.8923834579906446
Energy: 0.9338549104878857
Energy: 0.8923834579906446
Energy: 0.9119398619651096
Energy: 0.9109918125547907
Energy: 0.9272988038735328
Energy: 0.9109918125556942
Energy: 0.8851183130638826
Energy: 0.8779368437925317
Energy: 0.925020792142975
Energy: 0.8779368437907247
Energy: 1.1482445879451606
Energy: 0.8756454416826558
Energy: 0.9505299645394624
Energy: 0.8756454416817523
Energy: 0.9453086568237147
Energy: 0.8406911078414199
Energy: 0.8569868300658221
Energy: 0.8406911078414199
Energy: 0.9697719608164312
Energy: 0.850426465591351
Energy: 0.886053421514696
Energy: 0.8504264655904475
Energy: 0.9601853733611091
Energy: 0.8774960176196208
Energy: 0.961268789393438
Energy: 0.8774960176205243
Energy: 0.8584937097624596
Energy: 0.8475925930114827
Energy: 0.9676748049424891
Energy: 0.8475925930087722
Energy: 0.9463743477750381
Energy: 0.871155013267135
Energy: 0.9845946452670327
Energy: 0.8711550132680387
Energy: 0.9384371724688713
Energy: 0.8867374590878243
Energy: 0.9230925715075134
Energy: 0.886737459088728
Energy: 0.9589604539076145
Energy: 0.9448086254199176
Energy: 0.8677888752891336
Energy: 0.9448086254217248
Energy: 0.9272488316123898
Energy: 0.864684807289531
Energy: 0.9355457069821858
Energy: 0.864684807289531
Energy: 0.9214203216958272
Energy: 0.8868822412658259
Energy: 0.9620339556434769
Energy: 0.8868822412658259
Energy: 0.8787993362204737
Energy: 0.9078873225753503
Energy: 0.9453571356452103
Energy: 0.9078873225753503
Energy: 0.922744010202938
Energy: 0.86375089448072
Energy: 0.9450122892556665
Energy: 0.86375089448072
Energy: 0.8989878426077318
Energy: 0.8798001972808388
Energy: 0.9422480417778499
Energy: 0.8798001972826458
Energy: 0.9385449398843738
Energy: 0.9281474714645628
Energy: 0.9033785333996759
Energy: 0.9281474714636593
Energy: 0.9328941640083532
Energy: 0.8613594044792031
Energy: 0.9231150050388802
Energy: 0.8613594044792031
Energy: 0.9706011057058531
Energy: 0.8082777216520584
Energy: 0.9367268263423372
Energy: 0.808277721652962
Energy: 0.8651793960640747
Energy: 0.8747951214623724
Energy: 0.9370938214103035
Energy: 0.8747951214605653
Energy: 0.9196227693787448
Energy: 0.9138874067764737
Energy: 0.929736038198787
Energy: 0.9138874067755702
Energy: 0.9348515385714441
Energy: 0.8940603813708505
Energy: 0.9378543272387725
Energy: 0.8940603813735611
Energy: 0.9696502600358853
Energy: 1.006086252955912
Energy: 0.9902157457306983
Energy: 1.006086252954105
Energy: 0.9867617720712493
Energy: 0.961636259639605
Energy: 0.9900412327699555
Energy: 0.9616362596405086
Energy: 0.969635215190339
Energy: 0.9636246829591257
Energy: 0.9729154834125265
Energy: 0.9636246829618362
Energy: 0.9009827022760956
Energy: 0.9035960337236844
Energy: 1.0751018800644856
Energy: 0.9035960337236844
Energy: 1.1050927722174353
Energy: 0.9783189165974285
Energy: 1.02224133889143
Energy: 0.9783189165974285
Energy: 1.0083487627769334
Energy: 1.011400401240057
Energy: 1.0092378538848252
Energy: 1.011400401240057
Energy: 1.0031664265570928
Energy: 0.9093546158338056
Energy: 1.0099348948828974
Energy: 0.9093546158265774

minimum gb energy = 0.8082777216520584 eV
minimum distance =  2.2992701014408 Angstroms
sigma value = 113


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

Energy: 0.014278254032015688
Energy: 0.11589748567333588
Energy: 0.8727879963289962
Energy: 0.01438488356608025
Energy: 0.07604507201303454
Energy: 0.11598422227887434
Energy: 0.07653776415240372
Energy: 0.11598422227821834
Energy: 0.0769545933237156
Energy: 0.11601104003233778
Energy: 0.014907464538949894
Energy: 0.11601104003233778
Energy: 0.07429917705729362
Energy: 0.116620397306895
Energy: 0.01611847936512632
Energy: 0.116620397306895
Energy: 0.07565266710177776
Energy: 0.11588534914480696
Energy: 0.07479840156060909
Energy: 0.11588534914411237
Energy: 0.01505145989945942
Energy: 0.11590985651585729
Energy: 0.07450915103797648
Energy: 0.11590985651585729

minimum gb energy = 0.014278254032015688 eV
minimum distance =  2.47510272018886 Angstroms
sigma value = 1