Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
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=2.850997865200043
cohesive_energy=4.280336213767988
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.84022076883522e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.83746502502474e-19, 6.80889821564052e-19, 6.763764899860739e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10161734056122e-19, 5.82061158072396e-19, 5.45678931067524e-19, 4.98682283862402e-19, 4.37993435143116e-19, 3.5949639313691994e-19, 2.57634809277102e-19, 1.2482109546036478e-19, -4.94732918459592e-20, -2.8004765821012795e-19, -5.88120590102184e-19, -1.0046736975291118e-18, -1.5761124245180878e-18, -2.3739931838968196e-18, -3.51174687699924e-18, -5.174037178306919e-18, -7.670388591742319e-18, -1.1534630349987899e-17, -1.77099798592458e-17, -2.78684205894594e-17, -4.47811573556268e-17, -7.166311779153239e-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: 0.013271415999819267
Energy: 1.2932119347066477
Energy: 2.3307247389771044
Energy: 0.013497119525544313
Energy: 1.2932119347066477
Energy: 0.22675142123707814
Energy: 1.2924729302601836
Energy: 0.22675142123609773
Energy: 2.3307247391318406
Energy: 1.2924729302601836
Energy: 1.5685184204106775
Energy: 1.2924729302601836
Energy: 0.013497119525544313
Energy: 0.22675142123707814
Energy: 1.2924729302601836
Energy: 0.22675142123609773

minimum gb energy = 0.013271415999819267 eV
minimum distance =  2.42598565894354 Angstroms
sigma value = 1


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

Energy: 1.971584388601011
Energy: 1.35458619366994
Energy: 1.059213057144249
Energy: 1.6771978925151243
Energy: 2.1624077205246635
Energy: 1.0316467637666171
Energy: 0.9848432287307222
Energy: 1.031646763765394
Energy: 2.1571714539171913
Energy: 0.9857800778821768
Energy: 0.985763986243237
Energy: 0.9857800778833998
Energy: 2.1608913566131402
Energy: 0.984945304008122
Energy: 1.0119056669661581
Energy: 0.984945304008122
Energy: 1.7725883550136767
Energy: 0.985363630122372
Energy: 1.4214170074049604
Energy: 0.9853636301199261
Energy: 2.160587154170371
Energy: 0.986429759153829
Energy: 1.3150412494532067
Energy: 0.986429759153829
Energy: 1.096606551496008
Energy: 0.9860236232218791
Energy: 1.3441538375058808
Energy: 0.9860236232218791
Energy: 1.7666742015210175
Energy: 1.1328437133941711
Energy: 1.3447897661131694
Energy: 1.1328437133941711
Energy: 1.565363514339356
Energy: 1.2056873364985723
Energy: 1.716126584352528
Energy: 1.2056873364985723
Energy: 1.765387900285945
Energy: 1.2325618712464552
Energy: 1.7657051642997217
Energy: 1.2325618712476782
Energy: 1.7659115125127318
Energy: 1.21888607956965
Energy: 1.665833722892343
Energy: 1.21888607956965
Energy: 1.348559952445965
Energy: 1.236900214739182
Energy: 1.773589895096794
Energy: 1.2369002147404051
Energy: 1.374227293838387
Energy: 0.9852857851954531
Energy: 1.7653490067162887
Energy: 0.9852857851954531
Energy: 1.3145554879563617
Energy: 0.9857276166168973
Energy: 2.157639016063518
Energy: 0.9857276166156743
Energy: 1.3144988148704728
Energy: 0.9847954013758122
Energy: 1.8796253004415635
Energy: 0.9847954013709203
Energy: 1.0070255291326462
Energy: 0.9852857248113223
Energy: 2.1363983154540827
Energy: 0.9852857248088762
Energy: 0.9851596976549425
Energy: 0.985425560335471
Energy: 2.1573523558485235
Energy: 0.985425560335471
Energy: 1.0020075138661355
Energy: 0.9856177137253885
Energy: 2.161877560491572
Energy: 0.9856177137253885
Energy: 0.9849229407643383
Energy: 0.9864927501093582
Energy: 2.0090874806131516
Energy: 0.9864927501081352
Energy: 1.0909449375512932
Energy: 0.9854594629564556
Energy: 2.159511768188686
Energy: 0.9854594629576784
Energy: 1.1173423151007973
Energy: 0.9856342142944139
Energy: 2.1575920475256782
Energy: 0.9856342142931909
Energy: 1.1299209653375357
Energy: 1.0981235129542088
Energy: 2.012710524441829
Energy: 1.0981235129554319
Energy: 1.1103381392038716
Energy: 1.09833236028874
Energy: 1.7731421918618928
Energy: 1.09833236028874
Energy: 1.5433843177904194
Energy: 1.0982647425472711
Energy: 2.0091345373411293
Energy: 1.0982647425484944
Energy: 1.567059762661495
Energy: 1.0985950728116136
Energy: 2.0093536564157755
Energy: 1.0985950728116136
Energy: 1.5521404133535908
Energy: 1.243273489284239
Energy: 1.5529059797092064
Energy: 1.2432734892805701
Energy: 1.5443278927783266
Energy: 1.0987658362768002
Energy: 1.5662619005247755
Energy: 1.0987658362768002
Energy: 2.0108238470049833
Energy: 1.098169961125911
Energy: 1.5429807970955447
Energy: 1.0981699611246878
Energy: 1.8803182426401892
Energy: 1.0975925779567326
Energy: 1.54309168040969
Energy: 1.0975925779579558
Energy: 1.880150458569918
Energy: 0.9861285297798258
Energy: 1.1280927608854043
Energy: 0.9861285297810488
Energy: 2.009748470290244
Energy: 0.9857575031289427
Energy: 1.1371740898989238
Energy: 0.9857575031289427
Energy: 2.163276259291263
Energy: 0.9857653064798861
Energy: 1.130759375462749
Energy: 0.9857653064798861
Energy: 2.1371607972088196
Energy: 0.9856112977309103
Energy: 1.090382386113446
Energy: 0.9856112977296873

minimum gb energy = 0.9847954013709203 eV
minimum distance =  2.34260946032123 Angstroms
sigma value = 1


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

Energy: 2.727400403286585
Energy: 1.0393020089590495
Energy: 1.0813692858336268
Energy: 1.2255792568836026
Energy: 2.0692526076824183
Energy: 1.0390967550847081
Energy: 1.0382533314391789
Energy: 1.0390967550847081
Energy: 2.067538480481924
Energy: 1.038865116873317
Energy: 1.0377119418183935
Energy: 1.038865116870528
Energy: 2.0699004852080543
Energy: 1.0392725171872392
Energy: 1.089016730782393
Energy: 1.0392725171942112
Energy: 1.812664134281858
Energy: 1.0390953732244181
Energy: 1.290963952249892
Energy: 1.039095373210474
Energy: 2.069937916031301
Energy: 1.038948201279169
Energy: 1.2905571138825604
Energy: 1.0389482012777744
Energy: 2.115750440982866
Energy: 1.0386244828653404
Energy: 1.3170534890372723
Energy: 1.0386244828625515
Energy: 1.7979689620151964
Energy: 1.1253808986905827
Energy: 1.308448660816077
Energy: 1.125380898685005
Energy: 1.7977453910576007
Energy: 1.1253326871633702
Energy: 1.6074657373345036
Energy: 1.1253326871633702
Energy: 1.7989452895685754
Energy: 1.125984971041397
Energy: 1.7971348248418355
Energy: 1.125984971041397
Energy: 1.7993056669322622
Energy: 1.1256883675283664
Energy: 1.5662060732651866
Energy: 1.1256883675311553
Energy: 1.357986087130793
Energy: 1.1781679746894842
Energy: 1.566879916931551
Energy: 1.17816797468809
Energy: 1.3194740519938382
Energy: 1.0385780000291085
Energy: 2.1154930149571642
Energy: 1.0385780000263196
Energy: 1.2910846773890554
Energy: 1.0905482264918702
Energy: 2.0695926466923265
Energy: 1.0905482264932644
Energy: 1.2905656794807492
Energy: 1.0386777605409214
Energy: 2.0471643701557722
Energy: 1.0386777605409214
Energy: 1.0388764242368844
Energy: 1.0381814422163602
Energy: 2.0473491264409045
Energy: 1.0381814422149658
Energy: 1.0379050078099232
Energy: 1.0388086152477414
Energy: 2.0679434613036736
Energy: 1.038808615249136
Energy: 1.038179588018667
Energy: 1.0386943592488076
Energy: 2.0690802370250023
Energy: 1.0386943592474132
Energy: 1.038322279360638
Energy: 1.0388915444239681
Energy: 1.8094239997098949
Energy: 1.0388915444197848
Energy: 1.291564670303346
Energy: 1.0388845370388673
Energy: 2.069619930130832
Energy: 1.0388845370388673
Energy: 1.3168202283192778
Energy: 1.0383486024733666
Energy: 2.068069436066319
Energy: 1.0383486024719721
Energy: 1.3081033803935729
Energy: 1.125664899595079
Energy: 1.7971567842178198
Energy: 1.125664899595079
Energy: 1.2906182217783904
Energy: 1.1253093318998388
Energy: 1.798187087395418
Energy: 1.1253093318984446
Energy: 1.7973609703386864
Energy: 1.1261558198180894
Energy: 1.797671150279505
Energy: 1.1261558198166948
Energy: 1.5660916407057806
Energy: 1.125840742205286
Energy: 1.7980173556934187
Energy: 1.1258407422066803
Energy: 1.5657019724317929
Energy: 1.1262289778886034
Energy: 1.29442278315127
Energy: 1.1262289778899979
Energy: 1.7989155140038144
Energy: 1.038759779546075
Energy: 1.317516115728724
Energy: 1.038759779546075
Energy: 2.0693662486976527
Energy: 1.038614812477476
Energy: 1.3466559024280647
Energy: 1.0386148124788703
Energy: 2.0461526546522726
Energy: 1.038909051167586
Energy: 1.29088287885194
Energy: 1.0389090511647971

minimum gb energy = 1.0377119418183935 eV
minimum distance =  2.35282279063531 Angstroms
sigma value = 25


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

Energy: 2.1532742727999086
Energy: 1.502357482255082
Energy: 1.2132030472886886
Energy: 1.840483008363879
Energy: 2.0156069078615766
Energy: 1.201486670801877
Energy: 1.1490361732075072
Energy: 1.201486670801877
Energy: 2.0048942706084127
Energy: 1.1268874032650076
Energy: 1.1260202796222452
Energy: 1.1268874032633864
Energy: 2.0132785549948777
Energy: 1.1444285940496213
Energy: 1.173748262195002
Energy: 1.1444285940496213
Energy: 1.8456576944193137
Energy: 1.1270002695434622
Energy: 1.4649353496600162
Energy: 1.1270002695434622
Energy: 2.013351490873191
Energy: 1.1263896226940355
Energy: 1.5388663354130636
Energy: 1.1263896226940355
Energy: 2.032168933603058
Energy: 1.126590405561857
Energy: 1.5611670129465334
Energy: 1.126590405560236
Energy: 1.5762576554223817
Energy: 1.2252797911709072
Energy: 1.5605411759713739
Energy: 1.2252797911692863
Energy: 1.5614733242555041
Energy: 1.2581657133930877
Energy: 2.0997674299200773
Energy: 1.2581657133914668
Energy: 1.5397571095838003
Energy: 1.1270356963377584
Energy: 2.013058705743517
Energy: 1.1270356963345163
Energy: 1.5599466244748104
Energy: 1.1273015143576113
Energy: 1.9989973784920956
Energy: 1.1273015143559904
Energy: 1.1736980139068607
Energy: 1.1265889741918307
Energy: 1.9976830004326627
Energy: 1.1265889741918307
Energy: 1.125380732839659
Energy: 1.1268136178837544
Energy: 2.0131402433924444
Energy: 1.1268136178837544
Energy: 1.1996499973248478
Energy: 1.127556120438966
Energy: 2.015354129020465
Energy: 1.127556120438966
Energy: 1.140666113674163
Energy: 1.1270620622992211
Energy: 1.845392936361143
Energy: 1.127062062300842
Energy: 1.259643382929619
Energy: 1.1268562264431572
Energy: 2.0044612767075334
Energy: 1.1268562264431572
Energy: 1.2839622430885624
Energy: 1.127074734613834
Energy: 2.005651717959796
Energy: 1.1270747346154548
Energy: 1.283650074263835
Energy: 1.1269279324332717
Energy: 1.845724233697235
Energy: 1.126927932431651
Energy: 1.3047155253114844
Energy: 1.1272668596725268
Energy: 1.5602493039310215
Energy: 1.127266859670906
Energy: 1.844805001317113
Energy: 1.3082560780587766
Energy: 1.847031444956403
Energy: 1.3082560780587766
Energy: 1.6904870252368163
Energy: 1.2502004701383342
Energy: 1.8459134725219901
Energy: 1.2502004701399554
Energy: 1.6909811835301252
Energy: 1.1272574431311237
Energy: 1.3525981462234533
Energy: 1.1272574431343658
Energy: 1.8457194923884612
Energy: 1.1269619610244088
Energy: 1.2838178532656295
Energy: 1.1269619610244088
Energy: 2.0145029752586954
Energy: 1.1273946502281469
Energy: 1.3049388514312354
Energy: 1.127394650226526
Energy: 1.996996108176764
Energy: 1.1270589377709153
Energy: 1.2593368849982975
Energy: 1.1270589377741573

minimum gb energy = 1.125380732839659 eV
minimum distance =  2.34568509197543 Angstroms
sigma value = 9


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

Energy: 2.689815239268945
Energy: 1.3826158339645847
Energy: 1.2796844213659933
Energy: 1.431896750033745
Energy: 2.0094054902261056
Energy: 1.2811921597420537
Energy: 1.3125148184528808
Energy: 1.2811921597414824
Energy: 1.8941604417799578
Energy: 1.281717082984609
Energy: 1.281336339993831
Energy: 1.281717082984411
Energy: 2.008697698899038
Energy: 1.308333804342821
Energy: 1.280880669160782
Energy: 1.308333804343019
Energy: 1.7463095481960236
Energy: 1.2810065134698994
Energy: 1.3872021305310498
Energy: 1.281006513470097
Energy: 1.8938602627243206
Energy: 1.281553885057566
Energy: 1.3882375231696378
Energy: 1.2815538850554344
Energy: 1.889380096313493
Energy: 1.2990783149172125
Energy: 1.4113998020716167
Energy: 1.2990783149180036
Energy: 1.6784908170594832
Energy: 1.2818143036214458
Energy: 1.4399047970035848
Energy: 1.2818143036214458
Energy: 1.6790381022783787
Energy: 1.2821563001770324
Energy: 1.8689096686364195
Energy: 1.2821563001785707
Energy: 1.6833219316137995
Energy: 1.276064912117382
Energy: 1.8576885771767133
Energy: 1.276064912117382
Energy: 1.683260229508794
Energy: 1.187790796540818
Energy: 1.861698624234754
Energy: 1.1877907965400487
Energy: 1.350124909550549
Energy: 1.1894791730600438
Energy: 1.8585396407630803
Energy: 1.1894791730604393
Energy: 1.3503709827109764
Energy: 1.1883634988683833
Energy: 1.8584120066664591
Energy: 1.188363498868581
Energy: 1.3508020078685994
Energy: 1.257780338057594
Energy: 1.7399988024292383
Energy: 1.257780338057594
Energy: 1.3497280731006358
Energy: 1.189619601669174
Energy: 1.7461615762911629
Energy: 1.1896196016686027
Energy: 1.5453001050621953
Energy: 1.362103192576946
Energy: 1.7396898292903793
Energy: 1.362103192580242
Energy: 1.4100367654306065
Energy: 1.3883024204169319
Energy: 1.7406733487354242
Energy: 1.3883024204153716
Energy: 1.3975280174258875
Energy: 1.3896174789105533
Energy: 1.6624670460234232
Energy: 1.389617478910949
Energy: 1.5452999938990397
Energy: 1.393834806069125
Energy: 1.6485907463610454
Energy: 1.393834806069125
Energy: 2.0087267938620177
Energy: 1.3912130369857432
Energy: 1.6673348517170485
Energy: 1.3912130369843807
Energy: 1.875376734848823
Energy: 1.2810433505010617
Energy: 1.6107952772564051
Energy: 1.2810433505020287

minimum gb energy = 1.1877907965400487 eV
minimum distance =  2.32993052327131 Angstroms
sigma value = 25


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

Energy: 1.796981008870133
Energy: 1.363701110005567
Energy: 1.363654192953096
Energy: 1.349120914293408
Energy: 1.66298207342407
Energy: 1.3872757581729436
Energy: 1.3941209837304034
Energy: 1.3872757581734054
Energy: 1.674505265195421
Energy: 1.4022689428105553
Energy: 1.4006143223913115
Energy: 1.4022689428103379
Energy: 1.6924337411744745
Energy: 1.381075847470037
Energy: 1.388725315586396
Energy: 1.3810758474690588
Energy: 1.567308335384809
Energy: 1.3879886246367505
Energy: 1.6590867037055033
Energy: 1.387988624636995
Energy: 1.714046768599554
Energy: 1.3796312743432388
Energy: 1.7025386945397767
Energy: 1.3796312743437005
Energy: 1.6742339757294764
Energy: 1.3874517783030917
Energy: 1.7401639620774665
Energy: 1.3874517783066789
Energy: 1.3941629508614475
Energy: 1.3906393352002886
Energy: 1.7407260485326008
Energy: 1.3906393352017288
Energy: 1.3499870887817158
Energy: 1.3671606936255913
Energy: 1.71462855462293
Energy: 1.3671606936248577
Energy: 1.4199733009696553
Energy: 1.380881760023718
Energy: 1.6930753407873667
Energy: 1.3808817600254029
Energy: 1.348696680672708
Energy: 1.3670524936550086
Energy: 1.6909494237271636
Energy: 1.3670524936543018
Energy: 1.6393293412979484
Energy: 1.4075979024186027
Energy: 1.6932889895509537
Energy: 1.4075979024186027
Energy: 1.5973363956504238
Energy: 1.4047899564866284
Energy: 1.702300049292241
Energy: 1.404789956484482
Energy: 1.5674483872009828
Energy: 1.380157495166283
Energy: 1.6242632166561002
Energy: 1.3801574951653317
Energy: 1.602301186332976
Energy: 1.4072443621824087
Energy: 1.5714741327737864
Energy: 1.4072443621824087
Energy: 1.6732710979882768
Energy: 1.4053262371266193
Energy: 1.6242674660733785
Energy: 1.4053262371244728
Energy: 1.6040138884513806
Energy: 1.4367882515843085
Energy: 1.541161501565908
Energy: 1.4367882515850152

minimum gb energy = 1.348696680672708 eV
minimum distance =  2.34640578805406 Angstroms
sigma value = 17


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

Energy: 2.700836202269608
Energy: 1.449757067594119
Energy: 1.4230544546376118
Energy: 1.4388692476437346
Energy: 1.6531883977121542
Energy: 1.4227926046512538
Energy: 1.5115575562902352
Energy: 1.4227926046498993
Energy: 1.6539822779130764
Energy: 1.4161309982005925
Energy: 1.4778568164692143
Energy: 1.4161309982005925
Energy: 1.653752775789604
Energy: 1.4168710443947032
Energy: 1.4592813955659723
Energy: 1.4168710443933485
Energy: 1.6493718289785946
Energy: 1.4042038193590205
Energy: 1.6209873257105127
Energy: 1.404203819361729
Energy: 1.6607163259404318
Energy: 1.389558037989683
Energy: 1.6302999031551435
Energy: 1.389558037989683
Energy: 1.5807992419723338
Energy: 1.4003620006204218
Energy: 1.631685299270479
Energy: 1.4003620006204218
Energy: 1.4432458329488378
Energy: 1.4315469321629752
Energy: 1.6439242984993663
Energy: 1.4315469321629752
Energy: 1.4496604727660498
Energy: 1.399881847083722
Energy: 1.6296928005717104
Energy: 1.3998818470823675
Energy: 1.4081321174304016
Energy: 1.3823156940338712
Energy: 1.6400176681195635
Energy: 1.3823156940406431
Energy: 1.4490703566793304
Energy: 1.4010865129693673
Energy: 1.6492871148462123
Energy: 1.4010865129693673
Energy: 1.6290821583977837
Energy: 1.4146332729376565
Energy: 1.6343911258323387
Energy: 1.4146332729390112
Energy: 1.6122593450201657
Energy: 1.414548126877025
Energy: 1.6208533181916005
Energy: 1.414548126878379
Energy: 1.6347285040775197
Energy: 1.400391197855446
Energy: 1.4563820745710205
Energy: 1.4003911978568002
Energy: 1.6299183092673075
Energy: 1.4271613787151562
Energy: 1.4064577851713889
Energy: 1.4271613787165105
Energy: 1.6239029650715375
Energy: 1.4010564460819963
Energy: 1.448756354595732
Energy: 1.4010564460792876
Energy: 1.6421510091828762
Energy: 1.3984481791735015
Energy: 1.4126200157171303
Energy: 1.3984481791735015
Energy: 1.6419052856487135
Energy: 1.4033769002720629
Energy: 1.6056199314158441
Energy: 1.4033769002693541
Energy: 1.624015952601985
Energy: 1.3890046119706163
Energy: 1.6613757601722083
Energy: 1.3890046119679076
Energy: 1.5106546775652865
Energy: 1.4064634004508978
Energy: 1.6473007376995723
Energy: 1.4064634004508978
Energy: 1.442719394832913
Energy: 1.4164543006454442
Energy: 1.6632470633514091
Energy: 1.416454300646799
Energy: 1.4912109452974545
Energy: 1.4018116916349073
Energy: 1.6553041731007059
Energy: 1.4018116916389705
Energy: 1.5410110771637875
Energy: 1.4250402142469463
Energy: 1.642795985668581
Energy: 1.4250402142483003
Energy: 1.5135774643691828
Energy: 1.4177374498836235
Energy: 1.6546395284492807
Energy: 1.417737449884978
Energy: 1.6279339650317095
Energy: 1.3984394995171239
Energy: 1.645065876379795
Energy: 1.3984394995171239
Energy: 1.5791740958416234
Energy: 1.4158002223851764
Energy: 1.6624301652696456
Energy: 1.4158002223851764
Energy: 1.602196019619942
Energy: 1.3943723751573769
Energy: 1.5908102416832965
Energy: 1.3943723751560226
Energy: 1.662430546491346
Energy: 1.4152013712316553
Energy: 1.5924589206623803
Energy: 1.4152013712357183
Energy: 1.6481244997320141
Energy: 1.3984646917386085
Energy: 1.6282231018842463
Energy: 1.3984646917399628
Energy: 1.6640383251129265
Energy: 1.4177665255826677
Energy: 1.5089745571863664
Energy: 1.4177665255813132

minimum gb energy = 1.3823156940338712 eV
minimum distance =  2.32711264682074 Angstroms
sigma value = 53


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

Energy: 1.3961717678469743
Energy: 1.300643727142102
Energy: 1.4654259821220368
Energy: 1.2821770769846592
Energy: 1.5640383943567173
Energy: 1.2766984435099535
Energy: 1.4665735589511408
Energy: 1.2766984435118314
Energy: 1.5598546680343426
Energy: 1.2705872975236632
Energy: 1.501767360702385
Energy: 1.2705872975298993
Energy: 1.5636606388684093
Energy: 1.2987522194397585
Energy: 1.5226751881891194
Energy: 1.2987522194385186
Energy: 1.564202872139429
Energy: 1.2764808070232687
Energy: 1.519333317969617
Energy: 1.2764808070263869
Energy: 1.5637166000405396
Energy: 1.2942137753438165
Energy: 1.5637884479450606
Energy: 1.2942137753425766
Energy: 1.5235245978007652
Energy: 1.2748093174312685
Energy: 1.402118011230175
Energy: 1.2748093174331463
Energy: 1.5041241142353616
Energy: 1.2711689432718671
Energy: 1.488730027815864
Energy: 1.2711689432727884
Energy: 1.4605666209040724
Energy: 1.2740615440640397
Energy: 1.5595831469739365
Energy: 1.2740615440627996
Energy: 1.5198349364569856
Energy: 1.2952867110052715
Energy: 1.5639577494860017
Energy: 1.2952867110058737
Energy: 1.5054378305943674
Energy: 1.2765971331470802
Energy: 1.5627225451553792
Energy: 1.2765971331495607
Energy: 1.560569889943065
Energy: 1.298162915766701
Energy: 1.5634143955985804
Energy: 1.2981629157676577
Energy: 1.488651831693878
Energy: 1.2715195705645792
Energy: 1.5604683730596614
Energy: 1.2715195705642603

minimum gb energy = 1.2705872975236632 eV
minimum distance =  2.36639669637398 Angstroms
sigma value = 9


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

Energy: 1.8632269568298436
Energy: 1.7208814147953075
Energy: 1.7668148790344027
Energy: 1.531315878522763
Energy: 1.682800367027568
Energy: 1.5112301408089839
Energy: 1.6517739258715984
Energy: 1.5112301408089839
Energy: 1.6423781289831798
Energy: 1.4454324671869618
Energy: 1.6334599831113805
Energy: 1.4454324671869618
Energy: 1.6401052553794118
Energy: 1.4453751714625422
Energy: 1.6167912532157234
Energy: 1.4453751714602343
Energy: 1.6107020344835825
Energy: 1.452741838189948
Energy: 1.6491192061396918
Energy: 1.4527418381922557
Energy: 1.6523303933052644
Energy: 1.4854370186735701
Energy: 1.6843027338377607
Energy: 1.4854370186724164
Energy: 1.6490106499071022
Energy: 1.6666739189937265
Energy: 1.7900063306739966
Energy: 1.6666739189937265
Energy: 1.7669467150446272
Energy: 1.537645582440282
Energy: 1.7884366571299577
Energy: 1.537645582440282
Energy: 1.7598120708829283
Energy: 1.4746170220418853
Energy: 1.6855159244153313
Energy: 1.4746170220418853
Energy: 1.6278724598357286
Energy: 1.4569023427729033
Energy: 1.5784259293238487
Energy: 1.4569023427752115
Energy: 1.7538183929632907
Energy: 1.493803418242014
Energy: 1.5083570490425169
Energy: 1.493803418242014
Energy: 1.7791342851478333
Energy: 1.4862668385941253
Energy: 1.5835344578100763
Energy: 1.4862668385975877
Energy: 1.7890014196765935
Energy: 1.5138617221343709
Energy: 1.5781599990406874
Energy: 1.5138617221343709
Energy: 1.7909736531547042
Energy: 1.502193285757632
Energy: 1.732277025077891
Energy: 1.5021932857530156
Energy: 1.774654132363274
Energy: 1.515854898957903
Energy: 1.8058863110083638
Energy: 1.515854898957903
Energy: 1.7387047139170935
Energy: 1.4607637226831711
Energy: 1.7885743334439177
Energy: 1.4607637226831711
Energy: 1.5221837872821118
Energy: 1.5079119901601583
Energy: 1.8018405620977713
Energy: 1.5079119901590043
Energy: 1.5254712067504455
Energy: 1.4543269529151466
Energy: 1.8060479610240479
Energy: 1.4543269529163008
Energy: 1.5392706724163068
Energy: 1.5147290563633462
Energy: 1.7872595416997763
Energy: 1.5147290563645004
Energy: 1.7081336389756128
Energy: 1.4618390772501164
Energy: 1.7862825118386456
Energy: 1.4618390772501164
Energy: 1.7889007866521163
Energy: 1.5169020215813656
Energy: 1.7872235225942117
Energy: 1.5169020215790574
Energy: 1.7815802136486911
Energy: 1.5173064763181527
Energy: 1.7262745012838958
Energy: 1.5173064763169988
Energy: 1.7814044173535808
Energy: 1.49225206816174
Energy: 1.5480481303683407
Energy: 1.492252068164048
Energy: 1.7866822227930428
Energy: 1.4634537851781175
Energy: 1.5513991839830252
Energy: 1.4634537851896579
Energy: 1.8051187163182336
Energy: 1.462395365419458
Energy: 1.5127663724982776
Energy: 1.4623953654171502
Energy: 1.7192926760832727
Energy: 1.460239977652174
Energy: 1.5298916574817818
Energy: 1.4602399776498656
Energy: 1.8059692623412784
Energy: 1.508342865310513
Energy: 1.7431193896057369
Energy: 1.508342865309359
Energy: 1.809617693715617
Energy: 1.5158782852207013
Energy: 1.7843189211074342
Energy: 1.5158782852207013
Energy: 1.5512714591998988
Energy: 1.4864158972799872
Energy: 1.7801183174757618
Energy: 1.4864158972799872
Energy: 1.5793624213189914
Energy: 1.5126179919441143
Energy: 1.7746326306183793
Energy: 1.512617991941806
Energy: 1.5536327890784993
Energy: 1.4549489418991512
Energy: 1.7611409371778743
Energy: 1.4549489418887647
Energy: 1.5536718940853793
Energy: 1.4728452316865235
Energy: 1.7506181544156247
Energy: 1.4728452316865235
Energy: 1.680917221678926
Energy: 1.4548973769371567
Energy: 1.7286164340933727
Energy: 1.454897376938311
Energy: 1.6850253859873794
Energy: 1.4864083222495645
Energy: 1.7613820415847725
Energy: 1.4864083222484101
Energy: 1.780841343789366
Energy: 1.605433070262577
Energy: 1.7155581930218335
Energy: 1.605433070262577

minimum gb energy = 1.4453751714602343 eV
minimum distance =  2.30934186917703 Angstroms
sigma value = 73


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

Energy: 2.0241369972046854
Energy: 1.5417594670731125
Energy: 1.8754701708155497
Energy: 1.5963644165528172
Energy: 1.7141063915331283
Energy: 1.543441738550832
Energy: 1.6609996238058917
Energy: 1.5434417385480856
Energy: 1.6697462214233132
Energy: 1.4652263034687478
Energy: 1.6541626358832648
Energy: 1.4652263034685604
Energy: 1.6424801653293593
Energy: 1.4685256688639996
Energy: 1.6271330093482204
Energy: 1.4685256688634587
Energy: 1.6257562584332832
Energy: 1.4746145002361102
Energy: 1.6606080846368343
Energy: 1.4746145002375877
Energy: 1.6608729082452671
Energy: 1.5187991691681848
Energy: 1.714549640841313
Energy: 1.5187991691683722
Energy: 1.6554833650136624
Energy: 1.568027447106321
Energy: 1.8768761208003646
Energy: 1.5680274471061337
Energy: 1.8438636325363675
Energy: 1.53955114710451
Energy: 1.8741177833858735
Energy: 1.539551147099017
Energy: 1.835914068901746
Energy: 1.511993803892883
Energy: 1.7137901317933026
Energy: 1.511993803892883
Energy: 1.6721600566790424
Energy: 1.4909340376998235
Energy: 1.5516410103148635
Energy: 1.4909340377045883
Energy: 1.835288211296291
Energy: 1.5118033294267423
Energy: 1.5034865152696872
Energy: 1.5118033294278452
Energy: 1.8802070895698948
Energy: 1.5348269091723288
Energy: 1.566010323365899
Energy: 1.5348269091716005
Energy: 1.8138102376158427
Energy: 1.5434444720493807
Energy: 1.5671414783325173
Energy: 1.543444472047737
Energy: 1.81364319895726
Energy: 1.5593370279505145
Energy: 1.8478453119244307
Energy: 1.559337027950327
Energy: 1.8963524835380712
Energy: 1.5699639103085843
Energy: 1.8785939298919636
Energy: 1.5699639103102279
Energy: 1.847869235616905
Energy: 1.560370882246435
Energy: 1.917034097543078
Energy: 1.5603708822462479
Energy: 1.5515765280598142
Energy: 1.5436178870901387
Energy: 1.9200981044057102
Energy: 1.543617887090326
Energy: 1.5532102199716353
Energy: 1.5345412733674968
Energy: 1.8699522258870973
Energy: 1.5345412733674968
Energy: 1.5341941858890813
Energy: 1.5126022213364634
Energy: 1.8316940115466924
Energy: 1.5126022213364634
Energy: 1.7206357041913198
Energy: 1.5312735633425738
Energy: 1.819524622457774
Energy: 1.5312735633444046
Energy: 1.7143773022508244
Energy: 1.5123892362007656
Energy: 1.8284020836971533
Energy: 1.5123892362005993
Energy: 1.9130548509791556
Energy: 1.5349547294117971
Energy: 1.8276998141679734
Energy: 1.5349547294101533

minimum gb energy = 1.4652263034685604 eV
minimum distance =  2.30099715537302 Angstroms
sigma value = 7


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

Energy: 2.996016705769263
Energy: 1.8488900796750067
Energy: 1.8058947604993507
Energy: 1.6170976859253539
Energy: 1.7591275121535772
Energy: 1.584475883499967
Energy: 1.6841209460292537
Energy: 1.5844758834973778
Energy: 1.6543836883799503
Energy: 1.4968874241699621
Energy: 1.6606764877085647
Energy: 1.4968874241686674
Energy: 1.6501023166154836
Energy: 1.4967378505482216
Energy: 1.6617560192583207
Energy: 1.4967378505469267
Energy: 1.6343293656300422
Energy: 1.4994142297324866
Energy: 1.668218718456052
Energy: 1.4994142297298974
Energy: 1.6639480637659054
Energy: 1.537725339843694
Energy: 1.7334578197391215
Energy: 1.537725339843694
Energy: 1.6633620764412624
Energy: 1.5529785046516775
Energy: 1.9142959338266696
Energy: 1.5529785046542668
Energy: 1.7844861196688528
Energy: 1.5366689493479393
Energy: 1.9142444281320865
Energy: 1.5366689493492336
Energy: 1.7641104101292615
Energy: 1.5595742213384665
Energy: 1.7394177135707523
Energy: 1.5595742213397614
Energy: 1.817204549429779
Energy: 1.5278055868435678
Energy: 1.5891148032188853
Energy: 1.5278055868448628
Energy: 1.7631568012871799
Energy: 1.532720771715126
Energy: 1.5383026026704691
Energy: 1.532720771715126
Energy: 1.8818625712734671
Energy: 1.5833928012310434
Energy: 1.583772134276641
Energy: 1.5833928012297485
Energy: 1.882353161337571
Energy: 1.5910132313654568
Energy: 1.598292756411092
Energy: 1.5910132313654568
Energy: 1.8836308020887726
Energy: 1.5768407701605005
Energy: 1.8570509821941703
Energy: 1.576840770161795
Energy: 1.8422925436836317
Energy: 1.6435380292530613
Energy: 1.907316896832414
Energy: 1.6435380292517667
Energy: 1.81728052769114
Energy: 1.6213073803686922
Energy: 1.9074406001709192
Energy: 1.6213073803686922
Energy: 1.6687625571094706
Energy: 1.565348643588894
Energy: 1.9078180908675946
Energy: 1.565348643588894
Energy: 1.6936358194756522
Energy: 1.6466332741355287
Energy: 1.7773661764576423
Energy: 1.6466332741355287
Energy: 1.6534975057168764
Energy: 1.5095325383617015
Energy: 1.6780160781509839
Energy: 1.5095325383617015
Energy: 1.6942340325134673
Energy: 1.5139241686053178
Energy: 1.670351395965288
Energy: 1.513924168604023
Energy: 1.6802862373986054
Energy: 1.5210532201197104
Energy: 1.6884529898052576
Energy: 1.5210532201197104
Energy: 1.9147358017852867
Energy: 1.5553774911593075
Energy: 1.692403575177595
Energy: 1.5553774911593075
Energy: 1.9142777035531555
Energy: 1.5554588005966068
Energy: 1.7746811050275169
Energy: 1.5554588005966068
Energy: 1.686359107677215
Energy: 1.5283660864091333
Energy: 1.8244146077441799
Energy: 1.5283660864078383
Energy: 1.6648894743223306
Energy: 1.5388849909238553
Energy: 1.8158404894333866
Energy: 1.5388849909225604
Energy: 1.5209598058578762
Energy: 1.5251795130772459
Energy: 1.8315246044412712
Energy: 1.5251795130772459
Energy: 1.5543535306871747
Energy: 1.5219990661792158
Energy: 1.8091110285328944
Energy: 1.5219990661792158
Energy: 1.5616658894174344
Energy: 1.5519782295313536
Energy: 1.8639298563374898
Energy: 1.5519782295300586
Energy: 1.7591870371972156
Energy: 1.5671949962942309
Energy: 1.8619787381799788
Energy: 1.5671949962942309
Energy: 1.772190883632545
Energy: 1.5885160165261858
Energy: 1.868577421109694
Energy: 1.5885160165261858
Energy: 1.7984608639285429
Energy: 1.5717138931277537
Energy: 1.8941027384854323
Energy: 1.5717138931277537

minimum gb energy = 1.4967378505469267 eV
minimum distance =  2.29437430332183 Angstroms
sigma value = 29


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

Energy: 1.8865377257654907
Energy: 1.5057877775336814
Energy: 1.5427410878979932
Energy: 1.330956830804512
Energy: 1.6639814659879544
Energy: 1.3912837835051113
Energy: 1.5435862645614566
Energy: 1.3912837835055623
Energy: 1.7493116230395875
Energy: 1.4109181521299932
Energy: 1.5300566412495678
Energy: 1.4109181521295675
Energy: 1.5292637204127064
Energy: 1.4079728466338373
Energy: 1.308760206455042
Energy: 1.4079728466329602
Energy: 1.5222683476216032
Energy: 1.4081620600921119
Energy: 1.6012846592747547
Energy: 1.408162060091235
Energy: 1.539342040551712
Energy: 1.3952267124937139
Energy: 1.6615479955774954
Energy: 1.395226712493288
Energy: 1.5387320956026573
Energy: 1.4697127625438673
Energy: 1.5036692924435362
Energy: 1.4697127625429904
Energy: 1.6571065500051223
Energy: 1.388648880653922
Energy: 1.6171348385152866
Energy: 1.388648880654373
Energy: 1.6965357429970525
Energy: 1.3946899057091813
Energy: 1.6581517512806363
Energy: 1.3946899057083044

minimum gb energy = 1.308760206455042 eV
minimum distance =  2.31670052293529 Angstroms
sigma value = 5


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

Energy: 1.9797512195679943
Energy: 1.810378491400802
Energy: 1.8130116381285741
Energy: 1.701421908046946
Energy: 1.4527262798662302
Energy: 1.3743068781651506
Energy: 1.7792843643951028
Energy: 1.3743068781651506
Energy: 1.3532906091807442
Energy: 1.3510820365702614
Energy: 1.7519296429359252
Energy: 1.3510820365678156
Energy: 1.3531018779702546
Energy: 1.3702473217688256
Energy: 1.682287227725398
Energy: 1.3702473217688256
Energy: 1.3555324529584627
Energy: 1.369356024260703
Energy: 1.6896798819966625
Energy: 1.369356024260703
Energy: 1.4155958677450682
Energy: 1.4042194014610556
Energy: 1.6598168185841118
Energy: 1.4042194014622784
Energy: 1.4160176325981173
Energy: 1.3993338339442427
Energy: 1.6193263218525837
Energy: 1.3993338339454657
Energy: 1.4185094850567157
Energy: 1.388823962573477
Energy: 1.6163248734845648
Energy: 1.388823962573477
Energy: 1.6064874301800633
Energy: 1.404144198854542
Energy: 1.5912056241493235
Energy: 1.4041441988557648
Energy: 1.748674391154862
Energy: 1.5875005023369684
Energy: 1.674661724810388
Energy: 1.5875005023345228
Energy: 1.7160337980551899
Energy: 1.4923178953541354
Energy: 1.6798476372236997
Energy: 1.4923178953541354
Energy: 1.679515208934434
Energy: 1.5529717697092638
Energy: 1.8210637158254956
Energy: 1.5529717697092638
Energy: 1.584224798658284
Energy: 1.583936787398464
Energy: 1.8183503780717978
Energy: 1.583936787397241
Energy: 1.5919695852627866
Energy: 1.4747715002681874
Energy: 1.4186304683605029
Energy: 1.4747715002681874
Energy: 1.6192268666910532
Energy: 1.402064687910779
Energy: 1.418746031917079
Energy: 1.402064687910779
Energy: 1.619135350711656
Energy: 1.3896915179040426
Energy: 1.415592262898628
Energy: 1.3896915179028198
Energy: 1.5451925036234015
Energy: 1.3807286052794376
Energy: 1.417892966822996
Energy: 1.3807286052818835
Energy: 1.750910354347934
Energy: 1.3515974017178316
Energy: 1.3510191872427941
Energy: 1.3515974017300614
Energy: 1.7554537576642961
Energy: 1.3596220911848669
Energy: 1.352843659871426
Energy: 1.3596220911848669
Energy: 1.7592137359527489
Energy: 1.3540784641129084
Energy: 1.3564870730481937
Energy: 1.354078464109295
Energy: 1.807760733324237
Energy: 1.4870160985243364
Energy: 1.8354148948996811
Energy: 1.4870160985255594
Energy: 1.8521921305328044
Energy: 1.492445531632722
Energy: 1.8348143329626858
Energy: 1.492445531632722
Energy: 1.8371126143142857
Energy: 1.3717827036147154
Energy: 1.4519824351164599
Energy: 1.3717827036159385
Energy: 1.8209895802749432
Energy: 1.4198603739812798
Energy: 1.4509352553714803
Energy: 1.4198603739800568
Energy: 1.8215442719800137
Energy: 1.4003628329358029
Energy: 1.398944597127866
Energy: 1.4003628329370261
Energy: 1.5056108930247043
Energy: 1.481455661617185
Energy: 1.451680693070441
Energy: 1.481455661618408
Energy: 1.5031405344039859
Energy: 1.3916765402238545
Energy: 1.5039175681504215
Energy: 1.3916765402226317
Energy: 1.5030477137558527
Energy: 1.3992700720791593
Energy: 1.505497724016418
Energy: 1.3992700720791593
Energy: 1.4014804900550386
Energy: 1.5190999466310158
Energy: 1.4450811261783443
Energy: 1.5190999466359079
Energy: 1.3984322392910657
Energy: 1.3999454383988235
Energy: 1.7528653035688866
Energy: 1.3999454384000467
Energy: 1.4512810094812996
Energy: 1.4013916492262182
Energy: 1.7500163614325368
Energy: 1.4013916492262182
Energy: 1.4524940776676172
Energy: 1.4261534501314377
Energy: 1.8530317705079784
Energy: 1.4261534501314377
Energy: 1.839560861763377
Energy: 1.7559548763916757
Energy: 1.8332992872636478
Energy: 1.7559548763916757

minimum gb energy = 1.3510191872427941 eV
minimum distance =  2.28676926648352 Angstroms
sigma value = 1


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

Energy: 2.473573571975016
Energy: 1.6340600734312805
Energy: 1.6141007190278631
Energy: 1.4261319539106152
Energy: 1.6357798541135398
Energy: 1.3920847307341861
Energy: 1.5597425127237583
Energy: 1.3920847307341861
Energy: 1.412600025894227
Energy: 1.37497007412963
Energy: 1.6687701572478328
Energy: 1.374970074131321
Energy: 1.4104633670071764
Energy: 1.3979243885851884
Energy: 1.534310811802987
Energy: 1.3979243885851884
Energy: 1.4123761012523826
Energy: 1.3771083314958144
Energy: 1.6798078974916086
Energy: 1.3771083314958144
Energy: 1.4139887055367109
Energy: 1.3683151479225053
Energy: 1.546689714818391
Energy: 1.3683151479208142
Energy: 1.4130673396637423
Energy: 1.3670952881333176
Energy: 1.6806901399478789
Energy: 1.3670952881333176
Energy: 1.4153577004721463
Energy: 1.364537776627469
Energy: 1.6774069199529087
Energy: 1.364537776627469
Energy: 1.2892098712805833
Energy: 1.3395765754931628
Energy: 1.710170139982352
Energy: 1.3395765754914717
Energy: 1.710345935957583
Energy: 1.759799697734787
Energy: 1.7600326034993916
Energy: 1.759799697733096
Energy: 1.2904070753556334
Energy: 1.3557173666452405
Energy: 1.738886595210976
Energy: 1.3557173666469315
Energy: 1.2903862040232175
Energy: 1.25232234733856
Energy: 1.7880843040025305
Energy: 1.252322347333487
Energy: 1.2874112551291168
Energy: 1.2706384048100983
Energy: 1.7876416484846294
Energy: 1.2706384048117891
Energy: 1.2902791725108476
Energy: 1.2826892551233444
Energy: 1.6314968084556274
Energy: 1.2826892551250353
Energy: 1.5351396416042624
Energy: 1.5090118921695845
Energy: 1.5496166646033491
Energy: 1.5090118921695845
Energy: 1.5331599796459034
Energy: 1.4903113884438213
Energy: 1.528417851873795
Energy: 1.4903113884404393
Energy: 1.5936131865134742
Energy: 1.4409185866627798
Energy: 1.5048010123053381
Energy: 1.4409185866627798
Energy: 1.6785313693669326
Energy: 1.3725932020263132
Energy: 1.4098301801399353
Energy: 1.3725932020263132
Energy: 1.6824843029775696
Energy: 1.369321915999619
Energy: 1.4124177074625426
Energy: 1.369321915999619
Energy: 1.5953511501965592
Energy: 1.505056128392649
Energy: 1.4222093743077693
Energy: 1.505056128392649
Energy: 1.6188196325477546
Energy: 1.3969546759835096
Energy: 1.7104075528762104
Energy: 1.3969546759835096
Energy: 1.6399293644543136
Energy: 1.3985476925754354
Energy: 1.7102783892552813
Energy: 1.3985476925754354
Energy: 1.6356368123440603
Energy: 1.3960637271561938
Energy: 1.5872391867390212
Energy: 1.3960637271528118
Energy: 1.7454217050142138
Energy: 1.523085867622103
Energy: 1.5426011433231512
Energy: 1.523085867622103

minimum gb energy = 1.252322347333487 eV
minimum distance =  2.2842219087427 Angstroms
sigma value = 17


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

Energy: 1.865439572360818
Energy: 1.747914047991204
Energy: 1.7466828742523766
Energy: 1.644398999743403
Energy: 1.2919851096572756
Energy: 1.3117779458707253
Energy: 1.5478128615699531
Energy: 1.3117779458728156
Energy: 1.290804519245115
Energy: 1.2950924002023725
Energy: 1.7143802349193484
Energy: 1.2950924002034174
Energy: 1.2926422353098246
Energy: 1.304471057197973
Energy: 1.7111627714401145
Energy: 1.3044710571990181
Energy: 1.2959751395443833
Energy: 1.3051904352681691
Energy: 1.388923259718203
Energy: 1.3051904352681691
Energy: 1.4528517689828753
Energy: 1.3316744234563354
Energy: 1.458409228452011
Energy: 1.3316744234563354
Energy: 1.4527969530691127
Energy: 1.3316665681104332
Energy: 1.4561958624160505
Energy: 1.3316665681093878
Energy: 1.4542959589799955
Energy: 1.3477634799485407
Energy: 1.4532049386032997
Energy: 1.347763479950631
Energy: 1.7663520155975636
Energy: 1.3044807557151936
Energy: 1.2909121304513316
Energy: 1.3044807557162388
Energy: 1.657016723741224
Energy: 1.3047553766162319
Energy: 1.2909519083131245
Energy: 1.3047553766182745
Energy: 1.7548526229563572
Energy: 1.3008817699474802
Energy: 1.2915608564451284
Energy: 1.3008817699474802
Energy: 1.7421756727560873
Energy: 1.343462893054231
Energy: 1.608269101914789
Energy: 1.343462893055276
Energy: 1.772665315572446
Energy: 1.6016987859328047
Energy: 1.6078986717334456
Energy: 1.6016987859328047
Energy: 1.6747175458924033
Energy: 1.3063924481050788
Energy: 1.3956052585698204
Energy: 1.3063924481061238
Energy: 1.7198765192034626
Energy: 1.3781085373235058
Energy: 1.3948770562926747
Energy: 1.3781085373235058
Energy: 1.8292041506866252
Energy: 1.2949927981389862
Energy: 1.3627528527109432
Energy: 1.294992798137941
Energy: 1.383178529458053
Energy: 1.4083340886923463
Energy: 1.297845706302126
Energy: 1.4083340886933915
Energy: 1.3845776191918049
Energy: 1.325846540726888
Energy: 1.5576643994406176
Energy: 1.3258465407289786
Energy: 1.3842209082125447
Energy: 1.3313621699916987
Energy: 1.5476064419010778
Energy: 1.3313621699927438
Energy: 1.3373209651602738
Energy: 1.4435531667473451
Energy: 1.6046391685046935
Energy: 1.44355316674839
Energy: 1.3293425490066808
Energy: 1.3225681071205002
Energy: 1.659149552947241
Energy: 1.3225681071205002
Energy: 1.3291641163610957
Energy: 1.31238411449513
Energy: 1.6625491822131082
Energy: 1.31238411449513
Energy: 1.3298395741830547
Energy: 1.320467076119819
Energy: 1.4684650720835948
Energy: 1.3204670761187738
Energy: 1.7684827592218635
Energy: 1.542679335394841
Energy: 1.5448192624252202
Energy: 1.542679335394841
Energy: 1.60954323205808
Energy: 1.4397283221016708
Energy: 1.6082176345863564
Energy: 1.439728322102716
Energy: 1.5227126752950573
Energy: 1.3274360686519022
Energy: 1.330159040330457
Energy: 1.3274360686519022
Energy: 1.6015976847196107
Energy: 1.5466013397833283
Energy: 1.8270421785799216
Energy: 1.546601339782283
Energy: 1.4839598124356566
Energy: 1.431637626584007
Energy: 1.353630563907208
Energy: 1.431637626582962
Energy: 1.6638773913240494
Energy: 1.3228110322708106
Energy: 1.3293616832128303
Energy: 1.3228110322697655
Energy: 1.6013034721762163
Energy: 1.312794940090951
Energy: 1.3293932358507947
Energy: 1.3127949400919965
Energy: 1.5167737532766268
Energy: 1.3126178252035292
Energy: 1.330419030919502
Energy: 1.312617825202484
Energy: 1.572075932265473
Energy: 1.3277198696690262
Energy: 1.3828645320239108
Energy: 1.327719869667981
Energy: 1.554466467621316
Energy: 1.3275335052784505
Energy: 1.3812966648202702
Energy: 1.3275335052784505
Energy: 1.5477418036277504
Energy: 1.3393340412017194
Energy: 1.3831064514884512
Energy: 1.3393340412006742
Energy: 1.3665105838914064
Energy: 1.3073821586436567
Energy: 1.3832035032017869
Energy: 1.3073821586415661
Energy: 1.3969570870181955
Energy: 1.3813737495169365
Energy: 1.77071420904466
Energy: 1.3813737495169365
Energy: 1.395568184183249
Energy: 1.2968621855898401
Energy: 1.589042433057763
Energy: 1.296862185590885
Energy: 1.354685633020549
Energy: 1.5488089191760008
Energy: 1.7069442399093997
Energy: 1.548808919177046

minimum gb energy = 1.290804519245115 eV
minimum distance =  2.31982939256945 Angstroms
sigma value = 89


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

Energy: 2.337157178488333
Energy: 1.5012668963509979
Energy: 1.485886032271241
Energy: 1.2348927075001137
Energy: 1.252908068986771
Energy: 1.2326928727586441
Energy: 1.2560498476397335
Energy: 1.2326928727589237
Energy: 1.2541950778088546
Energy: 1.2496496006991036
Energy: 1.4883224182559027
Energy: 1.2496496006974565
Energy: 1.2507745581282144
Energy: 1.2330061196584825
Energy: 1.4887144788352036
Energy: 1.2330061196584825
Energy: 1.2543742881241067
Energy: 1.3481167548255995
Energy: 1.421762494081743
Energy: 1.3481167548255995
Energy: 1.3863048063783314
Energy: 1.2356440039251593
Energy: 1.3914510595043696
Energy: 1.2356440039232326
Energy: 1.3880486740269806
Energy: 1.2504276428653642
Energy: 1.3914568989957377
Energy: 1.2504276428662033
Energy: 1.4473149839571193
Energy: 1.2757931850018245
Energy: 1.3882976201023354
Energy: 1.2757931850015451
Energy: 1.4222422050291685
Energy: 1.237795160637403
Energy: 1.2500182775083304
Energy: 1.2377951606371234
Energy: 1.4278340398017255
Energy: 1.2395189470837273
Energy: 1.251931868983245
Energy: 1.2395189470845662
Energy: 1.2597396769757627
Energy: 1.23855434187862
Energy: 1.253889888453204
Energy: 1.2385543418788687
Energy: 1.4823768916770304
Energy: 1.3088898553288855
Energy: 1.6370589602554877
Energy: 1.308889855328326
Energy: 1.4976556697058734
Energy: 1.4908155480188359
Energy: 1.6369785531484669
Energy: 1.4908155480191154
Energy: 1.253998857469125
Energy: 1.3039094008131922
Energy: 1.2539079930135242
Energy: 1.303909400813472
Energy: 1.2783746918117584
Energy: 1.247976197015486
Energy: 1.254184407696061
Energy: 1.2479761970149574

minimum gb energy = 1.2326928727586441 eV
minimum distance =  2.31969124685565 Angstroms
sigma value = 13


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

Energy: 1.546781644133101
Energy: 1.421941201037
Energy: 1.4182368145840896
Energy: 1.1886162210116757
Energy: 1.1984055279506833
Energy: 1.1842530746192683
Energy: 1.1992220952201986
Energy: 1.1842530746204145
Energy: 1.1975587042337972
Energy: 1.1854913380418939
Energy: 1.5209445293772865
Energy: 1.1854913380418939
Energy: 1.1946413444181312
Energy: 1.1833834547473578
Energy: 1.5136836601626213
Energy: 1.1833834547485038
Energy: 1.2026350689378527
Energy: 1.2229382926156185
Energy: 1.345171983970859
Energy: 1.22293829261218
Energy: 1.425170285936645
Energy: 1.166374834149511
Energy: 1.2704501066409744
Energy: 1.166374834149511
Energy: 1.4291654609544282
Energy: 1.165357012945699
Energy: 1.272702390151378
Energy: 1.165357012944553
Energy: 1.401827295371414
Energy: 1.3131246579922125
Energy: 1.220714146173509
Energy: 1.3131246579910665
Energy: 1.42048090531817
Energy: 1.1647837412995556
Energy: 1.2663597188352418
Energy: 1.1647837412995556
Energy: 1.4239766149401394
Energy: 1.1646978660583833
Energy: 1.2648505361477729
Energy: 1.1646978660595295
Energy: 1.1973648756329887
Energy: 1.2664776682361034
Energy: 1.3441488218514852
Energy: 1.2664776682372496
Energy: 1.1945340204384591
Energy: 1.1833813077224553
Energy: 1.3776514234792892
Energy: 1.1833813077224553
Energy: 1.1973288540132292
Energy: 1.1832692773720108
Energy: 1.3775021132190006
Energy: 1.1832692773708646
Energy: 1.1985908826061502
Energy: 1.1847659022582553
Energy: 1.198906641988699
Energy: 1.1847659022582553
Energy: 1.3740777366225134
Energy: 1.197939781692897
Energy: 1.4140316177224974
Energy: 1.1979397816917505
Energy: 1.3751004067545223
Energy: 1.1848538198507381
Energy: 1.422376319594141
Energy: 1.184853819849592
Energy: 1.198152476085957
Energy: 1.355784736497901
Energy: 1.1970124233684838
Energy: 1.355784736497901
Energy: 1.2008323322313874
Energy: 1.1828293895897484
Energy: 1.5129907565362473
Energy: 1.1828293895886024
Energy: 1.2043753420934165
Energy: 1.18335980748814
Energy: 1.2068379850841533
Energy: 1.18335980748814
Energy: 1.3772513431033961
Energy: 1.184400155450064
Energy: 1.1978920071413464
Energy: 1.184400155450064
Energy: 1.514719278847791
Energy: 1.1895965366775232
Energy: 1.1965267859540933
Energy: 1.1895965366798156
Energy: 1.3450465620128818
Energy: 1.1882854973664523
Energy: 1.1986502781367054
Energy: 1.1882854973675987
Energy: 1.2672096466815554
Energy: 1.1652880333109572
Energy: 1.4212780078819636
Energy: 1.1652880333098108
Energy: 1.2680370789328859
Energy: 1.1638724757825099
Energy: 1.3301414970075367
Energy: 1.1638724757916794
Energy: 1.2662561219226818
Energy: 1.1909782082159537
Energy: 1.4021124388952908
Energy: 1.1909782082170999
Energy: 1.2649783078213739
Energy: 1.1666989342746208
Energy: 1.4045636009411162
Energy: 1.1666989342734746
Energy: 1.265401324792456
Energy: 1.1652196361683387
Energy: 1.4238698222660435
Energy: 1.1652196361683387
Energy: 1.3445076236285063
Energy: 1.1660360572348012
Energy: 1.3701480423380343
Energy: 1.1660360572359474
Energy: 1.3431046035570302
Energy: 1.1837239725310014
Energy: 1.1956038679615217
Energy: 1.1837239725310014
Energy: 1.4207446610054306
Energy: 1.182981541813111
Energy: 1.2003022254036864
Energy: 1.182981541801649
Energy: 1.198610935807431
Energy: 1.1895021889701418
Energy: 1.1985100672145754
Energy: 1.1895021889667032
Energy: 1.4153345245303794
Energy: 1.1835213763311994
Energy: 1.3740501699557461
Energy: 1.1835213763300532
Energy: 1.4233869688055152
Energy: 1.4163288755375136
Energy: 1.3739457353975402
Energy: 1.4163288755375136
Energy: 1.1964688381348687
Energy: 1.238358847937096
Energy: 1.1982993026717066
Energy: 1.2383588479359497
Energy: 1.205462775387426
Energy: 1.183671521628358
Energy: 1.1976453845952668
Energy: 1.183671521628358

minimum gb energy = 1.1638724757825099 eV
minimum distance =  2.32986521466028 Angstroms
sigma value = 37


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

Energy: 1.543531124500779
Energy: 1.350322696108065
Energy: 1.348755972154474
Energy: 1.1354069036238044
Energy: 1.1419399747801655
Energy: 1.132590937577131
Energy: 1.144328059621806
Energy: 1.1325909375779375
Energy: 1.1429690508995598
Energy: 1.1334421231911576
Energy: 1.2075584695684565
Energy: 1.1334421231907768
Energy: 1.1404793989490798
Energy: 1.1276424717271047
Energy: 1.2098648232337095
Energy: 1.1276424717273066
Energy: 1.1430964994204325
Energy: 1.184760769555724
Energy: 1.1758485809891608
Energy: 1.1847607695555225
Energy: 1.3209988307136526
Energy: 1.0957435777063722
Energy: 1.1748557286336367
Energy: 1.095743577705969
Energy: 1.321322863504192
Energy: 1.0937310312729298
Energy: 1.181340379937574
Energy: 1.0937310312731314
Energy: 1.2865843802020234
Energy: 1.259870334491313
Energy: 1.1747997183075127
Energy: 1.2598703344938673
Energy: 1.2642808320691032
Energy: 1.0784126710752042
Energy: 1.2658131093245528
Energy: 1.0784126710748234
Energy: 1.2662044406044832
Energy: 1.076844265159302
Energy: 1.2655439937469966
Energy: 1.0768442651596828
Energy: 1.2166668168510817
Energy: 1.2993994312011536
Energy: 1.2838890482637093
Energy: 1.2993994312017587
Energy: 1.1742006556965665
Energy: 1.0949274113712668
Energy: 1.2865510804419826
Energy: 1.0949274113720513
Energy: 1.1742019214414003
Energy: 1.093881485312848
Energy: 1.2866886861457525
Energy: 1.0938814853118621
Energy: 1.1754588228991192
Energy: 1.2283020866476688
Energy: 1.142719325660241
Energy: 1.2283020866476688
Energy: 1.2831471058311739
Energy: 1.1325458730378282
Energy: 1.141472184184717
Energy: 1.1325458730374474
Energy: 1.175130094944401
Energy: 1.132982823238691
Energy: 1.1434410665166024
Energy: 1.1329828232392736
Energy: 1.14401028537832
Energy: 1.1445237429753354
Energy: 1.1421740987392341
Energy: 1.1445237429751336
Energy: 1.3480261720701272
Energy: 1.3482474332635392
Energy: 1.1695530632001878
Energy: 1.3482474332637187
Energy: 1.142793688261088
Energy: 1.1299772874984515
Energy: 1.1704135410475835
Energy: 1.129977287498272
Energy: 1.1347815021322738
Energy: 1.1315084738868417
Energy: 1.1430430705892092
Energy: 1.1315084738864607

minimum gb energy = 1.076844265159302 eV
minimum distance =  2.32691065941535 Angstroms
sigma value = 25


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

Energy: 1.201831723990374
Energy: 1.2149981405373194
Energy: 1.2167256476887192
Energy: 1.0418956441143172
Energy: 1.045001250141455
Energy: 1.2307582597045812
Energy: 1.0467209766424919
Energy: 1.230758259703041
Energy: 1.0453536837243744
Energy: 1.039493468856939
Energy: 1.0744833752848315
Energy: 1.039493468856939
Energy: 1.044261221169728
Energy: 1.035093114432944
Energy: 1.0291877941143808
Energy: 1.035093114432944
Energy: 1.060558361425559
Energy: 1.0926338779583546
Energy: 1.058433900585379
Energy: 1.0926338779598945
Energy: 1.0414025048922513
Energy: 1.006820924797443
Energy: 1.0585578843517476
Energy: 1.006820924797443
Energy: 1.0351346933766006
Energy: 1.005017259316998
Energy: 1.0601954141176129
Energy: 1.005017259316998
Energy: 1.1430525778851244
Energy: 1.2011574302915848
Energy: 1.0589709724630143
Energy: 1.2011574302900447
Energy: 1.1058321203735535
Energy: 0.9806888541632272
Energy: 1.1209422998207321
Energy: 0.9806888541647669
Energy: 1.1095345201259668
Energy: 0.9799862247337623
Energy: 1.1264854312878256
Energy: 0.9799862247337623
Energy: 1.1408867151836861
Energy: 1.1881987533613771
Energy: 1.1961639149776955
Energy: 1.1881987533613771
Energy: 1.1682433577182292
Energy: 0.9746225845039667
Energy: 1.1682972574912351
Energy: 0.9746225845039667
Energy: 1.168714283658327
Energy: 0.9711034341135241
Energy: 1.1682955076341544
Energy: 0.9711034341135241
Energy: 1.198178827042741
Energy: 1.1020465537254258
Energy: 1.1104864434892405
Energy: 1.1020465537223458
Energy: 1.127102189808613
Energy: 0.9796552496481566
Energy: 1.106518659689515
Energy: 0.9796552496481566
Energy: 1.1260735235058323
Energy: 0.9801783830410955
Energy: 1.1081417005828837
Energy: 0.9801783830410955
Energy: 1.063354084156014
Energy: 1.059659783553296
Energy: 1.1433398907067518
Energy: 1.059659783553296
Energy: 1.0593642939938577
Energy: 1.004343954517864
Energy: 1.0543589391470767
Energy: 1.0043439545163242
Energy: 1.0584343175551802
Energy: 1.0081484754079773
Energy: 1.0601084228269186
Energy: 1.0081484754064374
Energy: 1.0601124958030403
Energy: 1.0451904592501662
Energy: 1.0454522248092113
Energy: 1.0451904592517063
Energy: 1.036197668073463
Energy: 1.035760423538773
Energy: 1.0456281558386065
Energy: 1.0357604235372329
Energy: 1.059886902951459
Energy: 1.0383929094321531
Energy: 1.0453570192734676
Energy: 1.0383929094306132
Energy: 1.0461606694805574
Energy: 1.0395310208448305
Energy: 1.0532924004284707
Energy: 1.0395310208463702
Energy: 1.217107885972958
Energy: 1.2129285063360347
Energy: 1.029113145454911
Energy: 1.2129285063360347
Energy: 1.0453851454873437
Energy: 1.0392103500742642
Energy: 1.0453390054607536
Energy: 1.0392103500742642
Energy: 1.034052915343567
Energy: 1.0372697468425005
Energy: 1.045378784124336
Energy: 1.0372697468425005

minimum gb energy = 0.9711034341135241 eV
minimum distance =  2.32761654992288 Angstroms
sigma value = 41


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

Energy: 1.100409234466977
Energy: 1.1568890540310808
Energy: 1.1566162726118232
Energy: 0.9621062603933594
Energy: 0.9639014686978846
Energy: 0.9949603222047347
Energy: 0.9641739657722228
Energy: 0.9949603222047347
Energy: 0.9631785984978258
Energy: 0.9576404109284801
Energy: 0.9816675721608934
Energy: 0.9576404109284801
Energy: 0.9631010353234367
Energy: 0.9560468864309382
Energy: 0.9482235011723855
Energy: 0.9560468864296756
Energy: 0.9704547531096458
Energy: 0.9401324263986979
Energy: 0.9704351919576596
Energy: 0.9401324263949103
Energy: 0.9537266954211426
Energy: 0.9321507112651786
Energy: 0.9765670577813117
Energy: 0.9321507112626536
Energy: 0.9536975401908611
Energy: 0.9302954359040192
Energy: 0.9704840425486282
Energy: 0.9302954359040192
Energy: 1.040018518075733
Energy: 0.9719018150400655
Energy: 0.9701286424876258
Energy: 0.9719018150299659
Energy: 1.0027805646281271
Energy: 0.9082863407654665
Energy: 0.9865440240169734
Energy: 0.908286340766729
Energy: 1.0035463163651117
Energy: 0.9077542196299301
Energy: 0.9873765681851091
Energy: 0.9077542196286676
Energy: 1.0265749911423911
Energy: 1.1173541214393594
Energy: 1.0898987192340495
Energy: 1.1173541214393594
Energy: 1.0384967431196168
Energy: 0.8952600903162257
Energy: 1.0444966974586705
Energy: 0.8952600903137009
Energy: 1.0930782233280192
Energy: 0.8955425123751379
Energy: 1.0452561097192123
Energy: 0.8955425123751379
Energy: 1.0821283928294751
Energy: 1.0954202962593402
Energy: 1.0789930847021196
Energy: 1.0954202962593402
Energy: 1.0816201263859626
Energy: 0.8884729242795875
Energy: 1.0815501653245077
Energy: 0.8884729242783249
Energy: 1.086172465440529
Energy: 0.8880401164867946
Energy: 1.0781386723143276
Energy: 0.8880401164867946
Energy: 1.0436603503001896
Energy: 0.9585411092380115
Energy: 1.0866447210919739
Energy: 0.9585411092367492
Energy: 1.0430225499239745
Energy: 0.89132968227053
Energy: 1.0383072503354185
Energy: 0.8913296822717923
Energy: 1.0566302880941094
Energy: 0.8937300982660275
Energy: 1.047892112438679
Energy: 0.8937300982672899
Energy: 1.0862490594783734
Energy: 0.942357810233752
Energy: 1.0029416961892292
Energy: 0.9423578102324895
Energy: 0.9713759852220923
Energy: 0.9049385454033646
Energy: 1.0038349607993335
Energy: 0.9049385454033646
Energy: 0.9707321752472726
Energy: 0.9075024087838411
Energy: 1.0441116925813339
Energy: 0.9075024087838411
Energy: 0.9714123013418637
Energy: 0.9322164308119693
Energy: 1.039314658760292
Energy: 0.9322164308119693
Energy: 0.9704461606780296
Energy: 0.929273198115038
Energy: 0.9655767251040224
Energy: 0.929273198115038
Energy: 0.9698528273142591
Energy: 1.1451254016337922
Energy: 0.9709804457446346
Energy: 1.1451254016337922
Energy: 0.957485963172163
Energy: 0.9579523760644026
Energy: 0.9652211898508678
Energy: 0.9579523760644026
Energy: 0.9573713037680224
Energy: 0.9571570027795552
Energy: 0.9695156604330413
Energy: 0.9571570027782926
Energy: 0.9699938799180533
Energy: 0.9652984921515326
Energy: 0.9635161999536035
Energy: 0.9652984921502702
Energy: 0.9672699720634392
Energy: 0.9580198759822522
Energy: 0.9522094503520668
Energy: 0.9580198759835147
Energy: 0.9629567464291648
Energy: 0.9597377866503626
Energy: 0.952031316683976
Energy: 0.9597377866503626
Energy: 0.9637770373427774
Energy: 0.9621521913530515
Energy: 0.963364488354786
Energy: 0.9621521913517892
Energy: 0.9590441087192562
Energy: 0.9575465333991242
Energy: 0.9675388154786643
Energy: 0.9575465334003866

minimum gb energy = 0.8880401164867946 eV
minimum distance =  2.32799900366882 Angstroms
sigma value = 15


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

Energy: 1.883143339434954
Energy: 1.0589687853690064
Energy: 1.0591071541107635
Energy: 0.8950386819889892
Energy: 0.8960774579181174
Energy: 0.8691364296931583
Energy: 0.8989903349100523
Energy: 0.8691364296920889
Energy: 0.8949943188274004
Energy: 0.8914044001222471
Energy: 0.9063989919903582
Energy: 0.8914044001211776
Energy: 0.8952628827419434
Energy: 0.8890805441009191
Energy: 0.8821823406584715
Energy: 0.8890805440998495
Energy: 0.8998504854796616
Energy: 0.9593887730096058
Energy: 0.8996672864594688
Energy: 0.9593887730106752
Energy: 0.9462085778317885
Energy: 0.8675926554960107
Energy: 0.9067355403273726
Energy: 0.8675926554960107
Energy: 0.9049894481379738
Energy: 0.8666790534584471
Energy: 0.8985059826272489
Energy: 0.8666790534563081
Energy: 0.957707254981882
Energy: 0.9246682925236975
Energy: 0.966710003585432
Energy: 0.924668292524767
Energy: 0.9245590062203037
Energy: 0.8468521301965236
Energy: 0.9077540538957677
Energy: 0.8468521301975932
Energy: 0.9236097595177919
Energy: 0.8463206001895441
Energy: 0.9078487844885841
Energy: 0.8463206001884747
Energy: 0.9508810357843563
Energy: 0.9277664449331577
Energy: 1.0058341090655432
Energy: 0.9277664449310188
Energy: 0.9742984282924403
Energy: 0.8317057610222581
Energy: 0.9544729970647702
Energy: 0.8317057610243971
Energy: 0.9839572104315598
Energy: 0.8307377579253267
Energy: 0.9547556821923445
Energy: 0.830737757926396
Energy: 0.9951710357905181
Energy: 0.9732644317931526
Energy: 0.9766362770625935
Energy: 0.9732644318679673
Energy: 0.9898574122761886
Energy: 0.8245546555697589
Energy: 0.9894235798493524
Energy: 0.8245546555686893
Energy: 0.9843542975683425
Energy: 0.8252836619450049
Energy: 1.0019293046375615
Energy: 0.8252836619450049
Energy: 1.005929789915716
Energy: 0.9283289214926841
Energy: 0.9946383068284552
Energy: 0.9283289214916147
Energy: 1.0044299337030698
Energy: 0.8195060585894473
Energy: 1.0042509984132357
Energy: 0.8195060585894473
Energy: 0.9955198853315091
Energy: 0.8258677830004374
Energy: 1.0076738455479883
Energy: 0.8258677830025763
Energy: 1.00042077122394
Energy: 0.8264289697248701
Energy: 0.9835343068476115
Energy: 0.8264289697248701
Energy: 0.9706486454329167
Energy: 0.8239828460146805
Energy: 0.9913137631493799
Energy: 0.8239828460146805
Energy: 0.978212271735236
Energy: 1.0951155993340556
Energy: 0.9946779883474713
Energy: 1.0951155993361945
Energy: 0.9543593630514594
Energy: 0.8321901609012513
Energy: 0.9942761129879105
Energy: 0.8321901609012513
Energy: 0.9552387538847967
Energy: 0.8311450036117689
Energy: 0.9411186644792069
Energy: 0.8311450036096297
Energy: 1.0046730522527025
Energy: 1.1606508006058593
Energy: 0.9517694856636418
Energy: 1.16065080060479
Energy: 1.0005052172244269
Energy: 0.84603157876237
Energy: 0.9231764691000746
Energy: 0.8460315787613006
Energy: 0.938060235144505
Energy: 0.8473524499199983
Energy: 0.9239909332113427
Energy: 0.8473524499210678
Energy: 0.898997928124874
Energy: 0.922516811098615
Energy: 0.9579842960862424
Energy: 0.9225168110921981
Energy: 0.8983193212286672
Energy: 0.8673285430775363
Energy: 0.8972674936296353
Energy: 0.8673285430786056
Energy: 0.9054014420926026
Energy: 0.8694184156332003
Energy: 0.8959583930226552
Energy: 0.8694184156332003
Energy: 0.8994545367742905
Energy: 0.8780455191420816
Energy: 0.8986599174489119
Energy: 0.8780455191431511
Energy: 0.8926083662369695
Energy: 0.8893221282098854
Energy: 0.8950214428209063
Energy: 0.8893221282088161
Energy: 0.8954745956357154
Energy: 0.8906940534802137
Energy: 0.9082611602566362
Energy: 0.890694053481283
Energy: 0.8985009315681293
Energy: 0.8699418627192887
Energy: 0.8958029829226036
Energy: 0.8699418627171498
Energy: 1.017399758905149
Energy: 1.015763257767072
Energy: 0.8874579613883559
Energy: 1.0157632577649331
Energy: 0.8953374728482208
Energy: 0.8932930228338024
Energy: 0.8954484363481825
Energy: 0.8932930228348719
Energy: 0.906111724678632
Energy: 0.8919906732335634
Energy: 0.8952275061888659
Energy: 0.891990673234633

minimum gb energy = 0.8195060585894473 eV
minimum distance =  2.32183288970464 Angstroms
sigma value = 85


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

Energy: 0.944206943222837
Energy: 0.8859730635147086
Energy: 0.887607767588361
Energy: 0.7687600338949149
Energy: 0.7841520092551947
Energy: 0.7603992001232537
Energy: 0.7940796426207157
Energy: 0.7603992001241813
Energy: 0.7845559577268717
Energy: 0.7794290424266179
Energy: 0.8196821405849362
Energy: 0.7794290424256903
Energy: 0.7845832854042939
Energy: 0.7772538181681135
Energy: 0.778439663995698
Energy: 0.7772538181681135
Energy: 0.7954289429736432
Energy: 0.770082589835219
Energy: 0.7939400454453616
Energy: 0.770082589858408
Energy: 0.7821382155425947
Energy: 0.7618928346277859
Energy: 0.7938365781109807
Energy: 0.7618928346287135
Energy: 0.782647103320548
Energy: 0.7616320009591155
Energy: 0.7933555334055424
Energy: 0.7616320009591155
Energy: 0.8498900354272989
Energy: 0.8513675445450106
Energy: 0.8484257351961754
Energy: 0.8513675445459383
Energy: 0.8259805808414781
Energy: 0.7496950414446386
Energy: 0.7964892353736451
Energy: 0.7496950414446386
Energy: 0.8229274284837397
Energy: 0.7505159674777344
Energy: 0.7965662408796308
Energy: 0.7505159674786621
Energy: 0.844985321000699
Energy: 0.8234979895860993
Energy: 0.8938102480204618
Energy: 0.8234979895851718
Energy: 0.8751356251463899
Energy: 0.7459613370702501
Energy: 0.8588020450546561
Energy: 0.7459613370711775
Energy: 0.9001841160938084
Energy: 0.7445161752504983
Energy: 0.8584344561708189
Energy: 0.7445161752495707
Energy: 0.9009815576668593
Energy: 0.8710243400259179
Energy: 0.8833505179434851
Energy: 0.8710243400249903
Energy: 0.8921904327160061
Energy: 0.7450107799704774
Energy: 0.8852618865313957
Energy: 0.7450107799704774
Energy: 0.8919229793520126
Energy: 0.7461960131128244
Energy: 0.9063940684346901
Energy: 0.7461960131118968
Energy: 0.8935219956313707
Energy: 0.7455941751985123
Energy: 0.9072148784178191
Energy: 0.7455941751975848
Energy: 0.8917126377578134
Energy: 0.7456612051351905
Energy: 0.9179490860912448
Energy: 0.7456612051351905
Energy: 0.9101115265177259
Energy: 0.7457651710276909
Energy: 0.9178938919206951
Energy: 0.7457651710276909
Energy: 0.9102432327883053
Energy: 0.748258503712381
Energy: 0.9347679956673818
Energy: 0.7482585037133086
Energy: 0.9338225877346124
Energy: 0.746995247382727
Energy: 0.9339250272521377
Energy: 0.7469952473817996
Energy: 0.8969554377584298
Energy: 0.8990440059286856
Energy: 0.9114977893437619
Energy: 0.8990440059286856
Energy: 0.9185695370012352
Energy: 0.7459073017862826
Energy: 0.9102764007832354
Energy: 0.7459073017853551
Energy: 0.9179484089109684
Energy: 0.7461267830188564
Energy: 0.8915915258470086
Energy: 0.7461267830188564
Energy: 0.9077624524148099
Energy: 0.893911005241071
Energy: 0.8943268694990261
Energy: 0.893911005241071
Energy: 0.8854919345409463
Energy: 0.7445931020398905
Energy: 0.8925183563420639
Energy: 0.744593102040818
Energy: 0.8834502973593634
Energy: 0.7446650262525004
Energy: 0.8926501098377718
Energy: 0.7446650262525004
Energy: 0.8867592988661027
Energy: 0.868190701608605
Energy: 0.8999274266739148
Energy: 0.868190701608605
Energy: 0.8593225930083258
Energy: 0.7455704136691
Energy: 0.8448124382895666
Energy: 0.7455704136681726
Energy: 0.86048363256179
Energy: 0.745901958696439
Energy: 0.8451879234426695
Energy: 0.7459019586955115
Energy: 0.8940256930668325
Energy: 0.8203961385015711
Energy: 0.8449226764608087
Energy: 0.8203961385015711
Energy: 0.8309726960888526
Energy: 0.748114970780247
Energy: 0.8234735940545181
Energy: 0.7481149707793194
Energy: 0.8487462061331748
Energy: 0.7476792364617074
Energy: 0.8233883887185853
Energy: 0.7476792364617074
Energy: 0.7938974802526536
Energy: 0.7934624829756018
Energy: 0.8503552649153033
Energy: 0.7934624829700576
Energy: 0.7936960484776342
Energy: 0.7601835478995314
Energy: 0.8235452480529007
Energy: 0.7601835479004588
Energy: 0.793726683629202
Energy: 0.7625734046320027
Energy: 0.8501044113135221
Energy: 0.7625734046320027
Energy: 0.8370471600379694
Energy: 0.7701485493193028
Energy: 0.7946560808334857
Energy: 0.7701485493193028
Energy: 0.7644138825980611
Energy: 0.7777169678062871
Energy: 0.7868282677091417
Energy: 0.7777169678062871
Energy: 0.7938115984716396
Energy: 0.7772159028147321
Energy: 0.7841984776404964
Energy: 0.7772159028156597
Energy: 0.7935648769025674
Energy: 0.760629190209515
Energy: 0.8316911543184939
Energy: 0.7606291902085875
Energy: 0.7844816023464131
Energy: 0.7777980407191775
Energy: 0.7674653011878365
Energy: 0.7777980407201052
Energy: 0.7841736787214488
Energy: 0.8334123094310089
Energy: 0.7843137308809165
Energy: 0.8334123094310089
Energy: 0.7481449468308912
Energy: 0.7787627496328797
Energy: 0.784410427629678
Energy: 0.7787627496319522

minimum gb energy = 0.7445161752495707 eV
minimum distance =  2.31764988885645 Angstroms
sigma value = 113


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

Energy: 0.015014893200323575
Energy: 0.10830421000036351
Energy: 1.0002835701267387
Energy: 0.015311711212553354
Energy: 0.07182269320079471
Energy: 0.07120377855309286
Energy: 0.0722638452954526
Energy: 0.07120377855309286
Energy: 0.07387628145674177
Energy: 0.10814440915450939
Energy: 0.016001685628040437
Energy: 0.10814440915522244
Energy: 0.06923628695463958
Energy: 0.10906672497358133
Energy: 0.016638397755632178
Energy: 0.10906672497290788
Energy: 0.07064673857321406
Energy: 0.07002845919469079
Energy: 0.07001858993294387
Energy: 0.07002845919397774
Energy: 0.015670947364283986
Energy: 0.10798602501764827
Energy: 0.0764412297885606
Energy: 0.10798602501764827

minimum gb energy = 0.015014893200323575 eV
minimum distance =  2.44334374674923 Angstroms
sigma value = 1