Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450350014970536
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-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: 0.018089586730405383
Energy: 1.1671051263192929
Energy: 1.3047160053211861
Energy: 0.13811509959326793
Energy: 1.1671051263192929
Energy: 1.4215427445461661
Energy: 0.13811509959260693
Energy: 1.4215427445467905
Energy: 1.304716005319901
Energy: 0.13811509959326793
Energy: 0.018089586730405383
Energy: 0.018962158179228805
Energy: 0.13811509959326793
Energy: 1.4215427445467905
Energy: 0.01896215817985309
Energy: 1.4215427445467905

minimum gb energy = 0.018089586730405383 eV
minimum distance =  2.43468478311526 Angstroms
sigma value = 1


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

Energy: 2.2126942272232126
Energy: 1.3195483718111192
Energy: 1.3643451877664265
Energy: 1.3625870851576602
Energy: 1.33687869558283
Energy: 1.3772125539805904
Energy: 1.3021317638591474
Energy: 1.3772125539805904
Energy: 1.3641146687725885
Energy: 1.3629139091461617
Energy: 1.3069951255446515
Energy: 1.3629139091453601
Energy: 1.3761872787503426
Energy: 1.314839506991547
Energy: 1.3025188736009046
Energy: 1.314839506991547
Energy: 1.359132289378825
Energy: 1.3668045522091403
Energy: 1.3053619303243083
Energy: 1.3668045522091403
Energy: 1.3759468902870762
Energy: 1.4323978680114315
Energy: 1.3042185158172785
Energy: 1.43239786801063
Energy: 1.3645788672343822
Energy: 1.399961260281007
Energy: 1.3596020585617075
Energy: 1.3999612602818086
Energy: 1.3606614267449257
Energy: 1.3919211014205164
Energy: 1.4080981404939137
Energy: 1.3919211014205164
Energy: 1.3786688980059192
Energy: 1.428883466150068
Energy: 1.3791933370966207
Energy: 1.4288834661492664
Energy: 1.4088938834690683
Energy: 1.4193435741740348
Energy: 1.3799812102742848
Energy: 1.4193435741740348
Energy: 1.3750014182448047
Energy: 1.4282312981768577
Energy: 1.3792779503549528
Energy: 1.4282312981768577
Energy: 1.3619298028504196
Energy: 1.4273379999611744
Energy: 1.4125568642805146
Energy: 1.4273379999611744
Energy: 1.3639998294917632
Energy: 1.3994831148758697
Energy: 1.3365140356372767
Energy: 1.3994831148758697
Energy: 1.3760143550084614
Energy: 1.3994718208567165
Energy: 1.3730592668912043
Energy: 1.39947182085832
Energy: 1.33603271531682
Energy: 1.3149568093697013
Energy: 1.3029144661109426
Energy: 1.3149568093688995
Energy: 1.333914275611139
Energy: 1.3149401946726713
Energy: 1.3031097963233071
Energy: 1.314940194673473
Energy: 1.3631081866431582
Energy: 1.3621957743444169
Energy: 1.265677177765173
Energy: 1.3621957743452187
Energy: 1.3023463297897557
Energy: 1.303933040786822
Energy: 1.3368006546345248
Energy: 1.3039330407876237
Energy: 1.3054860561849448
Energy: 1.3621239104939216
Energy: 1.362183108689446
Energy: 1.3621239104939216
Energy: 1.3751391851250236
Energy: 1.3041727468977442
Energy: 1.3764463450255975
Energy: 1.3041727468953392
Energy: 1.3026569626524394
Energy: 1.3657979594472716
Energy: 1.3593135441432573
Energy: 1.3657979594472716
Energy: 1.3039328517125708
Energy: 1.3160642270452185
Energy: 1.3761239385768513
Energy: 1.3160642270452185
Energy: 1.359769832793997
Energy: 1.451419397862189
Energy: 1.3631316124349502
Energy: 1.451419397862189
Energy: 1.4089511675909367
Energy: 1.3997971959014957
Energy: 1.3627281314411517
Energy: 1.3997971959014957
Energy: 1.3793543768578744
Energy: 1.4305513213734873
Energy: 1.3786707300599659
Energy: 1.4305513213726855
Energy: 1.3818573701048775
Energy: 1.4295223099595864
Energy: 1.410604449638695
Energy: 1.4295223099587846
Energy: 1.379568176783553
Energy: 1.429672743790473
Energy: 1.3751160696324392
Energy: 1.4296727437896715
Energy: 1.409168616729331
Energy: 1.4264661298838457
Energy: 1.3602456254675106
Energy: 1.4264661298822425
Energy: 1.3364434052557796
Energy: 1.4004631533614575
Energy: 1.38356330988667
Energy: 1.400463153360656
Energy: 1.3738435116082202
Energy: 1.3986623780092489
Energy: 1.3756047682888495
Energy: 1.3986623780108522
Energy: 1.3112547337789877
Energy: 1.3156301775903994
Energy: 1.3358740252608599
Energy: 1.3156301775895978
Energy: 1.3030313652782333
Energy: 1.315595627112892
Energy: 1.3341856386950763
Energy: 1.315595627112892
Energy: 1.2655385631632956
Energy: 1.3627436721514172
Energy: 1.3642072373096503
Energy: 1.3627436721514172

minimum gb energy = 1.2655385631632956 eV
minimum distance =  2.23542952385362 Angstroms
sigma value = 1


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

Energy: 2.5022789230175837
Energy: 1.3219705596247195
Energy: 1.428020686481985
Energy: 1.4290573296886364
Energy: 1.4095286109800207
Energy: 1.4397541907370262
Energy: 1.3645537878915062
Energy: 1.439754190736112
Energy: 1.4274604337737409
Energy: 1.4288238827032764
Energy: 1.366558525276746
Energy: 1.4288238827051043
Energy: 1.4541450936167737
Energy: 1.379640139774619
Energy: 1.3660537645462503
Energy: 1.379640139774619
Energy: 1.3664748977351142
Energy: 1.4345396329678963
Energy: 1.364373867093006
Energy: 1.4345396329678963
Energy: 1.512456318112201
Energy: 1.5082991303751017
Energy: 1.3682110667103218
Energy: 1.5082991303751017
Energy: 1.4439939647529079
Energy: 1.4814699005753433
Energy: 1.4334716378518435
Energy: 1.4814699005753433
Energy: 1.4341518656622516
Energy: 1.4738913546095953
Energy: 1.4876367330764417
Energy: 1.4738913546095953
Energy: 1.4360509238998367
Energy: 1.509235428342996
Energy: 1.448951585696693
Energy: 1.509235428342082
Energy: 1.4872260415757876
Energy: 1.5108121969188693
Energy: 1.4364834305259946
Energy: 1.5108121969188693
Energy: 1.408830389163565
Energy: 1.4809031819992644
Energy: 1.4406496223719123
Energy: 1.4809031820010925
Energy: 1.4489473031149054
Energy: 1.4797097797835532
Energy: 1.4546079969890808
Energy: 1.479709779785381
Energy: 1.3659399577729887
Energy: 1.378606747759345
Energy: 1.4080511509934555
Energy: 1.378606747757517
Energy: 1.365993798233841
Energy: 1.3798866516244195
Energy: 1.4010035536370542
Energy: 1.3798866516280759
Energy: 1.3179446370455987
Energy: 1.4290174513297353
Energy: 1.4297766153902776
Energy: 1.4290174513297353
Energy: 1.4095479938705493
Energy: 1.3648740114047364
Energy: 1.3657095670389516
Energy: 1.3648740114056501
Energy: 1.4283161101469335
Energy: 1.4287729535600704
Energy: 1.3683052209310003
Energy: 1.4287729535573281
Energy: 1.3665135383032339
Energy: 1.36597326180587
Energy: 1.4537654914998401
Energy: 1.365973261808612
Energy: 1.366673424259688
Energy: 1.4347165745198633
Energy: 1.3659711447877092
Energy: 1.434716574517121
Energy: 1.4539286703942504
Energy: 1.3796022085427353
Energy: 1.3676069618472535
Energy: 1.3796022085390791
Energy: 1.4404526684751713
Energy: 1.5353109757483079
Energy: 1.4341343825463317
Energy: 1.535310975745566
Energy: 1.43350161004245
Energy: 1.480493353434068
Energy: 1.489001980285275
Energy: 1.48049335343224
Energy: 1.4356584993369779
Energy: 1.5097792869345121
Energy: 1.4488932037055529
Energy: 1.5097792869372542
Energy: 1.4879370626624793
Energy: 1.5162473436936839
Energy: 1.436138502590718
Energy: 1.5162473436927697
Energy: 1.408733949999287
Energy: 1.4818653487950884
Energy: 1.438560306822066
Energy: 1.4818653487960023
Energy: 1.4477691026641095
Energy: 1.4835251168930015
Energy: 1.5141491561441063
Energy: 1.4835251168939156
Energy: 1.3764884650632585
Energy: 1.3791869981897935
Energy: 1.4079972314959242
Energy: 1.3791869981916214
Energy: 1.3649982858891005
Energy: 1.3792572521014779
Energy: 1.4014094067745346
Energy: 1.3792572521005637
Energy: 1.3176329363128685
Energy: 1.429178776270196
Energy: 1.4300748039928677
Energy: 1.4291787762711101

minimum gb energy = 1.3176329363128685 eV
minimum distance =  2.23531404571635 Angstroms
sigma value = 25


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

Energy: 2.3534917289519743
Energy: 1.4449436254817454
Energy: 1.4988458185996842
Energy: 1.4981939965617441
Energy: 1.4942587545940107
Energy: 1.5026449112301625
Energy: 1.4335549175823932
Energy: 1.5026449112301625
Energy: 1.4977110437825367
Energy: 1.498430509291568
Energy: 2.119559699490989
Energy: 1.498430509291568
Energy: 1.501465781105317
Energy: 1.450404737140478
Energy: 1.4336398150938523
Energy: 1.450404737140478
Energy: 1.436850353378958
Energy: 1.5111723406839237
Energy: 1.4337425587074688
Energy: 1.5111723406849864
Energy: 1.606581863728869
Energy: 1.4372367817202718
Energy: 1.436798862184952
Energy: 1.4372367817192093
Energy: 1.5117720243998234
Energy: 1.6028689619500096
Energy: 1.5383987897647184
Energy: 1.602868961951072
Energy: 1.5029838041588668
Energy: 1.571838975538516
Energy: 1.5748731188586556
Energy: 1.5718389755395785
Energy: 1.5120355801914633
Energy: 1.6025494334103858
Energy: 1.492838358523811
Energy: 1.6025494334103858
Energy: 1.607640639554571
Energy: 1.5774724801306477
Energy: 1.5355334595648213
Energy: 1.5774724801295852
Energy: 1.3687338008394345
Energy: 1.4501866325637358
Energy: 1.4327525214593382
Energy: 1.450186632564798
Energy: 1.4716891444511855
Energy: 1.450680143706362
Energy: 1.4338806224653686
Energy: 1.450680143706362
Energy: 1.4975518468909992
Energy: 1.4980418820891972
Energy: 1.3668519765501967
Energy: 1.4980418820891972
Energy: 1.4336178539370028
Energy: 1.435285335900349
Energy: 1.494050879484104
Energy: 1.435285335900349
Energy: 1.4360749926441152
Energy: 1.4984414225349798
Energy: 1.5000780162996967
Energy: 1.4984414225349798
Energy: 1.543446837980482
Energy: 1.4334180285370735
Energy: 1.502009392875133
Energy: 1.4334180285370735
Energy: 1.4356635269481663
Energy: 1.5111553509675566
Energy: 1.4367901098465048
Energy: 1.5111553509675566
Energy: 1.4378418321395774
Energy: 1.4497093863779258
Energy: 1.6061235593230527
Energy: 1.449709386376863
Energy: 1.5107550366413156
Energy: 1.5994500925522124
Energy: 1.513524847824847
Energy: 1.5994500925543376
Energy: 1.5769886096281591
Energy: 1.5761514874447653
Energy: 1.5065731618435632
Energy: 1.5761514874437026
Energy: 1.4926018932343454
Energy: 1.578155248516465
Energy: 1.512708316313897
Energy: 1.5781552485175274
Energy: 1.5348292564310986
Energy: 1.5769165780842997
Energy: 1.6075219754218908
Energy: 1.576916578085362
Energy: 1.4491559887962513
Energy: 1.4501023770874677
Energy: 1.3672521529935857
Energy: 1.4501023770885302
Energy: 1.4342524716754252
Energy: 1.4499187251112131
Energy: 1.4716744195207312
Energy: 1.4499187251112131
Energy: 1.3686467333365688
Energy: 1.4989114450809344
Energy: 1.4987710971405803
Energy: 1.4989114450809344

minimum gb energy = 1.3668519765501967 eV
minimum distance =  2.24105879545724 Angstroms
sigma value = 9


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

Energy: 2.1332930561533967
Energy: 1.4282052067542605
Energy: 1.5701807028289525
Energy: 1.568912311129147
Energy: 1.7428077768519148
Energy: 1.5615318291145217
Energy: 1.589774397666901
Energy: 1.561531829113254
Energy: 1.5695342374666432
Energy: 1.5689938548057771
Energy: 1.577420030840064
Energy: 1.5689938548057771
Energy: 1.5817137302560849
Energy: 1.5283229163753382
Energy: 1.5896316822891798
Energy: 1.5283229163766057
Energy: 1.5043802130946338
Energy: 1.5270531786934112
Energy: 1.507690555201366
Energy: 1.5270531786934112
Energy: 1.7166376644464725
Energy: 1.5275203411413179
Energy: 1.505762754724198
Energy: 1.5275203411425857
Energy: 1.5931476898653296
Energy: 1.7107893495835234
Energy: 1.5404312051922047
Energy: 1.7107893495822557
Energy: 1.5054792487466784
Energy: 1.6902622476483418
Energy: 1.7172055074799273
Energy: 1.690262247649609
Energy: 1.5066581224004454
Energy: 1.5271685438070015
Energy: 1.413816932143287
Energy: 1.527168543805734
Energy: 1.5088168400980344
Energy: 1.5284806868923473
Energy: 1.545308772749106
Energy: 1.5284806868910799
Energy: 1.4126994095842502
Energy: 1.5683182089160936
Energy: 1.5688164664764985
Energy: 1.5683182089160936
Energy: 1.7434690164474977
Energy: 1.4925217483498525
Energy: 1.5894876570430134
Energy: 1.49252174835112
Energy: 1.5691281242824637
Energy: 1.5693048830232121
Energy: 1.5773811433798222
Energy: 1.5693048830244796
Energy: 1.5818276566175458
Energy: 1.4920659675459966
Energy: 1.7133364426153461
Energy: 1.4920659675472643
Energy: 1.5038784049957843
Energy: 1.5950485755864265
Energy: 1.5074779720230729
Energy: 1.595048575587694
Energy: 1.7165023485408837
Energy: 1.5272821768727587
Energy: 1.509391001132856
Energy: 1.527282176874026
Energy: 1.5928590527321842
Energy: 1.7120893031775504
Energy: 1.5398429610239628
Energy: 1.7120893031775504
Energy: 1.5827232698474276
Energy: 1.6933836263051947
Energy: 1.7151388895929573
Energy: 1.6933836263051947
Energy: 1.5266643243749551
Energy: 1.527752328399311
Energy: 1.4122472445084526
Energy: 1.527752328399311
Energy: 1.5904142503979757
Energy: 1.527694099503347
Energy: 1.4127703799052262
Energy: 1.5276940995008121
Energy: 1.4129982549303386
Energy: 1.5795683728266252
Energy: 1.5699779972632608
Energy: 1.5795683728266252

minimum gb energy = 1.4122472445084526 eV
minimum distance =  2.18944856138792 Angstroms
sigma value = 25


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

Energy: 1.8044934661815557
Energy: 1.5656624876022192
Energy: 1.6358829580441456
Energy: 1.633703312021523
Energy: 1.8672247102240966
Energy: 1.5496020974948959
Energy: 1.6732587779118575
Energy: 1.5496020974948959
Energy: 1.6347135823886272
Energy: 1.6349927842186514
Energy: 1.651791228374626
Energy: 1.6349927842186514
Energy: 1.6545947047978045
Energy: 1.550298178574948
Energy: 1.6732368264999782
Energy: 1.550298178574948
Energy: 1.6211745061363974
Energy: 1.64507055307731
Energy: 1.5872506027948934
Energy: 1.64507055307731
Energy: 1.8737087915102757
Energy: 1.6460008373914803
Energy: 1.4810544489259276
Energy: 1.6460008373914803
Energy: 1.725579665284989
Energy: 1.6447584866390843
Energy: 1.5859679612810968
Energy: 1.6447584866390843
Energy: 1.4366303853078706
Energy: 1.6452710367735635
Energy: 1.6738680520908356
Energy: 1.6452710367735635
Energy: 1.6334415843280947
Energy: 1.6336761247379352
Energy: 1.6574434213953015
Energy: 1.6336761247379352
Energy: 1.6733198502540838
Energy: 1.4436330762367486
Energy: 1.86720318862187
Energy: 1.4436330762367486
Energy: 1.4413755572638915
Energy: 1.6350460013642716
Energy: 1.6348909441275012
Energy: 1.6350460013642716
Energy: 1.6515926094587097
Energy: 1.6545311753250445
Energy: 1.6559261959665963
Energy: 1.654531175323477
Energy: 1.482671165537917
Energy: 1.6464413054254177
Energy: 1.621354535402789
Energy: 1.6464413054269849
Energy: 1.5870719949412082
Energy: 1.645458037725926
Energy: 1.8768142341381104
Energy: 1.645458037725926
Energy: 1.622644429249696
Energy: 1.6449265293633555
Energy: 1.7197479448594142
Energy: 1.6449265293633555
Energy: 1.6741933817741035
Energy: 1.663043619551766
Energy: 1.7216939530216007
Energy: 1.663043619551766
Energy: 1.8677392583245074
Energy: 1.445295022505268
Energy: 1.678454770244981
Energy: 1.445295022505268

minimum gb energy = 1.4366303853078706 eV
minimum distance =  2.27517041480282 Angstroms
sigma value = 17


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

Energy: 2.546529217937129
Energy: 1.7386520034416781
Energy: 1.7811483910771149
Energy: 1.7824029692592407
Energy: 1.6135214465820424
Energy: 1.721841320833715
Energy: 1.8675858677826764
Energy: 1.721841320833715
Energy: 1.5791816489331174
Energy: 1.577687223532407
Energy: 1.7204750184826458
Energy: 1.577687223532407
Energy: 1.5820860090994289
Energy: 1.7395474316941162
Energy: 1.5832977847099308
Energy: 1.7395474316950041
Energy: 1.699639299305496
Energy: 1.724931087310682
Energy: 1.6461043804020243
Energy: 1.724931087309794
Energy: 1.7133855820704047
Energy: 1.747793608167936
Energy: 1.6965529684782206
Energy: 1.7477936081670484
Energy: 1.6843420221516412
Energy: 1.5767975741433513
Energy: 1.5787382273194208
Energy: 1.576797574144239
Energy: 1.9830840240296426
Energy: 1.5838805096406634
Energy: 1.5769461336070432
Energy: 1.5838805096406634
Energy: 1.7842499608961906
Energy: 1.7832742103472752
Energy: 1.7193835752611166
Energy: 1.7832742103481631
Energy: 1.8403883029910657
Energy: 1.6992015258158824
Energy: 1.7314344708166736
Energy: 1.69920152581677
Energy: 1.697472683398755
Energy: 1.5796434026059525
Energy: 1.5725434776942024
Energy: 1.5796434023193597
Energy: 1.695375711269891
Energy: 1.5795705550360541
Energy: 1.5611426199957612
Energy: 1.579570555036942
Energy: 1.6845760346343686
Energy: 1.5790965568701032
Energy: 1.5612345727458647
Energy: 1.579096556868328
Energy: 1.684699804259907
Energy: 1.5799508473829795
Energy: 1.6224059245536435
Energy: 1.5799508473829795
Energy: 1.8436736541617997
Energy: 1.8393169465686896
Energy: 1.7213724774868915
Energy: 1.8393169465686896
Energy: 1.815756416593631
Energy: 1.8086521895922216
Energy: 1.7188392689126155
Energy: 1.8086521895922216
Energy: 1.7216160649244856
Energy: 1.5819046846937967
Energy: 1.5790411197493814
Energy: 1.5819046846937967
Energy: 1.7217685714267525
Energy: 1.5809152855633393
Energy: 1.5788769238291427
Energy: 1.5809152855633393
Energy: 1.717270243702155
Energy: 1.745446820806465
Energy: 1.7010706609545811
Energy: 1.745446820806465
Energy: 1.6733545236227287
Energy: 1.7452661475802613
Energy: 1.7004081318860953
Energy: 1.7452661475793736
Energy: 1.5810115070389912
Energy: 1.5835195591214126
Energy: 1.8407854967844874
Energy: 1.5835195591196372
Energy: 1.5771064145644007
Energy: 1.5869704937598936
Energy: 1.6845612568750579
Energy: 1.5869704937598936
Energy: 1.731212322850298
Energy: 1.8395648935800692
Energy: 1.8621401660457906
Energy: 1.8395648935800692
Energy: 1.7196807001961782
Energy: 1.7830021355601575
Energy: 1.781626034103005
Energy: 1.7830021355601575
Energy: 1.6221444110878085
Energy: 1.7223917031421925
Energy: 1.8386464012259358
Energy: 1.7223917031421925
Energy: 1.5613496687237156
Energy: 1.5797574988489675
Energy: 1.6982529157983952
Energy: 1.5797574988463041
Energy: 1.5687416916516055
Energy: 1.708703737979417
Energy: 1.6931570566822474
Energy: 1.7087037379776415
Energy: 1.563051002720119
Energy: 1.5795956163898968
Energy: 1.685415544412686
Energy: 1.5795956163898968
Energy: 1.6921736417288533
Energy: 1.7225829350567923
Energy: 1.686482937307908
Energy: 1.7225829350567923
Energy: 1.724878286032752
Energy: 1.7824292629152116
Energy: 1.7866677234269257
Energy: 1.7824292629152116

minimum gb energy = 1.5611426199957612 eV
minimum distance =  2.22587982683812 Angstroms
sigma value = 53


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

Energy: 2.254550107588895
Energy: 1.413555892152221
Energy: 1.645791630569
Energy: 1.6436743902678999
Energy: 2.0007583350865255
Energy: 1.4829502520455384
Energy: 1.6812365900927217
Energy: 1.4829502520455384
Energy: 1.6449315987966073
Energy: 1.6447594138769408
Energy: 1.8170696018589034
Energy: 1.6447594138769408
Energy: 1.6838214029876226
Energy: 1.483836932485772
Energy: 1.7148838964034916
Energy: 1.483836932485772
Energy: 1.733076293928792
Energy: 1.4831739678625258
Energy: 1.384622515703989
Energy: 1.4831739678625258
Energy: 1.714132566380356
Energy: 1.4860502724490723
Energy: 1.3848913369339304
Energy: 1.4860502724490723
Energy: 2.0190281013089977
Energy: 1.6792722586466093
Energy: 1.6808968924311627
Energy: 1.6792722586445656
Energy: 2.0206347696680047
Energy: 1.6803155491536867
Energy: 1.6787265064101202
Energy: 1.6803155491536867
Energy: 1.6438118005896825
Energy: 1.645050975126182
Energy: 1.7265035366014532
Energy: 1.6450509751241382
Energy: 1.6791791330964578
Energy: 1.4859893971758118
Energy: 1.716839751804959
Energy: 1.4859893971778555
Energy: 1.733154838814026
Energy: 1.4851009728878461
Energy: 1.3848335690715312
Energy: 1.4851009728878461
Energy: 1.7160562129518762
Energy: 1.4828857630282677
Energy: 1.388620441606723
Energy: 1.4828857630282677
Energy: 2.0191518114608
Energy: 1.6801266977089422
Energy: 1.677757512509395
Energy: 1.6801266977089422

minimum gb energy = 1.384622515703989 eV
minimum distance =  2.24943360529318 Angstroms
sigma value = 9


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

Energy: 2.1628870658626145
Energy: 1.8260709181468995
Energy: 1.8668570409211658
Energy: 1.8630730710503143
Energy: 1.7969649692523484
Energy: 1.5319683503270165
Energy: 1.9037616251127332
Energy: 1.5319683503277728
Energy: 1.5338631364224167
Energy: 1.5321814214445841
Energy: 1.931740038063586
Energy: 1.5321814214453409
Energy: 1.5329744139082726
Energy: 1.5326999123828942
Energy: 2.044530571348414
Energy: 1.5326999123836507
Energy: 1.5346422609595716
Energy: 1.5301968323936515
Energy: 2.0519513294993907
Energy: 1.5301968323921382
Energy: 1.588674645902586
Energy: 1.531252347571173
Energy: 2.012518370556206
Energy: 1.5312523475704165
Energy: 2.0816591683183807
Energy: 1.8523712669565413
Energy: 1.883624983802241
Energy: 1.8523712669572978
Energy: 2.015078797700974
Energy: 1.8708368398158506
Energy: 1.8664777995714044
Energy: 1.8708368398158506
Energy: 1.6850303343204747
Energy: 1.7403108431923549
Energy: 1.6603645609132913
Energy: 1.7403108431915986
Energy: 1.519915667058989
Energy: 1.6944198588541215
Energy: 1.926704917839797
Energy: 1.6944198588541215
Energy: 1.6388227992381663
Energy: 1.6417531229339435
Energy: 1.7769945381569794
Energy: 1.6417531229339435
Energy: 1.6670563917100412
Energy: 1.673801560073918
Energy: 2.045557737770082
Energy: 1.673801560073918
Energy: 1.9156797324255068
Energy: 1.6406901276769996
Energy: 1.6639261946522022
Energy: 1.6406901276785124
Energy: 1.9126361195236015
Energy: 1.6400325300676377
Energy: 1.6619779491678295
Energy: 1.6400325300683942
Energy: 1.9115003757714917
Energy: 1.6934526397324867
Energy: 1.651826792301264
Energy: 1.6934526397324867
Energy: 1.7981513972721044
Energy: 1.733619116549167
Energy: 1.6660504848287838
Energy: 1.733619116549167
Energy: 1.8756640396369078
Energy: 1.736464482722612
Energy: 1.6833609470216193
Energy: 1.736464482721099
Energy: 1.8657699910768655
Energy: 1.8628503828576628
Energy: 2.163961232149125
Energy: 1.8628503828576628
Energy: 2.0497671387228347
Energy: 1.5306182257281233
Energy: 1.796697094803846
Energy: 1.5306182257296364
Energy: 1.9927516118452562
Energy: 1.5316661626755572
Energy: 1.5336492628807146
Energy: 1.5316661626755572
Energy: 2.0458896664498543
Energy: 1.5322008104678384
Energy: 1.5330050192269782
Energy: 1.5322008104663256
Energy: 2.049565254012771
Energy: 1.5297498396248037
Energy: 1.5316351535172323
Energy: 1.5297498396248037
Energy: 2.051320425731461
Energy: 1.5311896942861016
Energy: 1.5891267770651725
Energy: 1.5311896942861016
Energy: 1.8968821433257406
Energy: 1.8669440110525821
Energy: 2.0807177651048137
Energy: 1.8669440110533386
Energy: 1.867522978320135
Energy: 1.8694418765558347
Energy: 2.080094319877509
Energy: 1.8694418765558347
Energy: 1.6616289572343634
Energy: 1.7383568273394645
Energy: 1.677577832606178
Energy: 1.7383568273356822
Energy: 1.7455990895338866
Energy: 1.693966391247984
Energy: 1.518866477458234
Energy: 1.6939663912464713
Energy: 1.8784980829018234
Energy: 1.641790049386471
Energy: 1.6402151577919646
Energy: 1.6417900493857145
Energy: 2.063300584089601
Energy: 1.6665032339107029
Energy: 1.662905552447527
Energy: 1.6665032339107029
Energy: 1.7951056673423127
Energy: 1.6420387732793889
Energy: 1.916800484803106
Energy: 1.6420387732793889
Energy: 1.6638011518397262
Energy: 1.6406098202274306
Energy: 1.9275934500599767
Energy: 1.6406098202266743
Energy: 1.641489288545564
Energy: 1.6947219232790642
Energy: 1.9145478047086018
Energy: 1.6947219233017579
Energy: 1.6669725971666676
Energy: 1.7320171332787064
Energy: 1.7969477793543296
Energy: 1.73201713327795
Energy: 1.6800635617056112
Energy: 1.7356092931922502
Energy: 1.74926306788311
Energy: 1.7356092931922502
Energy: 2.0599666161562724
Energy: 1.862972393720908
Energy: 1.865795402682569
Energy: 1.862972393720908

minimum gb energy = 1.518866477458234 eV
minimum distance =  2.2114498199377 Angstroms
sigma value = 73


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

Energy: 2.2661308894343968
Energy: 1.7086783918371693
Energy: 1.8192047423056295
Energy: 1.7766651212437476
Energy: 1.6827941174838765
Energy: 1.5722281081266591
Energy: 1.8512942560266494
Energy: 1.5722281081266591
Energy: 1.5725474537752295
Energy: 1.5730172862603196
Energy: 1.8844466891136245
Energy: 1.5730172862603196
Energy: 1.5721780388953053
Energy: 1.5791372371436951
Energy: 2.019207985284504
Energy: 1.5791372371436951
Energy: 1.5766340776844512
Energy: 1.5757892442691257
Energy: 2.0111428829131066
Energy: 1.5757892442679255
Energy: 1.6956337704551923
Energy: 1.5755490875107094
Energy: 1.9849652742895234
Energy: 1.5755490875119098
Energy: 1.8625507452441015
Energy: 1.833210308642236
Energy: 1.8795430674857112
Energy: 1.8332103086434364
Energy: 1.7423603698111194
Energy: 1.8316029196990717
Energy: 1.8460776897783961
Energy: 1.831602919700272
Energy: 1.7002545709304777
Energy: 1.7580918874883973
Energy: 1.8827226282688925
Energy: 1.758091887479996
Energy: 1.6585703291180613
Energy: 1.7781390190698108
Energy: 1.9199641464704014
Energy: 1.7781390190686106
Energy: 1.701604191974236
Energy: 1.5609371734706736
Energy: 1.5606872933718934
Energy: 1.5609371734706736
Energy: 1.6509066185458017
Energy: 1.6515488029439214
Energy: 1.9695357808369907
Energy: 1.6515488029439214
Energy: 1.8708173507450332
Energy: 1.6603295106841538
Energy: 1.7565538736091766
Energy: 1.6603295106841538
Energy: 1.8726572258709269
Energy: 1.685676268386625
Energy: 1.6741998587424367
Energy: 1.685676268386625
Energy: 1.8915383460291293
Energy: 1.6729327872895783
Energy: 1.6323185500943174
Energy: 1.67293278723557
Energy: 2.011917689331687
Energy: 1.6279352433544838
Energy: 1.6580647558658275
Energy: 1.6279352433532837
Energy: 1.9843808525481859
Energy: 1.6293483260281156
Energy: 1.6794215827920727
Energy: 1.6293483260269155
Energy: 1.8050778227634752
Energy: 1.8041539544591285
Energy: 1.7386103337362364
Energy: 1.8041539544603287
Energy: 1.781113635321172
Energy: 1.6810973919086347
Energy: 1.821842187732162
Energy: 1.6810973919086347
Energy: 1.8124154412192264
Energy: 1.6671106196397263
Energy: 1.6724964756925158
Energy: 1.6671106196409264
Energy: 1.8081188652314089
Energy: 1.7910316660693024
Energy: 1.6533432741987821
Energy: 1.7910316660693024
Energy: 2.009713350396553
Energy: 1.7745906231410795
Energy: 1.784206323310456
Energy: 1.7745906231422794

minimum gb energy = 1.5606872933718934 eV
minimum distance =  2.21914002789308 Angstroms
sigma value = 7


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

Energy: 2.583654998993042
Energy: 1.7173715811178472
Energy: 1.843361803670885
Energy: 1.7954310310187869
Energy: 1.5616315883365326
Energy: 1.6541683661986217
Energy: 1.9462055415258046
Energy: 1.6541683661994706
Energy: 1.5688599984048845
Energy: 1.5675277119104427
Energy: 1.7346450138161553
Energy: 1.5675277119087452
Energy: 1.5682954947879144
Energy: 1.5692239720305199
Energy: 1.9362670155409256
Energy: 1.5692239720313685
Energy: 1.6008263389168627
Energy: 1.5980360996271947
Energy: 1.8946222403668853
Energy: 1.5980360996263463
Energy: 1.6377563474748593
Energy: 1.5983638362596537
Energy: 1.8958644991160725
Energy: 1.5983638362596537
Energy: 1.9573441576935395
Energy: 1.5987993281703101
Energy: 1.5989186852470774
Energy: 1.5987993281703101
Energy: 2.0133765069414404
Energy: 1.5988664385737061
Energy: 1.5960330121293347
Energy: 1.5988664385728577
Energy: 1.9545426525486362
Energy: 1.5681438603316755
Energy: 1.5675709825585855
Energy: 1.5681438603350701
Energy: 1.9178078016802385
Energy: 1.5687864486422278
Energy: 1.5682321432589985
Energy: 1.5687864486439254
Energy: 1.9462189884910879
Energy: 1.771951756453211
Energy: 1.7989279793245487
Energy: 1.7719517564515135
Energy: 1.819569060628013
Energy: 1.7874118225412254
Energy: 1.9834763422572323
Energy: 1.7874118225437716
Energy: 1.7737531340954356
Energy: 1.6513931298653295
Energy: 1.7713292385309616
Energy: 1.6513931298644808
Energy: 1.7365472021826585
Energy: 1.6497233539799907
Energy: 1.5677803120202174
Energy: 1.6497233539799907
Energy: 1.7708874669944643
Energy: 1.65086156166822
Energy: 1.6143932924501503
Energy: 1.65086156166822
Energy: 1.9858323881569493
Energy: 1.7698418543843608
Energy: 1.8199690971554634
Energy: 1.7698418543835122
Energy: 1.9863190620331104
Energy: 1.766842003042468
Energy: 1.9610814161271037
Energy: 1.7668420030416192
Energy: 1.6170605356436634
Energy: 1.5698546149320276
Energy: 1.7483736804958636
Energy: 1.5698546149294816
Energy: 1.5656758862114106
Energy: 1.5680374152209018
Energy: 1.9459963469447132
Energy: 1.5680374152200534
Energy: 1.5979504460020775
Energy: 1.5978069178993437
Energy: 1.98333070057734
Energy: 1.5978069178993437
Energy: 1.5983079655185093
Energy: 1.598154082421841
Energy: 1.8939201326644082
Energy: 1.5981540824192946
Energy: 1.953307445542854
Energy: 1.5991939073077293
Energy: 1.5984549647671376
Energy: 1.5991939073068806
Energy: 1.9552410906017386
Energy: 1.5987832347854374
Energy: 1.6008843655187759
Energy: 1.598783234786286
Energy: 1.9203615054434073
Energy: 1.5690927981276062
Energy: 1.5667464167256029
Energy: 1.5690927981267575
Energy: 1.9002312281593592
Energy: 1.5683649818124012
Energy: 1.5669669627339586
Energy: 1.5683649818132501
Energy: 1.899435718646882
Energy: 1.567111250472886
Energy: 1.6221625820373442
Energy: 1.567111250475432
Energy: 1.823891039888438
Energy: 1.7945903637991116
Energy: 2.2539610019290555
Energy: 1.794590363796566
Energy: 1.7687195082964138
Energy: 1.680656037449935
Energy: 1.768583742385315
Energy: 1.6806560374507837
Energy: 1.737102396190483
Energy: 1.651571665624483
Energy: 1.747922174831851
Energy: 1.6515716656253319
Energy: 1.7795264708756589
Energy: 1.7729088037676688
Energy: 1.573587401633664
Energy: 1.7729088037668201
Energy: 1.9920003967702746
Energy: 1.7688547232724765
Energy: 1.7872965355385613
Energy: 1.7688547232690819

minimum gb energy = 1.5616315883365326 eV
minimum distance =  2.22361055369273 Angstroms
sigma value = 29


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

Energy: 1.4429877992474522
Energy: 1.6589963851353993
Energy: 1.6105638150341357
Energy: 1.6973284964929656
Energy: 1.5962549036761018
Energy: 1.597626103647717
Energy: 1.616587796033723
Energy: 1.5976261036474215
Energy: 1.6656640305700565
Energy: 1.5331936741848404
Energy: 1.5216295822748742
Energy: 1.533193674184578
Energy: 1.5350550080984886
Energy: 1.4696062904135367
Energy: 1.6141431203465426
Energy: 1.4696062904135367
Energy: 1.5299937370688022
Energy: 1.5355003263029312
Energy: 1.4444136485182042
Energy: 1.5355003263029312
Energy: 1.6131601251464731
Energy: 1.6392854003830932
Energy: 1.4444638823634772
Energy: 1.6392854003830932
Energy: 1.4546040263506734
Energy: 1.6423478663086766
Energy: 1.6665541903101777
Energy: 1.6423478663089723
Energy: 1.615228154750999
Energy: 1.6014914304634864
Energy: 1.598085016083994
Energy: 1.6014914305039196
Energy: 1.596060843566584
Energy: 1.469336216933447
Energy: 1.526302486436006
Energy: 1.469336216934334

minimum gb energy = 1.4429877992474522 eV
minimum distance =  2.24496071149954 Angstroms
sigma value = 5


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

Energy: 1.9638428104019756
Energy: 1.4790680089102475
Energy: 1.720394487136292
Energy: 1.7184210312404986
Energy: 1.754801534578636
Energy: 1.4812266824743545
Energy: 1.7730039750099864
Energy: 1.481226682473553
Energy: 1.7131184837419924
Energy: 1.5827541978940738
Energy: 1.7079994306976132
Energy: 1.5827541978940738
Energy: 1.5035013690160899
Energy: 1.4789804562393456
Energy: 1.8509656683168767
Energy: 1.4789804562377422
Energy: 1.6418315320020311
Energy: 1.5417207494178002
Energy: 1.7069550360744938
Energy: 1.5417207494178002
Energy: 1.571824568068242
Energy: 1.5675411713005192
Energy: 1.7085839861249787
Energy: 1.567541171301321
Energy: 1.4804530283611823
Energy: 1.4793694650230993
Energy: 1.8495046441129395
Energy: 1.4793694650230993
Energy: 1.5105535160125874
Energy: 1.4822120963394954
Energy: 1.9085574228205804
Energy: 1.4822120963394954
Energy: 1.7771457135034165
Energy: 1.4621959538515803
Energy: 1.9063306837857832
Energy: 1.462195953850779
Energy: 1.7322816525569371
Energy: 1.4601013302698558
Energy: 1.4810907314274464
Energy: 1.4601013302698558
Energy: 1.7729017463675505
Energy: 1.4585431131498305
Energy: 1.4841483995256677
Energy: 1.4585431131498305
Energy: 1.8982009904697623
Energy: 1.4725810758717255
Energy: 1.4722969054258053
Energy: 1.472581075872527
Energy: 1.9042392779061659
Energy: 1.4592879846914943
Energy: 1.843448733398876
Energy: 1.4592879846914943
Energy: 1.750438576199262
Energy: 1.5301572934691006
Energy: 1.7046545424504072
Energy: 1.5301572934691006
Energy: 1.4812955888445256
Energy: 1.4816875787230988
Energy: 1.7087183147577374
Energy: 1.4816875787230988
Energy: 1.566999867309755
Energy: 1.4822506185672468
Energy: 1.765323906054767
Energy: 1.4822506185672468
Energy: 1.7185025440622212
Energy: 1.4807773512858602
Energy: 1.5004171618100393
Energy: 1.4807773512858602
Energy: 1.7458941521415794
Energy: 1.482183361215392
Energy: 1.7607132953962858
Energy: 1.482183361215392
Energy: 1.7214657856825042
Energy: 1.5843855550558836
Energy: 1.715869020621005
Energy: 1.584385555055082
Energy: 1.781473682050165
Energy: 1.4787118287689565
Energy: 1.4993126747610723
Energy: 1.4787118287689565
Energy: 1.706340536055868
Energy: 1.5027044704240944
Energy: 1.7441270376892288
Energy: 1.5027044704240944
Energy: 1.7060114636057182
Energy: 1.541843471738403
Energy: 1.4983316784166658
Energy: 1.541843471738403
Energy: 1.8184762430801291
Energy: 1.4801294559362868
Energy: 1.48355451092762
Energy: 1.480129455935485
Energy: 1.906424467095152
Energy: 1.4816275391817886
Energy: 1.5062666667500577
Energy: 1.4816275391817886
Energy: 1.8982656498283763
Energy: 1.4625333136421885
Energy: 1.7730916905190788
Energy: 1.46253331364299
Energy: 1.482416801385916
Energy: 1.4610006363483699
Energy: 1.7320210630555832
Energy: 1.4610006363483699
Energy: 1.4858059436159137
Energy: 1.4587956508789206
Energy: 1.776610286392315
Energy: 1.4587956508797222
Energy: 1.4836047012003213
Energy: 1.4740728205764753
Energy: 1.6486371267276936
Energy: 1.4740728205764753
Energy: 1.4746528650486244
Energy: 1.4598006268772317
Energy: 1.9369579588272952
Energy: 1.4598006268780332
Energy: 1.706200015447996
Energy: 1.7064183625514164
Energy: 1.7506832731155868
Energy: 1.7064183625514164
Energy: 1.7070943403808607
Energy: 1.4816933792828633
Energy: 1.4863228413464136
Energy: 1.4816933792820617
Energy: 1.764897911612584
Energy: 1.4815483236016203
Energy: 1.4861278784705978
Energy: 1.4815483236016203
Energy: 1.505018395861125
Energy: 1.4804707678075264
Energy: 1.4799330384491032
Energy: 1.4804707678083282

minimum gb energy = 1.4585431131498305 eV
minimum distance =  2.19855099897183 Angstroms
sigma value = 1


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

Energy: 2.0905710118865097
Energy: 1.4189290012611422
Energy: 1.6976452707881469
Energy: 1.6966580071852133
Energy: 1.8171979794591753
Energy: 1.4228321160767952
Energy: 1.6729387020683355
Energy: 1.4228321160779034
Energy: 1.6730933140999487
Energy: 1.5549127136440113
Energy: 1.7128652654395504
Energy: 1.5549127136440113
Energy: 1.4430525483719279
Energy: 1.4211707234949427
Energy: 1.8964584696095015
Energy: 1.4211707234960511
Energy: 1.6468619826632993
Energy: 1.4844508110718813
Energy: 1.7157482944463942
Energy: 1.4844508110729895
Energy: 1.4207913927252753
Energy: 1.4835894363737554
Energy: 1.8930192578220972
Energy: 1.4835894363737554
Energy: 1.4203130389133298
Energy: 1.4201105450251694
Energy: 1.8949641037404739
Energy: 1.4201105450251694
Energy: 1.4219480342746869
Energy: 1.4240015847307275
Energy: 1.9597119168977215
Energy: 1.4240015847285106
Energy: 1.837726326395987
Energy: 1.506837560244295
Energy: 1.912294635571194
Energy: 1.5068375602431865
Energy: 1.744332486262021
Energy: 1.4247950971836207
Energy: 1.4225300344599632
Energy: 1.4247950971858376
Energy: 1.8369588796393306
Energy: 1.4207207343118375
Energy: 1.4196272848387272
Energy: 1.4207207343118375
Energy: 1.9584587099541084
Energy: 1.4398131292645973
Energy: 1.4229455930269646
Energy: 1.4398131292679226
Energy: 2.0041666026521656
Energy: 1.422032621469436
Energy: 1.4354511482442847
Energy: 1.4220326214672194
Energy: 1.8357572716028332
Energy: 1.4211778992480253
Energy: 1.712633103950016
Energy: 1.4211778992480253
Energy: 1.4411594320733627
Energy: 1.5532576578879058
Energy: 1.7163629777631995
Energy: 1.5532576578901225
Energy: 1.440976999768786
Energy: 1.4219440333233595
Energy: 1.8381457610868996
Energy: 1.421944033322251
Energy: 1.697731014353825
Energy: 1.422822675335897
Energy: 1.743821279213611
Energy: 1.4228226753336801
Energy: 1.4527572085835823
Energy: 1.4250534151609784
Energy: 1.8936715302565763
Energy: 1.4250534151598704
Energy: 1.4407037626097015
Energy: 1.4219678580306274
Energy: 1.9109047959609236
Energy: 1.421967858031736
Energy: 1.4837495559826914
Energy: 1.4946467254840774
Energy: 2.0483850365107195
Energy: 1.4946467254851858
Energy: 1.711148856853982
Energy: 1.4956948913256831
Energy: 1.8379889043337492
Energy: 1.4956948913245744
Energy: 1.7454389628424183
Energy: 1.422548207641871
Energy: 1.4230622067092515
Energy: 1.422548207644088
Energy: 1.836233999012456
Energy: 1.4207844819064526
Energy: 1.4223525372298087
Energy: 1.4207844819042357
Energy: 2.041385080725306
Energy: 1.421756182128149
Energy: 1.42152358450223
Energy: 1.421756182128149

minimum gb energy = 1.4189290012611422 eV
minimum distance =  2.20671083874092 Angstroms
sigma value = 17


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

Energy: 2.2241448188221957
Energy: 1.407275957064776
Energy: 1.7112842295252753
Energy: 1.7045009155567585
Energy: 1.4152068343833235
Energy: 1.4041033044344928
Energy: 1.593404602856496
Energy: 1.4041033044310678
Energy: 1.7709362522161323
Energy: 1.6593093653026212
Energy: 1.5966709741778349
Energy: 1.6593093653019362
Energy: 1.7731544023389578
Energy: 1.4736119323122587
Energy: 1.6328413875639247
Energy: 1.4736119323108883
Energy: 1.8131068532583974
Energy: 1.3862062273444469
Energy: 1.9343352450224447
Energy: 1.3862062273465021
Energy: 1.3869914849216376
Energy: 1.385335820012537
Energy: 1.896461543377073
Energy: 1.3853358200118517
Energy: 1.3875851199289557
Energy: 1.385081407044994
Energy: 1.6999013864584367
Energy: 1.3850814070456794
Energy: 1.3968681043729738
Energy: 1.3874141584716793
Energy: 2.1584848939191232
Energy: 1.387414158470994
Energy: 1.8178221115089264
Energy: 1.3883148172152597
Energy: 1.7488725233332318
Energy: 1.388314817215945
Energy: 1.6014518381523886
Energy: 1.6581984108426961
Energy: 1.6005836193275893
Energy: 1.6581984108426961
Energy: 1.8954445606827361
Energy: 1.4009412963050325
Energy: 1.4130305667724157
Energy: 1.4009412963050325
Energy: 1.9891040477474566
Energy: 1.404558864762558
Energy: 1.594869189410944
Energy: 1.404558864761188
Energy: 2.27553299291699
Energy: 1.4013909204513475
Energy: 1.4025144798552316
Energy: 1.4013909204513475
Energy: 1.9373784404390404
Energy: 1.4011936241079224
Energy: 1.4046638086833245
Energy: 1.4011936241072371
Energy: 1.768018822101415
Energy: 1.4036343161842266
Energy: 1.4103386283415509
Energy: 1.4036343161835416
Energy: 2.0423803675121643
Energy: 1.4538727378369334
Energy: 1.9423276115030483
Energy: 1.4538727378376186
Energy: 1.4482898752546909
Energy: 1.4035299969627724
Energy: 1.9764140340670162
Energy: 1.4035299969627724
Energy: 1.4141497170976003
Energy: 1.4013410098431014
Energy: 1.8536538650379972
Energy: 1.4013410098437864
Energy: 1.4719889351632576
Energy: 1.402729561611007
Energy: 1.9409252068454579
Energy: 1.402729561611007
Energy: 1.7164494822991552
Energy: 1.4023255370986507
Energy: 2.1609326529007427
Energy: 1.4023255370986507
Energy: 1.5984322555943724
Energy: 1.4033512602391827
Energy: 1.711795147740032
Energy: 1.4033512602398681
Energy: 1.5984004029929704
Energy: 1.6599946091467817
Energy: 1.7677850917422417
Energy: 1.6599946091481521
Energy: 1.9267851741349733
Energy: 1.473284770149401
Energy: 1.769328970071328
Energy: 1.4732847701548821
Energy: 1.9382290061986682
Energy: 1.386857737099716
Energy: 1.5537296675715584
Energy: 1.3868577371004014
Energy: 1.8933153832901242
Energy: 1.4089937195499878
Energy: 1.3856931033132311
Energy: 1.4089937195499878
Energy: 1.6971008707619821
Energy: 1.3860660109813028
Energy: 1.3917274181422308
Energy: 1.386066010981988
Energy: 2.1640500873020323
Energy: 1.3875510209741153
Energy: 1.386185402529205
Energy: 1.3875510209734305
Energy: 1.935361939587558
Energy: 1.3869288102391688
Energy: 1.8217338200072544
Energy: 1.386928810240539
Energy: 1.59495345202938
Energy: 1.6576924233368462
Energy: 1.602029491243377
Energy: 1.6576924233375312
Energy: 1.4150613360529822
Energy: 1.400681803421727
Energy: 1.8997640712653976
Energy: 1.4006818034210418
Energy: 1.547144004404896
Energy: 1.4475952886879169
Energy: 1.8945995726049323
Energy: 1.4475952886913421
Energy: 1.4012327875351254
Energy: 1.4486309666947093
Energy: 2.027091362424574
Energy: 1.4486309666953945
Energy: 1.4012985105624634
Energy: 1.400452306411648
Energy: 1.9821872740547026
Energy: 1.4004523064109633
Energy: 1.4194768214512676
Energy: 1.4039733792149383
Energy: 1.786700327058858
Energy: 1.4039733792142532
Energy: 1.9465773975017846
Energy: 1.4518148203638914
Energy: 2.0016453152564053
Energy: 1.4518148203632064
Energy: 2.017727471721056
Energy: 1.4044162450948732
Energy: 1.4484649499838633
Energy: 1.4044162450948732
Energy: 1.9452509518245937
Energy: 1.400875647053591
Energy: 1.4016700107570044
Energy: 1.400875647053591
Energy: 1.7481482058657367
Energy: 1.433297963159715
Energy: 1.4038861186371572
Energy: 1.433297963159715

minimum gb energy = 1.385081407044994 eV
minimum distance =  2.20472111772617 Angstroms
sigma value = 89


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

Energy: 2.3462679443428884
Energy: 1.3622017663335275
Energy: 1.6325154392284669
Energy: 1.6327246416995194
Energy: 2.027105225429038
Energy: 1.278952923413141
Energy: 1.65469360745273
Energy: 1.278952923413141
Energy: 1.2673742389552176
Energy: 1.3974643795611614
Energy: 1.6798628300395169
Energy: 1.3974643795611614
Energy: 1.271824913880481
Energy: 1.3974929437756325
Energy: 1.6544325428570466
Energy: 1.3974929437756325
Energy: 1.2788336299766898
Energy: 1.3775567245522577
Energy: 1.7512205886696515
Energy: 1.3775567245522577
Energy: 1.28028430130772
Energy: 1.278114399000063
Energy: 1.670892541660525
Energy: 1.2781143990018553
Energy: 1.2780699983440564
Energy: 1.2771679427297975
Energy: 1.6782592079200904
Energy: 1.2771679427297975
Energy: 1.2781860633486237
Energy: 1.2801904321418922
Energy: 2.0267937753521497
Energy: 1.2801904321418922
Energy: 1.6548802149641262
Energy: 1.277911730857952
Energy: 2.026756913268007
Energy: 1.277911730857952
Energy: 1.6787522330472395
Energy: 1.3983513089069806
Energy: 1.6811105831608757
Energy: 1.3983513089069806
Energy: 1.6536708020861894
Energy: 1.395758679825995
Energy: 1.2665013696722116
Energy: 1.395758679825995
Energy: 1.7534978340964937
Energy: 1.3785428392402235
Energy: 1.6541753680138964
Energy: 1.3785428392402235
Energy: 1.7505163615105193
Energy: 1.2793007533978178
Energy: 1.279551965943569
Energy: 1.2793007533978178
Energy: 2.0302119135328915
Energy: 1.2765315412087113
Energy: 1.2762199023371563
Energy: 1.2765315412087113
Energy: 2.0272673853517498
Energy: 1.278831966197816
Energy: 1.2784920449528099
Energy: 1.278831966197816

minimum gb energy = 1.2665013696722116 eV
minimum distance =  2.22679066416143 Angstroms
sigma value = 13


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

Energy: 2.082876243462135
Energy: 1.2593702008836025
Energy: 1.6196825273804507
Energy: 1.6154837480786155
Energy: 2.0830802597188676
Energy: 1.2282098972598428
Energy: 1.4530319475432056
Energy: 1.228209897260594
Energy: 1.9479044345664411
Energy: 1.2244472277767198
Energy: 1.4251365332453765
Energy: 1.224447227778974
Energy: 1.6089844471113908
Energy: 1.2268791849107021
Energy: 1.4527803747150878
Energy: 1.2268791849122047
Energy: 1.7926824880010783
Energy: 1.3056023448347307
Energy: 1.7955770535008866
Energy: 1.305602344835482
Energy: 1.4288255624911856
Energy: 1.2273470286351644
Energy: 1.79239011958695
Energy: 1.227347028636667
Energy: 1.426763131265039
Energy: 1.2255911301400038
Energy: 2.11466232010465
Energy: 1.2255911301385012
Energy: 1.251282193102414
Energy: 1.2272291386149596
Energy: 2.146129552638796
Energy: 1.2272291386164624
Energy: 1.2578200379071256
Energy: 1.254248680734698
Energy: 2.06177604631656
Energy: 1.2542486807354492
Energy: 1.231675404754943
Energy: 1.225936861529225
Energy: 2.117945465881359
Energy: 1.225936861529225
Energy: 1.225739384959439
Energy: 1.2299271250556318
Energy: 2.082301391666521
Energy: 1.2299271250556318
Energy: 1.7782874779918458
Energy: 1.226403969035761
Energy: 2.117009185953271
Energy: 1.226403969035761
Energy: 1.798349663778266
Energy: 1.295020819298341
Energy: 1.7774492788717524
Energy: 1.2950208192960868
Energy: 1.7957205241466345
Energy: 1.2952016153005603
Energy: 1.609903563918264
Energy: 1.2952016153035655
Energy: 2.119209779445703
Energy: 1.22882989043427
Energy: 1.660814244532276
Energy: 1.228829890432016
Energy: 2.064614638684664
Energy: 1.2272625103789268
Energy: 1.2317879099529705
Energy: 1.2272625103781751
Energy: 1.8603767876614672
Energy: 1.226604242451138
Energy: 1.2314891213371737
Energy: 1.2266042424518897
Energy: 2.014539055794928
Energy: 1.228010162702573
Energy: 1.225677505146043
Energy: 1.228010162704827
Energy: 2.1521428437827637
Energy: 1.2250478884484826
Energy: 1.4320405713686857
Energy: 1.225047888449234
Energy: 1.8232182233701018
Energy: 1.225734940255386
Energy: 1.4202067810084231
Energy: 1.225734940264402
Energy: 1.6278743809270784
Energy: 1.227817350199985
Energy: 1.4526323114345916
Energy: 1.2278173502135086
Energy: 1.8015413115714283
Energy: 1.3020799181439273
Energy: 1.7924337749524561
Energy: 1.3020799181424245
Energy: 1.4358445626242313
Energy: 1.2285997620774618
Energy: 1.794833673271929
Energy: 1.2285997620722025
Energy: 1.2292387111728638
Energy: 1.2239300390351266
Energy: 2.040068291545592
Energy: 1.2239300390313699
Energy: 1.4065911841952548
Energy: 1.227162907053461
Energy: 2.119014369762828
Energy: 1.2271629070602232
Energy: 1.2600063384343623
Energy: 1.225675070792828
Energy: 2.064367882874882
Energy: 1.2256750707950819
Energy: 1.2260601032505378
Energy: 1.2250575249825693
Energy: 2.1116680551798006
Energy: 1.2250575249833204
Energy: 1.2258925632793884
Energy: 1.2279937679680109
Energy: 2.014960991188551
Energy: 1.2279937679702648
Energy: 1.7498539673242273
Energy: 1.226166407546179
Energy: 2.1569486715348765
Energy: 1.2261664075446759
Energy: 1.4188805921650163
Energy: 1.2960087808586211
Energy: 1.780579482561295
Energy: 1.2960087808608067
Energy: 1.804882245950585
Energy: 1.300223481676826
Energy: 1.6290789273686297
Energy: 1.300223481676075
Energy: 2.04540145580666
Energy: 1.227282899870371
Energy: 1.7500430497737476
Energy: 1.227282899872625
Energy: 2.120745164038932
Energy: 1.2278960581948557
Energy: 1.2267312304748332
Energy: 1.227896058196358
Energy: 1.8613204549603701
Energy: 1.2248820376720229
Energy: 1.2262564854381501
Energy: 1.2248820376697687
Energy: 2.2682061552099184
Energy: 1.2268266929216454
Energy: 1.2342967794636954
Energy: 1.2268266929201428

minimum gb energy = 1.2239300390313699 eV
minimum distance =  2.21831341181855 Angstroms
sigma value = 37


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

Energy: 1.8208288942366102
Energy: 1.2086816672581295
Energy: 1.54736059183232
Energy: 1.548448598871299
Energy: 2.1608358509007597
Energy: 1.1241082438279562
Energy: 1.4412131262356067
Energy: 1.1241082438279562
Energy: 1.7544347396848832
Energy: 1.1229426210651867
Energy: 1.4561197823520187
Energy: 1.1229426210651867
Energy: 1.780380033452996
Energy: 1.2451481164495
Energy: 1.4524835440808186
Energy: 1.2451481164495
Energy: 1.7654753966634569
Energy: 1.2499270442755934
Energy: 1.4502257006688486
Energy: 1.2499270442755934
Energy: 1.453399484690874
Energy: 1.1229786158906114
Energy: 1.6670700405402412
Energy: 1.1229786158906114
Energy: 1.1170112234100131
Energy: 1.1229472786992343
Energy: 1.961622770822682
Energy: 1.1229472786979418
Energy: 1.5472262738602083
Energy: 1.1243923999663783
Energy: 1.981200765292074
Energy: 1.1243923999663783
Energy: 1.122838205061801
Energy: 1.1250193550646772
Energy: 1.9603109397519332
Energy: 1.1250193550646772
Energy: 1.1239277248211705
Energy: 1.124128630437583
Energy: 1.9646324689005727
Energy: 1.124128630437583
Energy: 1.5473345743807265
Energy: 1.548448598871299
Energy: 1.8208288942366102
Energy: 1.2084479741208847
Energy: 1.4412131262343144
Energy: 1.124108243829249
Energy: 2.160835850899467
Energy: 1.1241082438279562
Energy: 1.4561197823520187
Energy: 1.1229426210651867
Energy: 1.7544347396848832
Energy: 1.1229426210651867
Energy: 1.452483544079526
Energy: 1.2451481164495
Energy: 1.780380033452996
Energy: 1.2451481164495
Energy: 1.4502257006688486
Energy: 1.2499270442755934
Energy: 1.7654753966634569
Energy: 1.2499270442755934
Energy: 1.6670700405402412
Energy: 1.1229786158906114
Energy: 1.453399484690874
Energy: 1.1229786158906114
Energy: 1.961622770822682
Energy: 1.1229472786979418
Energy: 1.1170112234100131
Energy: 1.1229472786979418
Energy: 1.9812007652933372
Energy: 1.1243923999663783
Energy: 1.547251591749242
Energy: 1.1243923999663783
Energy: 1.9603109397519332
Energy: 1.1250193550633845
Energy: 1.1228382050605084
Energy: 1.1250193550633845
Energy: 2.0757146785933287
Energy: 1.124128630437583
Energy: 1.1239277248211705
Energy: 1.124128630437583

minimum gb energy = 1.1170112234100131 eV
minimum distance =  2.23351893668651 Angstroms
sigma value = 25


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

Energy: 2.1798944521467587
Energy: 1.0732713900277782
Energy: 1.459839715198618
Energy: 1.4639280223408229
Energy: 2.247515178860937
Energy: 1.0016045860885328
Energy: 1.2716103321400707
Energy: 1.0016045860885328
Energy: 1.8921787995980395
Energy: 1.0007777030440341
Energy: 1.2609222088622978
Energy: 1.0007777030440341
Energy: 1.5078346984347595
Energy: 1.0029745016526885
Energy: 1.2564917318415927
Energy: 1.002974501653698
Energy: 1.9047335514651569
Energy: 1.6031873653569648
Energy: 1.712676482689323
Energy: 1.6031873653569648
Energy: 1.5250027924766092
Energy: 1.1003359563511228
Energy: 1.7148319374247167
Energy: 1.1003359563531416
Energy: 1.5112238490460097
Energy: 1.6027425522662717
Energy: 1.9044718731062056
Energy: 1.6027425522662717
Energy: 1.2615849835098338
Energy: 1.0029979926495147
Energy: 1.709664787957482
Energy: 1.0029979926505241
Energy: 1.269171249293153
Energy: 1.0020923333721625
Energy: 2.0736479357236055
Energy: 1.0020923333721625
Energy: 1.2716485085425908
Energy: 1.001621603430287
Energy: 1.9074226800652527
Energy: 1.001621603430287
Energy: 1.461209124407384
Energy: 1.4643393934666868
Energy: 1.8573894082137328
Energy: 1.4643393934666868
Energy: 1.0083988623638562
Energy: 1.0013831794944723
Energy: 2.0706405365394267
Energy: 1.0013831794954817
Energy: 1.0038892825350172
Energy: 1.0014865769650414
Energy: 2.2411121587481713
Energy: 1.0014865769650414
Energy: 1.4595040144037659
Energy: 1.0057204029450442
Energy: 1.9022365606714213
Energy: 1.0057204029450442
Energy: 1.258488317925784
Energy: 1.0020837625658734
Energy: 1.9052553072384477
Energy: 1.0020837618142084
Energy: 1.2571926868951144
Energy: 1.0007578833660442
Energy: 1.8961036003441494
Energy: 1.000757883359988
Energy: 1.7072196009769804
Energy: 1.349507421364521
Energy: 1.891229356021148
Energy: 1.349507421364521
Energy: 1.2547270757272233
Energy: 1.6106953889800468
Energy: 1.7038739460269778
Energy: 1.6106953889800468
Energy: 1.7137044654733606
Energy: 1.6018932635159224
Energy: 1.5219742489690784
Energy: 1.6018932635159224
Energy: 2.0721330189245792
Energy: 1.3478270161046366
Energy: 1.5233520005817665
Energy: 1.3478270161046366
Energy: 1.858869807949372
Energy: 1.0025753529011878
Energy: 1.2616228526308626
Energy: 1.0025753529032067
Energy: 2.072960219101771
Energy: 1.2805714361651217
Energy: 1.0023411542407805
Energy: 1.2805714361590654
Energy: 2.071258678369719
Energy: 1.001520339506054
Energy: 1.2710516967056602
Energy: 1.001520339506054
Energy: 1.7636044839135931
Energy: 1.0055234705685285
Energy: 1.0009717370343048
Energy: 1.0055234705705476
Energy: 2.0715542150788178
Energy: 1.0003412170557908
Energy: 1.0020528721839954
Energy: 1.0003412170557908
Energy: 1.895217007453715
Energy: 1.0020670078746141
Energy: 1.0021868488543961
Energy: 1.0020670078746141

minimum gb energy = 1.0003412170557908 eV
minimum distance =  2.23766019169237 Angstroms
sigma value = 41


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

Energy: 2.030660176551775
Energy: 0.969712866937564
Energy: 1.391237540464581
Energy: 1.391173636973647
Energy: 2.141543268778095
Energy: 0.9097413537261572
Energy: 1.1353004691284279
Energy: 0.9097413537253296
Energy: 1.9913736886323754
Energy: 1.142672101387588
Energy: 1.1207657784158684
Energy: 1.142672101387588
Energy: 1.7443519344553111
Energy: 0.9085084990490344
Energy: 1.11463591124612
Energy: 0.908508499035794
Energy: 1.9976891819528237
Energy: 1.4382271092740153
Energy: 1.5163289578554136
Energy: 1.4382271092748427
Energy: 1.6677423110584368
Energy: 1.4487742644500576
Energy: 1.5113607933122575
Energy: 1.4487742644500576
Energy: 1.674377987977015
Energy: 1.5041511461225654
Energy: 1.8372235766930953
Energy: 1.5041511461225654
Energy: 1.5039984457041375
Energy: 1.2310710038572263
Energy: 1.5335366053027883
Energy: 1.2310710038572263
Energy: 1.338803137120202
Energy: 1.4428634080960234
Energy: 1.8310609032996001
Energy: 1.442863408095196
Energy: 1.3412201051360038
Energy: 1.2152039939576267
Energy: 2.143372832580024
Energy: 1.215203993958454
Energy: 1.1244400718436396
Energy: 0.9092877686141134
Energy: 1.8695566678649957
Energy: 0.9092877686157685
Energy: 1.1147834357945448
Energy: 1.1437673961901675
Energy: 2.142255650212754
Energy: 1.1437673961909949
Energy: 1.142109834338494
Energy: 0.9091572648811926
Energy: 2.1432928366649495
Energy: 0.9091572648811926
Energy: 0.9079947321593138
Energy: 0.9119116289745023
Energy: 1.8727000874556152
Energy: 0.9119116289745023
Energy: 0.911506743794237
Energy: 0.909028452183822
Energy: 1.9982325210942922
Energy: 0.9090284521821671
Energy: 0.9088104297035758
Energy: 0.9089909653483326
Energy: 1.994892784470935
Energy: 0.9089909653491601
Energy: 1.1189445649107792
Energy: 0.9103806670722542
Energy: 1.9878247847268578
Energy: 0.9103806670722542
Energy: 1.1146985042828501
Energy: 1.14327155224336
Energy: 1.9956946579028723
Energy: 1.14327155224336
Energy: 1.1155219767305296
Energy: 0.9077213786681557
Energy: 1.7062059803287646
Energy: 0.9077213786673282
Energy: 1.5065115087241814
Energy: 1.2163081505763016
Energy: 1.6694324895222423
Energy: 1.2163081505763016
Energy: 1.5384476298348908
Energy: 1.437802561803536
Energy: 1.8359059085023468
Energy: 1.437802561803536
Energy: 1.506914386196999
Energy: 1.232471094031245
Energy: 1.6772132229058518
Energy: 1.23247109402959
Energy: 1.8314538897262755
Energy: 1.4986958340777417
Energy: 1.6673643747914497
Energy: 1.4986958340777417
Energy: 1.5325911279497206
Energy: 1.2303745631222232
Energy: 1.502895622279874
Energy: 1.2303745631222232
Energy: 1.8387581415990872
Energy: 1.43766334557452
Energy: 1.321944780608544
Energy: 1.43766334557452
Energy: 1.834545102286132
Energy: 1.2164048525421234
Energy: 1.5025867047663466
Energy: 1.2164048525421234
Energy: 1.838280344421287
Energy: 1.2175499217172452
Energy: 1.1279908690177167
Energy: 1.2175499217180725
Energy: 1.9979448633212442
Energy: 1.144510463647746
Energy: 1.1132757803000508
Energy: 1.1445104636469186
Energy: 1.8366473103276302
Energy: 0.910251774191951
Energy: 1.120341496513847
Energy: 0.910251774191951
Energy: 1.8326161267798675
Energy: 0.9093182070791828
Energy: 0.9077140449898979
Energy: 0.9093182070783552
Energy: 2.141432363618828
Energy: 0.907790934660692
Energy: 0.9102564211002987
Energy: 0.907790934660692
Energy: 1.9872073730426971
Energy: 0.9116676103718854
Energy: 0.908315606444812
Energy: 0.9116676103718854

minimum gb energy = 0.9077140449898979 eV
minimum distance =  2.2409396688027 Angstroms
sigma value = 15


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

Energy: 1.8003577734176692
Energy: 0.8945599201050543
Energy: 1.3356431689416763
Energy: 1.332928517153115
Energy: 2.2009143527199395
Energy: 0.8365452992625434
Energy: 1.0332413192302816
Energy: 0.8365452992618425
Energy: 2.0606364099922065
Energy: 1.0389834294425686
Energy: 1.0178898102393037
Energy: 1.0389834294467748
Energy: 1.7923682931183247
Energy: 0.8349654957379966
Energy: 1.0085405120638902
Energy: 0.8349654957393986
Energy: 1.933351562405102
Energy: 1.3015726310332707
Energy: 1.3411668010563773
Energy: 1.3015726310325695
Energy: 1.778155945913047
Energy: 1.3783093300461338
Energy: 1.355370550876656
Energy: 1.378309330046835
Energy: 1.5167890246856501
Energy: 1.3896303822403817
Energy: 1.646493593396096
Energy: 1.3896303822410825
Energy: 1.6372221561824711
Energy: 1.3940112475179283
Energy: 1.3613013513844014
Energy: 1.3940112475172275
Energy: 1.4917436372332205
Energy: 1.3966578698186496
Energy: 1.6356913883482067
Energy: 1.3966578698186496
Energy: 1.4904496158864318
Energy: 1.383327752123413
Energy: 1.9179341191820236
Energy: 1.383327752123413
Energy: 1.3431157923568962
Energy: 1.1188602819674558
Energy: 1.6741257634531952
Energy: 1.1188602819632496
Energy: 1.183173202319769
Energy: 1.3013827342872517
Energy: 1.9185167626389041
Energy: 1.3013827342858497
Energy: 1.3460496674207505
Energy: 1.1068951331922001
Energy: 1.9184249755779963
Energy: 1.1068951331907981
Energy: 1.0198403012049024
Energy: 0.8354378078681756
Energy: 1.6658673521723835
Energy: 0.8354378078688766
Energy: 1.010774989672469
Energy: 1.0375527147513166
Energy: 2.064418395570684
Energy: 1.0375527147513166
Energy: 1.0312101016907143
Energy: 0.8363864322792027
Energy: 1.9237828572658537
Energy: 0.8363864322792027
Energy: 0.8355217258803329
Energy: 0.8375888567856873
Energy: 1.929322731683331
Energy: 0.8375888567891288
Energy: 0.8341629796254587
Energy: 0.8347721505871886
Energy: 2.0651114797292665
Energy: 0.8347721505878897
Energy: 0.8355654465431956
Energy: 0.8369922113259577
Energy: 1.7836040824396677
Energy: 0.8369922113245557
Energy: 1.0285003515004865
Energy: 0.8366096307603202
Energy: 2.0667398313345995
Energy: 0.8366096307603202
Energy: 1.0077744518977019
Energy: 1.0373909992995891
Energy: 2.0658735201920013
Energy: 1.0373910001775963
Energy: 1.009628973221401
Energy: 0.8350753600643093
Energy: 1.788402644380458
Energy: 0.8350753600629072
Energy: 1.3464703712382111
Energy: 1.107292472078383
Energy: 1.7759016517597006
Energy: 1.107292472078383
Energy: 1.3616114792014873
Energy: 1.3043079903494297
Energy: 1.921891522171771
Energy: 1.304307990350131
Energy: 1.3591336110650754
Energy: 1.1196552231837393
Energy: 1.5429664098646525
Energy: 1.1196552231858425
Energy: 1.6354629819556359
Energy: 1.3831278318107751
Energy: 1.9212039785238024
Energy: 1.3831278318107751
Energy: 1.3414341107894705
Energy: 1.390199820936082
Energy: 1.6394545078313847
Energy: 1.390199820936082
Energy: 1.651339295295899
Energy: 1.3949217048310785
Energy: 1.5429273356870437
Energy: 1.3949217048310785
Energy: 1.6398741505608034
Energy: 1.3874688084710798
Energy: 1.6394614500292808
Energy: 1.3874688084703788
Energy: 1.6350298313629499
Energy: 1.1406955822006923
Energy: 1.3440989101767185
Energy: 1.1406955821999913
Energy: 1.931721696732557
Energy: 1.301677306586797
Energy: 1.1834177589870798
Energy: 1.301677306588199
Energy: 1.6646666201643179
Energy: 1.1091298307603104
Energy: 1.2239441938274802
Energy: 1.1091298307603104
Energy: 1.9196990508230272
Energy: 0.8362055983267254
Energy: 1.0307815636790945
Energy: 0.8362055983274265
Energy: 2.072268223524588
Energy: 0.8361128399814469
Energy: 1.0318737163448901
Energy: 0.8361128399807459
Energy: 1.9177540073848216
Energy: 0.8426172770223167
Energy: 1.3340984280645827
Energy: 0.8426172770216156
Energy: 2.1905085872218133
Energy: 0.8372910865297851
Energy: 0.8420042610410213
Energy: 0.8372910865311872
Energy: 2.057891532258098
Energy: 0.836899233913813
Energy: 0.8430299296031966
Energy: 0.836899233913813

minimum gb energy = 0.8341629796254587 eV
minimum distance =  2.24191106397715 Angstroms
sigma value = 85


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

Energy: 1.9575746306362654
Energy: 0.8675971640580602
Energy: 1.2647261072886669
Energy: 1.2622565815285025
Energy: 2.149190555641245
Energy: 0.7581871218063398
Energy: 0.9180523636191139
Energy: 0.7581871218075559
Energy: 1.9048861029420383
Energy: 0.7589114621310956
Energy: 0.9086578231136506
Energy: 0.7589114621323116
Energy: 1.6486551180601037
Energy: 1.0051062466041607
Energy: 1.2216533916404757
Energy: 1.0051062466035527
Energy: 1.970276165430079
Energy: 1.171131105312914
Energy: 1.2004142149382666
Energy: 1.171131105313522
Energy: 1.6506979901372187
Energy: 1.2151636026085746
Energy: 1.2119508683995113
Energy: 1.2151636026079664
Energy: 1.6497029677369013
Energy: 1.2563971320259362
Energy: 1.4635306786890145
Energy: 1.2563971320247203
Energy: 1.7196253018696024
Energy: 1.2591071016521211
Energy: 1.2894779153315634
Energy: 1.2591071016521211
Energy: 1.6514540781681974
Energy: 1.2726080134312654
Energy: 1.4763096124479074
Energy: 1.2726080134318734
Energy: 1.6534013289937401
Energy: 1.2805565202074563
Energy: 1.718718101270273
Energy: 1.2805565202074563
Energy: 1.465650654947053
Energy: 1.2656855787275054
Energy: 1.5340314557154417
Energy: 1.2656855787268977
Energy: 1.4258968292380243
Energy: 1.255071602220588
Energy: 1.7203104746241367
Energy: 1.2550716022211958
Energy: 1.4654119623723798
Energy: 1.2519432602538887
Energy: 1.7786040311807154
Energy: 1.2519432602551046
Energy: 1.1998331794645543
Energy: 0.9108806246803879
Energy: 1.5324741458742006
Energy: 0.91088062467978
Energy: 1.1350795981320936
Energy: 1.160202437301715
Energy: 1.9689702349760365
Energy: 1.1602024373004989
Energy: 1.2022628373548832
Energy: 0.9126583642177646
Energy: 1.7796317034739102
Energy: 0.9126583642177646
Energy: 0.9066376187594557
Energy: 0.7575396042168764
Energy: 1.776688564231622
Energy: 0.7575396042168764
Energy: 0.9101893349232909
Energy: 0.8848186272400429
Energy: 2.0406663403495364
Energy: 0.884818627240651
Energy: 0.9062117104083441
Energy: 0.8843467331772394
Energy: 2.0256245404346758
Energy: 0.8843467331760234
Energy: 0.8318493103480072
Energy: 0.7561636591389401
Energy: 2.025415838422234
Energy: 0.7561636591377241
Energy: 0.8296789960013854
Energy: 0.8459199804507471
Energy: 2.088098127382614
Energy: 0.845919980449531
Energy: 0.8340839967561066
Energy: 0.7526028814043669
Energy: 1.83888203790865
Energy: 0.7526028814049748
Energy: 0.9927847774608456
Energy: 0.7559484511530333
Energy: 2.086137427850502
Energy: 0.7559484511530333
Energy: 0.9866273916383643
Energy: 0.7561013801601405
Energy: 2.0881820234473705
Energy: 0.7561013801607487
Energy: 0.9843249123377531
Energy: 0.7568947380454703
Energy: 1.648413920842963
Energy: 0.7568947380466864
Energy: 1.1965201354646784
Energy: 1.1227807785075408
Energy: 2.1455677095616825
Energy: 1.1227807785069328
Energy: 1.1949689839368427
Energy: 1.1358337733268395
Energy: 1.9049940307348006
Energy: 1.1358337733268395
Energy: 1.1955500661130647
Energy: 1.121602058836103
Energy: 1.6500651747598662
Energy: 1.121602058836103
Energy: 1.4642743629868047
Energy: 1.2457738504390439
Energy: 1.913677993283699
Energy: 1.2457738504384361
Energy: 1.4637349212661301
Energy: 1.2532323673996455
Energy: 1.6516940586444844
Energy: 1.2532323673990373
Energy: 1.6223061459033055
Energy: 1.2756929288327674
Energy: 1.4394193836411633
Energy: 1.2756929288315513
Energy: 1.5342750516938213
Energy: 1.2758056788984575
Energy: 1.6919665544365545
Energy: 1.275805678899066
Energy: 1.7201975600230395
Energy: 1.2696325325731854
Energy: 1.3960555525749478
Energy: 1.2696325325737934
Energy: 1.9699768414435903
Energy: 1.2544328480920641
Energy: 1.3972774889325266
Energy: 1.25443284809328
Energy: 1.5323195382449077
Energy: 1.0112518091225566
Energy: 1.2008201573026025
Energy: 1.0112518091219485
Energy: 1.9701105814947437
Energy: 1.0954154343710047
Energy: 1.2078646256370402
Energy: 1.0954154343728288
Energy: 2.029254687246284
Energy: 1.004041313312825
Energy: 1.2056958598004626
Energy: 1.0040413133134332
Energy: 1.777681547438818
Energy: 0.7581883183898792
Energy: 0.9149892142165408
Energy: 0.7581883183904874
Energy: 2.101798309433362
Energy: 0.8497854481551669
Energy: 0.9099615703106512
Energy: 0.8497854481551669
Energy: 2.025366015062945
Energy: 0.7588567560006805
Energy: 0.9176618189137211
Energy: 0.7588567560006805
Energy: 1.7755675980721
Energy: 0.7570449603392314
Energy: 0.757032417756639
Energy: 0.7570449603380154
Energy: 2.1498449276708884
Energy: 0.7574040051000713
Energy: 0.7583093031667866
Energy: 0.7574040050994634
Energy: 1.90184618611305
Energy: 0.7599288807545935
Energy: 0.759344578145183
Energy: 0.7599288807552015

minimum gb energy = 0.7526028814043669 eV
minimum distance =  2.23652479542795 Angstroms
sigma value = 113


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

Energy: 0.020466031114778887
Energy: 0.021392556701271583
Energy: 1.6094380803247845
Energy: 0.6835246067749973
Energy: 0.023564813790880993
Energy: 0.15719719763846568
Energy: 1.0859614410426905
Energy: 0.15719719763799828
Energy: 0.021414410307732126
Energy: 0.15533746522489553
Energy: 1.0847066456390004
Energy: 0.15533746522442812
Energy: 0.023225563324214896
Energy: 0.15518224170163072
Energy: 1.6128275855591814
Energy: 0.1551822417025136
Energy: 1.084699996183396
Energy: 0.1552303407260076
Energy: 1.0833686840613879
Energy: 0.1552303407260076
Energy: 0.021004748525114695
Energy: 0.1553308731522028
Energy: 1.0830567572957306
Energy: 0.15533087315267016

minimum gb energy = 0.020466031114778887 eV
minimum distance =  2.45880009715503 Angstroms
sigma value = 1