Model name: model_name=MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
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: 0.018089586729781098
Energy: 1.1671051263160612
Energy: 1.304716005319901
Energy: 0.13811509959198265
Energy: 1.1671051263160612
Energy: 1.4215427445461661
Energy: 0.13811509959198265
Energy: 1.4215427445467905
Energy: 1.3047160053192768
Energy: 0.13811509959198265
Energy: 0.018089586729781098
Energy: 0.01896215818113838
Energy: 0.13811509959198265
Energy: 1.4215427445461661
Energy: 0.018962158180514093
Energy: 1.4215427445467905

minimum gb energy = 0.018089586729781098 eV
minimum distance =  2.43468478311477 Angstroms
sigma value = 1


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

Energy: 2.212694227217601
Energy: 1.3195483718006977
Energy: 1.364345187756005
Energy: 1.3625870851472386
Energy: 1.3368786955788217
Energy: 1.3772125539661606
Energy: 1.3021317638511307
Energy: 1.377212553965359
Energy: 1.364114668762167
Energy: 1.3629139091365419
Energy: 1.3069951249869898
Energy: 1.36291390913574
Energy: 1.3761872787375162
Energy: 1.3148395069843322
Energy: 1.3025188735928876
Energy: 1.3148395069827288
Energy: 1.3591322893684037
Energy: 1.3668045521995202
Energy: 1.3053619303146882
Energy: 1.3668045521987187
Energy: 1.3759468902782581
Energy: 1.4323978680034153
Energy: 1.3042185158084605
Energy: 1.4323978680026135
Energy: 1.3645788672287704
Energy: 1.3999612602713871
Energy: 1.3596020585536908
Energy: 1.3999612602705855
Energy: 1.3606614267337025
Energy: 1.3919211014116983
Energy: 1.4080981404842938
Energy: 1.3919211014125
Energy: 1.3786688979979027
Energy: 1.4288834661396466
Energy: 1.3791933370886038
Energy: 1.4288834661396466
Energy: 1.4088938834594484
Energy: 1.4193435741620097
Energy: 1.3799812102622597
Energy: 1.4193435741620097
Energy: 1.375001418230375
Energy: 1.4282312981672383
Energy: 1.3792779503453327
Energy: 1.4282312981680396
Energy: 1.3619298028416014
Energy: 1.4273379999499511
Energy: 1.4125568642741015
Energy: 1.4273379999507527
Energy: 1.3639998294837465
Energy: 1.3994831148646465
Energy: 1.3365140356284586
Energy: 1.3994831148646465
Energy: 1.3760143549988415
Energy: 1.3994718208358736
Energy: 1.3730592668807828
Energy: 1.3994718208366752
Energy: 1.336032715304795
Energy: 1.3149568093600814
Energy: 1.3029144661013226
Energy: 1.3149568093600814
Energy: 1.3339142756015192
Energy: 1.3149401946630515
Energy: 1.303109796309679
Energy: 1.3149401946622494
Energy: 1.3631081866327366
Energy: 1.3621957743339954
Energy: 1.2656771777563547
Energy: 1.3621957743331938
Energy: 1.3023463297801359
Energy: 1.303933040779607
Energy: 1.3368006546241034
Energy: 1.3039330407788052
Energy: 1.3054860561833417
Energy: 1.3621239104746816
Energy: 1.3621831054057116
Energy: 1.3621239104754834
Energy: 1.3751391851170072
Energy: 1.3041727468945374
Energy: 1.376446345012771
Energy: 1.3041727468937359
Energy: 1.3026569626444229
Energy: 1.3657979594392549
Energy: 1.3593135441352406
Energy: 1.3657979594392549
Energy: 1.3039328517021493
Energy: 1.3160642270355987
Energy: 1.37612393856643
Energy: 1.3160642270364002
Energy: 1.3597698327827739
Energy: 1.4514193978517675
Energy: 1.3631316124253303
Energy: 1.4514193978517675
Energy: 1.4089511675813167
Energy: 1.3997971958469828
Energy: 1.362728131433135
Energy: 1.3997971958469828
Energy: 1.3793543768450482
Energy: 1.4305513213630658
Energy: 1.378670730047941
Energy: 1.4305513213622643
Energy: 1.3818573700968608
Energy: 1.4295223099507681
Energy: 1.41060444963148
Energy: 1.42952230995157
Energy: 1.3795681767739332
Energy: 1.4296727437808534
Energy: 1.3751160696228193
Energy: 1.429672743781655
Energy: 1.4091686167157027
Energy: 1.4264661298750276
Energy: 1.3602456254578907
Energy: 1.4264661298742258
Energy: 1.3364434052461596
Energy: 1.4004631533510359
Energy: 1.3835633098730418
Energy: 1.4004631533510359
Energy: 1.373843511596997
Energy: 1.3986623780012324
Energy: 1.3756047682768244
Energy: 1.3986623780012324
Energy: 1.3112547337701697
Energy: 1.3156301775767714
Energy: 1.3358740252504384
Energy: 1.3156301775783745
Energy: 1.30303136527663
Energy: 1.3155956271577847
Energy: 1.334185638684655
Energy: 1.3155956271585862
Energy: 1.2655385632081884
Energy: 1.362743672142599
Energy: 1.3642072372984273
Energy: 1.362743672142599

minimum gb energy = 1.2655385632081884 eV
minimum distance =  2.23542952384977 Angstroms
sigma value = 1


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

Energy: 2.502278923011185
Energy: 1.3219705596147067
Energy: 1.428020668956871
Energy: 1.4290573296767541
Energy: 1.409528610968138
Energy: 1.4397541907242297
Energy: 1.3645537878814518
Energy: 1.4397541907242297
Energy: 1.427460433763687
Energy: 1.428823882689566
Energy: 1.366558525192697
Energy: 1.4288238826868238
Energy: 1.4541450936048914
Energy: 1.3796401397079363
Energy: 1.366053764538024
Energy: 1.3796401397051943
Energy: 1.366474897726888
Energy: 1.4345396329578421
Energy: 1.364373867085694
Energy: 1.4345396329569282
Energy: 1.5124563181039747
Energy: 1.5082991303632192
Energy: 1.3682110667020955
Energy: 1.508299130364133
Energy: 1.4439939647437678
Energy: 1.4814699005543208
Energy: 1.4334716378235084
Energy: 1.4814699005543208
Energy: 1.434151865654025
Energy: 1.4738913546050252
Energy: 1.4876367330627314
Energy: 1.4738913546050252
Energy: 1.4360509238934387
Energy: 1.5092354283338556
Energy: 1.4489515856875528
Energy: 1.5092354283320273
Energy: 1.487226041562077
Energy: 1.5108121969079007
Energy: 1.4364834305159404
Energy: 1.5108121969097288
Energy: 1.4088303891525962
Energy: 1.4809031819910379
Energy: 1.4406496223600713
Energy: 1.4809031819910379
Energy: 1.4489473031039366
Energy: 1.4797097797762409
Energy: 1.4546079969790267
Energy: 1.479709779774413
Energy: 1.3659399577620204
Energy: 1.3786067477483765
Energy: 1.408051150986143
Energy: 1.3786067477492905
Energy: 1.365993798226529
Energy: 1.3798866516216775
Energy: 1.4010035536269998
Energy: 1.3798866516216775
Energy: 1.3179446370328023
Energy: 1.429017451319681
Energy: 1.4297766153802234
Energy: 1.429017451318767
Energy: 1.4095479938486124
Energy: 1.3648740113946818
Energy: 1.3657095669274817
Energy: 1.364874011395596
Energy: 1.4283161101341786
Energy: 1.428772953550016
Energy: 1.36830522091729
Energy: 1.4287729535491018
Energy: 1.3665135382886093
Energy: 1.3659732617967297
Energy: 1.453765491489786
Energy: 1.365973261797644
Energy: 1.3666734242478058
Energy: 1.434716574510723
Energy: 1.3659711447776552
Energy: 1.434716574509809
Energy: 1.453928670383282
Energy: 1.3796022085308528
Energy: 1.367606961836285
Energy: 1.3796022085308528
Energy: 1.440452668466945
Energy: 1.5353109757355532
Energy: 1.4341343825390198
Energy: 1.5353109757355532
Energy: 1.4335016100333096
Energy: 1.4804933534523486
Energy: 1.4890019802733925
Energy: 1.4804933534514348
Energy: 1.4356584993250956
Energy: 1.5097792869244577
Energy: 1.4488932036954987
Energy: 1.5097792869272
Energy: 1.4879370626505968
Energy: 1.5162473436845436
Energy: 1.4361385025815776
Energy: 1.5162473436836295
Energy: 1.4087339499901468
Energy: 1.4818653487877762
Energy: 1.4385603068101838
Energy: 1.4818653487859481
Energy: 1.4477691026540553
Energy: 1.483525116882947
Energy: 1.514149156134966
Energy: 1.483525116882033
Energy: 1.376488465054118
Energy: 1.3791869981824811
Energy: 1.407997231486784
Energy: 1.3791869981824811
Energy: 1.3649982858763459
Energy: 1.379257251948918
Energy: 1.4014094067626939
Energy: 1.3792572519498318
Energy: 1.317632936302814
Energy: 1.4291787762592276
Energy: 1.4300748039809852
Energy: 1.4291787762601416

minimum gb energy = 1.317632936302814 eV
minimum distance =  2.23531404571376 Angstroms
sigma value = 25


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

Energy: 2.3534917289445847
Energy: 1.444943625580513
Energy: 1.4988458185794962
Energy: 1.4981939965436808
Energy: 1.4942587545833854
Energy: 1.502644911219537
Energy: 1.4335549175707054
Energy: 1.502644911219537
Energy: 1.4977110437740362
Energy: 1.4984305092788177
Energy: 2.1195596994835513
Energy: 1.4984305092788177
Energy: 1.5014657810946914
Energy: 1.4504047371309152
Energy: 1.4336398151172283
Energy: 1.4504047371319777
Energy: 1.4368503533662078
Energy: 1.5111723406722357
Energy: 1.433742558695781
Energy: 1.5111723406722357
Energy: 1.606581863721431
Energy: 1.4372367817096463
Energy: 1.4367988621743264
Energy: 1.4372367817096463
Energy: 1.511772024391323
Energy: 1.6028689619404466
Energy: 1.5383987897551556
Energy: 1.6028689619404466
Energy: 1.5029838041503665
Energy: 1.5718389755268283
Energy: 1.5748731188459049
Energy: 1.5718389755268283
Energy: 1.5120355801819005
Energy: 1.602549433400823
Energy: 1.4928383585121232
Energy: 1.602549433400823
Energy: 1.607640639545008
Energy: 1.577472480121085
Energy: 1.535533459554196
Energy: 1.577472480121085
Energy: 1.3687338008267322
Energy: 1.4501866325552355
Energy: 1.4327525214487127
Energy: 1.4501866325552355
Energy: 1.4716891444384348
Energy: 1.4506801436978616
Energy: 1.4338806224494787
Energy: 1.4506801436978616
Energy: 1.4975518468803737
Energy: 1.498041882078572
Energy: 1.3668519765374463
Energy: 1.498041882078572
Energy: 1.4336178539295648
Energy: 1.4352853358918487
Energy: 1.494050879475604
Energy: 1.4352853358918487
Energy: 1.436074992635615
Energy: 1.4984414225243545
Energy: 1.5000780162890717
Energy: 1.4984414225243545
Energy: 1.5434468379730444
Energy: 1.4334180285285731
Energy: 1.5020093928645561
Energy: 1.4334180285285731
Energy: 1.4356635269364784
Energy: 1.5111553509548061
Energy: 1.436790109835879
Energy: 1.5111553509558688
Energy: 1.4378418321289521
Energy: 1.4497093863694257
Energy: 1.6061235593124756
Energy: 1.4497093863694257
Energy: 1.5107550366328155
Energy: 1.599450092543712
Energy: 1.5135248478152843
Energy: 1.5994500925447745
Energy: 1.5769886096164714
Energy: 1.57615148743414
Energy: 1.5065731618329379
Energy: 1.5761514874330773
Energy: 1.4926018932269076
Energy: 1.5781552485079648
Energy: 1.5127083163192097
Energy: 1.5781552485079648
Energy: 1.5348292564205215
Energy: 1.5769165780747365
Energy: 1.6075219754123278
Energy: 1.576916578075799
Energy: 1.4491559887877512
Energy: 1.4501023770800296
Energy: 1.3672521529808352
Energy: 1.4501023770789672
Energy: 1.4342524716722376
Energy: 1.449918725100636
Energy: 1.4716744195090432
Energy: 1.449918725100636
Energy: 1.3686467333238184
Energy: 1.4989114450692467
Energy: 1.49877109712783
Energy: 1.4989114450692467

minimum gb energy = 1.3668519765374463 eV
minimum distance =  2.24105879546414 Angstroms
sigma value = 9


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

Energy: 2.1332930561457917
Energy: 1.4282052067441204
Energy: 1.5701807027985317
Energy: 1.5689123111139367
Energy: 1.7428077768417745
Energy: 1.5615318291031137
Energy: 1.5897743976440852
Energy: 1.5615318291031137
Energy: 1.5695342374539678
Energy: 1.5689938547931017
Energy: 1.5774200308286566
Energy: 1.5689938547931017
Energy: 1.581713730244677
Energy: 1.5283229163664656
Energy: 1.5896316822790397
Energy: 1.528322916367733
Energy: 1.5043802130591426
Energy: 1.5270531786832708
Energy: 1.5076905551912259
Energy: 1.5270531786820032
Energy: 1.7166376644338261
Energy: 1.5275203411349805
Energy: 1.5057627547153254
Energy: 1.5275203411324454
Energy: 1.5931476898551895
Energy: 1.710789349573383
Energy: 1.5404312051820648
Energy: 1.710789349573383
Energy: 1.5054792487378053
Energy: 1.6902622476382014
Energy: 1.7172055074685195
Energy: 1.6902622476394689
Energy: 1.5066581223890663
Energy: 1.5271685438044666
Energy: 1.4138169321331466
Energy: 1.527168543803199
Energy: 1.508816840092964
Energy: 1.5284806868809395
Energy: 1.5453087727376982
Energy: 1.5284806868809395
Energy: 1.4126994095753773
Energy: 1.5683182089046859
Energy: 1.5688164664650905
Energy: 1.5683182089046859
Energy: 1.7434690164373579
Energy: 1.4925217483409798
Energy: 1.5894876570328733
Energy: 1.4925217483397122
Energy: 1.5691281234602101
Energy: 1.5693048830612382
Energy: 1.5773811433696818
Energy: 1.5693048830599705
Energy: 1.5818276566086729
Energy: 1.4920659675396593
Energy: 1.713336442602671
Energy: 1.4920659675396593
Energy: 1.503878404961561
Energy: 1.5950485755750186
Energy: 1.5074779720104263
Energy: 1.5950485755762862
Energy: 1.7165023485282376
Energy: 1.5272821768626181
Energy: 1.5093910011239833
Energy: 1.5272821768626181
Energy: 1.5928590527220439
Energy: 1.7120893031661426
Energy: 1.5398429610150899
Energy: 1.7120893031674103
Energy: 1.5827232698385552
Energy: 1.6933836262950834
Energy: 1.7151388895802822
Energy: 1.6933836262950834
Energy: 1.5266643243648148
Energy: 1.5277523283904384
Energy: 1.4122472444995797
Energy: 1.5277523283904384
Energy: 1.590414250386568
Energy: 1.5276940994868982
Energy: 1.412770379895086
Energy: 1.5276940994881656
Energy: 1.412998254921466
Energy: 1.5795683728164847
Energy: 1.5702566776172637
Energy: 1.5795683728177523

minimum gb energy = 1.4122472444995797 eV
minimum distance =  2.18944856138707 Angstroms
sigma value = 25


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

Energy: 1.8044934661737178
Energy: 1.5656624875912464
Energy: 1.6358829560589165
Energy: 1.6337033120074504
Energy: 1.8672247102099888
Energy: 1.5496020974854907
Energy: 1.6732587779008847
Energy: 1.5496020974854907
Energy: 1.634713582377654
Energy: 1.6349927842076786
Energy: 1.6517912284075091
Energy: 1.6349927842076786
Energy: 1.6545947047868315
Energy: 1.550298178563975
Energy: 1.6732368264905728
Energy: 1.550298178563975
Energy: 1.6211745061285596
Energy: 1.6450705530679048
Energy: 1.5872506027854882
Energy: 1.6450705530679048
Energy: 1.8737087914977353
Energy: 1.6460008373805428
Energy: 1.4810544489149546
Energy: 1.6460008373821102
Energy: 1.725579665275584
Energy: 1.6447584866296792
Energy: 1.5859679612716917
Energy: 1.6447584866296792
Energy: 1.436630385296898
Energy: 1.6452710367657257
Energy: 1.6738680520798626
Energy: 1.6452710367657257
Energy: 1.633441584317122
Energy: 1.6336761247269982
Energy: 1.6574434213530131
Energy: 1.6336761247269982
Energy: 1.673319850246246
Energy: 1.4436330762273433
Energy: 1.8672031886093297
Energy: 1.4436330762273433
Energy: 1.4413755572968103
Energy: 1.6350460013532986
Energy: 1.6368663664172332
Energy: 1.6350460013532986
Energy: 1.651592609447737
Energy: 1.654531175320342
Energy: 1.6559261959556235
Energy: 1.6545311753219094
Energy: 1.482671165530079
Energy: 1.646441305416012
Energy: 1.6213545353933834
Energy: 1.6464413054144444
Energy: 1.5870719949302357
Energy: 1.6454580377180885
Energy: 1.8768142341240024
Energy: 1.6454580377180885
Energy: 1.622644429241858
Energy: 1.6449265293523827
Energy: 1.7197479448484412
Energy: 1.6449265293523827
Energy: 1.6741933817631307
Energy: 1.663043619540793
Energy: 1.7216939530106277
Energy: 1.663043619540793
Energy: 1.8677392583120025
Energy: 1.4452950224739172
Energy: 1.6784547702308728
Energy: 1.4452950224739172

minimum gb energy = 1.436630385296898 eV
minimum distance =  2.27517041463189 Angstroms
sigma value = 17


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

Energy: 2.546529217928251
Energy: 1.7386520034319528
Energy: 1.7811483915873894
Energy: 1.7824029692468117
Energy: 1.613521446572277
Energy: 1.7218413208239494
Energy: 1.867585867772911
Energy: 1.7218413208230614
Energy: 1.5791816489233514
Energy: 1.5776872235208657
Energy: 1.7204750185811495
Energy: 1.5776872235217536
Energy: 1.5820860090861122
Energy: 1.7395474316843509
Energy: 1.5832977847010532
Energy: 1.7395474316843509
Energy: 1.6996392969841008
Energy: 1.724931087302692
Energy: 1.6461043803922588
Energy: 1.724931087302692
Energy: 1.7133855820606392
Energy: 1.7477936081590582
Energy: 1.6965529684657914
Energy: 1.7477936081573229
Energy: 1.6843420192170293
Energy: 1.5767975741318103
Energy: 1.5787382273105433
Energy: 1.5767975741309226
Energy: 1.9830840240172136
Energy: 1.5838805096308979
Energy: 1.5769403232156491
Energy: 1.5838805096308979
Energy: 1.782882372846267
Energy: 1.7832742103357337
Energy: 1.7193835752505036
Energy: 1.7832742103357337
Energy: 1.8403883029750854
Energy: 1.6992015257351343
Energy: 1.7314344708033569
Energy: 1.6992015257351343
Energy: 1.697472725690871
Energy: 1.5796434499828542
Energy: 1.5725434776862124
Energy: 1.5796434498683702
Energy: 1.6953757112574623
Energy: 1.5795705550191863
Energy: 1.5611426199859957
Energy: 1.579570555020074
Energy: 1.6845760346343686
Energy: 1.5790965568585624
Energy: 1.5612345727352115
Energy: 1.5790965568585624
Energy: 1.6846998042510295
Energy: 1.579950847373214
Energy: 1.6224059245429903
Energy: 1.5799508473714385
Energy: 1.8436736541475953
Energy: 1.8393169465571484
Energy: 1.7213724774558192
Energy: 1.8393169465571484
Energy: 1.8148100412106039
Energy: 1.808652189578017
Energy: 1.718839268903738
Energy: 1.8086521895789047
Energy: 1.7216160649120569
Energy: 1.5819046846849192
Energy: 1.5790231057700261
Energy: 1.5819046846849192
Energy: 1.7217685714275999
Energy: 1.5809152855562367
Energy: 1.5788769238184894
Energy: 1.5809152855553492
Energy: 1.717270243686175
Energy: 1.7454468207949236
Energy: 1.7010706609421518
Energy: 1.7454468207949236
Energy: 1.673354523613891
Energy: 1.7452661475696079
Energy: 1.7004081318745543
Energy: 1.7452661475704958
Energy: 1.5810115070176842
Energy: 1.5835195591098712
Energy: 1.8407854967702828
Energy: 1.5835195591089837
Energy: 1.577099140020633
Energy: 1.586970493751016
Energy: 1.6845612492488278
Energy: 1.586970493750128
Energy: 1.7312123228405323
Energy: 1.8395648935667928
Energy: 1.8621401659606036
Energy: 1.8395648935667928
Energy: 1.7196807001819736
Energy: 1.783002135550392
Energy: 1.7816260340905758
Energy: 1.7830021355495043
Energy: 1.6221444110762675
Energy: 1.722391703130651
Energy: 1.8386464012081805
Energy: 1.722391703130651
Energy: 1.56134966871395
Energy: 1.5797574988267729
Energy: 1.6982529157939559
Energy: 1.579757498829436
Energy: 1.5687416916409522
Energy: 1.7087037379305887
Energy: 1.693157056670706
Energy: 1.7087037379314767
Energy: 1.563051002708578
Energy: 1.579595616380131
Energy: 1.6854155443106715
Energy: 1.579595616380131
Energy: 1.6921736417146485
Energy: 1.7225829350443633
Energy: 1.6864829372928156
Energy: 1.7225829350443633
Energy: 1.724878286022986
Energy: 1.7824292629036704
Energy: 1.7866677234144968
Energy: 1.7824292629027827

minimum gb energy = 1.5611426199859957 eV
minimum distance =  2.22587982684012 Angstroms
sigma value = 53


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

Energy: 2.2545501075786762
Energy: 1.4135558921358706
Energy: 1.6457910341000128
Energy: 1.6436743902556368
Energy: 2.000758335070175
Energy: 1.4829502520374096
Energy: 1.6813301973484798
Energy: 1.4829502520374096
Energy: 1.6449315987884787
Energy: 1.6447594138646777
Energy: 1.817069601850728
Energy: 1.6447594138646777
Energy: 1.683821402969228
Energy: 1.4838369324775966
Energy: 1.7148838963932724
Energy: 1.4838369324755527
Energy: 1.7330762939186193
Energy: 1.4831739678543507
Energy: 1.3846225156978573
Energy: 1.4831739678543507
Energy: 1.7141325663660492
Energy: 1.4860502724409435
Energy: 1.3848913369257547
Energy: 1.4860502724409435
Energy: 2.0190281012987783
Energy: 1.6792722586323023
Energy: 1.680896854614532
Energy: 1.6792722586323023
Energy: 2.0206347696557416
Energy: 1.6803155491414234
Energy: 1.6787265063917258
Energy: 1.6803155491414234
Energy: 1.6438118005835507
Energy: 1.645050975115963
Energy: 1.72650353658919
Energy: 1.645050975113919
Energy: 1.679179133084195
Energy: 1.48598939716968
Energy: 1.71683975179474
Energy: 1.48598939716968
Energy: 1.7331548387874565
Energy: 1.4851009728796707
Energy: 1.3848335690634022
Energy: 1.485100972877627
Energy: 1.7160562129109995
Energy: 1.4828857630180485
Energy: 1.3886204415985477
Energy: 1.4828857630200927
Energy: 2.019151811446539
Energy: 1.680126697696679
Energy: 1.6777575124971322
Energy: 1.680126697696679

minimum gb energy = 1.3846225156978573 eV
minimum distance =  2.24943360530173 Angstroms
sigma value = 9


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

Energy: 2.1628870658520243
Energy: 1.8260709181348649
Energy: 1.8668570409090626
Energy: 1.8630730710404804
Energy: 1.7969649692462968
Energy: 1.5319683503179389
Energy: 1.9037615284842648
Energy: 1.5319683503179389
Energy: 1.5338631364231732
Energy: 1.5321814214377762
Energy: 1.9317400380514826
Energy: 1.5321814214370197
Energy: 1.5329744138931434
Energy: 1.5326999123730602
Energy: 2.044530571332528
Energy: 1.5326999123723035
Energy: 1.5346422609497377
Energy: 1.5301968323838173
Energy: 2.0519513294888005
Energy: 1.530196832383061
Energy: 1.5886598544137729
Energy: 1.5312523475605828
Energy: 2.0125183705410774
Energy: 1.5312523475598263
Energy: 2.0816591683062775
Energy: 1.8523712669482202
Energy: 1.883619940902079
Energy: 1.8523712669489767
Energy: 2.015078797688871
Energy: 1.8708368397984518
Energy: 1.8664777995577881
Energy: 1.8708368397976955
Energy: 1.6850303343099533
Energy: 1.740310843182521
Energy: 1.6603645609057271
Energy: 1.740310843182521
Energy: 1.519915667053694
Energy: 1.6944198588299146
Energy: 1.92670491782845
Energy: 1.6944198588299146
Energy: 1.6388227992230373
Energy: 1.6417531229225966
Energy: 1.7769817449828322
Energy: 1.6417531229225966
Energy: 1.6670060938097222
Energy: 1.673801560064084
Energy: 2.045557737761073
Energy: 1.673801560064084
Energy: 1.9156797324232373
Energy: 1.6406901276762431
Energy: 1.6639868756361902
Energy: 1.6406901276754866
Energy: 1.9126361196733115
Energy: 1.640032530056291
Energy: 1.6619779491565512
Energy: 1.640032530056291
Energy: 1.9115003757578755
Energy: 1.6934526397234093
Energy: 1.651826792292943
Energy: 1.6934526397234093
Energy: 1.7981513972622705
Energy: 1.7336191165385766
Energy: 1.66605048481895
Energy: 1.7336191165378203
Energy: 1.8756640396248045
Energy: 1.736464482709752
Energy: 1.6833609470095159
Energy: 1.736464482712778
Energy: 1.8657699910647623
Energy: 1.8628503828448029
Energy: 2.1639612321408723
Energy: 1.8628503828455594
Energy: 2.049767138707705
Energy: 1.530618225719046
Energy: 1.79669709479023
Energy: 1.5306182257198024
Energy: 1.9927516118354223
Energy: 1.531666162667236
Energy: 1.533649263053118
Energy: 1.5316661626649668
Energy: 2.0458896664339687
Energy: 1.5322008104564917
Energy: 1.5330050192187257
Energy: 1.532200810457248
Energy: 2.049565254001424
Energy: 1.529749839618752
Energy: 1.5316351535081547
Energy: 1.5297498396172393
Energy: 2.051320425718601
Energy: 1.5311896942777805
Energy: 1.5888673453475832
Energy: 1.5311896942785368
Energy: 1.896882167432433
Energy: 1.866944011033671
Energy: 2.0807177650768254
Energy: 1.8669440110329145
Energy: 1.8675229783057625
Energy: 1.8694418765407055
Energy: 2.080094319864718
Energy: 1.869441876539949
Energy: 1.661628957226799
Energy: 1.7383568269954144
Energy: 1.677577832596344
Energy: 1.7383568269908753
Energy: 1.745599088964481
Energy: 1.6939663912389067
Energy: 1.5188664774499134
Energy: 1.6939663912381502
Energy: 1.878498082907875
Energy: 1.6417900493773936
Energy: 1.6402151577806177
Energy: 1.6417900493758806
Energy: 2.0633005840783225
Energy: 1.666503233899356
Energy: 1.663053934436098
Energy: 1.6665032339001127
Energy: 1.7951250359910944
Energy: 1.6420387732657726
Energy: 1.9168004848136961
Energy: 1.6420387732657726
Energy: 1.6638011518283793
Energy: 1.6406098202107886
Energy: 1.927593450050899
Energy: 1.6406098202107886
Energy: 1.641489288534217
Energy: 1.6947219248963687
Energy: 1.9145478047017934
Energy: 1.6947219248949243
Energy: 1.6669725971560772
Energy: 1.7320171332703858
Energy: 1.7969477793414697
Energy: 1.7320171332703858
Energy: 1.6800635616957773
Energy: 1.7356092931816598
Energy: 1.749263067871763
Energy: 1.7356092931809035
Energy: 2.059966616146439
Energy: 1.8629723937103178
Energy: 1.8657954026689527
Energy: 1.8629723937103178

minimum gb energy = 1.5188664774499134 eV
minimum distance =  2.2114498199319 Angstroms
sigma value = 73


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

Energy: 2.2661308894259955
Energy: 1.7086783918251678
Energy: 1.819204742288827
Energy: 1.776665121231746
Energy: 1.682794117411893
Energy: 1.5722281081242586
Energy: 1.851294493884324
Energy: 1.5722281081242586
Energy: 1.572547453805234
Energy: 1.5730172862471175
Energy: 1.8844466891052236
Energy: 1.5730172862471175
Energy: 1.572178038888104
Energy: 1.579137237135294
Energy: 2.019207985271302
Energy: 1.579137237135294
Energy: 1.5766340776736496
Energy: 1.5757892442583241
Energy: 2.0111428829898905
Energy: 1.5757892442583241
Energy: 1.6956337704408446
Energy: 1.5755490875011082
Energy: 1.9849652742763215
Energy: 1.5755490875011082
Energy: 1.8625507452273262
Energy: 1.833210308629034
Energy: 1.8795430674749096
Energy: 1.8332103086302343
Energy: 1.742360342661896
Energy: 1.83160291968707
Energy: 1.846077689765194
Energy: 1.83160291968707
Energy: 1.7002545709232768
Energy: 1.7580918981964602
Energy: 1.8827226282568905
Energy: 1.7580918982096623
Energy: 1.6585703291108602
Energy: 1.7781390190590092
Energy: 1.9199641464595996
Energy: 1.7781390190590092
Energy: 1.7016041919610339
Energy: 1.5609371734598718
Energy: 1.5606872933502898
Energy: 1.5609371734598718
Energy: 1.6509066171650488
Energy: 1.651548802972671
Energy: 1.9695357808237888
Energy: 1.651548802972671
Energy: 1.8708173507330315
Energy: 1.6603295106721523
Energy: 1.7565538736199782
Energy: 1.660329510673352
Energy: 1.8726572258613252
Energy: 1.6856762683746778
Energy: 1.6741998587316895
Energy: 1.6856762683746778
Energy: 1.8915383460159272
Energy: 1.6729327872511723
Energy: 1.632318550085916
Energy: 1.6729327872751762
Energy: 2.011917689316112
Energy: 1.6279352433448824
Energy: 1.6580647558586261
Energy: 1.6279352433448824
Energy: 1.9843808525601876
Energy: 1.6293483298201945
Energy: 1.6794215828064747
Energy: 1.6293483298213947
Energy: 1.8050778231749731
Energy: 1.8041539544471268
Energy: 1.7386103303532554
Energy: 1.8041539544483272
Energy: 1.7811136353067698
Energy: 1.6810973918978331
Energy: 1.821842187301488
Energy: 1.681097391896633
Energy: 1.8124154412108253
Energy: 1.6671106196313794
Energy: 1.6724964756829144
Energy: 1.667110619630179
Energy: 1.8081188652194615
Energy: 1.791031666059701
Energy: 1.6533432741903809
Energy: 1.791031666059701
Energy: 2.0097133503569746
Energy: 1.774590623127932
Energy: 1.7842063232972538
Energy: 1.774590623127932

minimum gb energy = 1.5606872933502898 eV
minimum distance =  2.21914002789279 Angstroms
sigma value = 7


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

Energy: 2.5836549989837065
Energy: 1.7173715811059658
Energy: 1.8433618036598525
Energy: 1.7954310310061343
Energy: 1.5618513561644896
Energy: 1.6541683661909838
Energy: 1.9462055415113775
Energy: 1.6541683661918325
Energy: 1.5688599983947007
Energy: 1.5675277119002586
Energy: 1.7346450138068203
Energy: 1.5675277119002586
Energy: 1.5682954947794279
Energy: 1.5692239720279741
Energy: 1.9362670155281956
Energy: 1.5692239720271255
Energy: 1.6008263389041328
Energy: 1.5980360996170107
Energy: 1.8946222403567015
Energy: 1.5980360996170107
Energy: 1.6377563320251607
Energy: 1.5983638362477723
Energy: 1.8958644991084346
Energy: 1.5983638362494699
Energy: 1.9573441576435462
Energy: 1.5987993281533368
Energy: 1.5989186852589587
Energy: 1.598799328150791
Energy: 2.013376506929559
Energy: 1.5988664385609763
Energy: 1.5960330121174535
Energy: 1.5988664385584304
Energy: 1.9545426525342091
Energy: 1.5681438603248863
Energy: 1.5675709825492505
Energy: 1.5681438603265836
Energy: 1.9178078016700544
Energy: 1.5687864486345902
Energy: 1.5682321432326902
Energy: 1.5687864486354388
Energy: 1.9462189884766607
Energy: 1.7719517564362377
Energy: 1.7990722622698834
Energy: 1.771951756437935
Energy: 1.819569060617829
Energy: 1.7874118225293447
Energy: 1.9834763422546862
Energy: 1.7874118225310418
Energy: 1.7737531340827057
Energy: 1.651393129851751
Energy: 1.771329238517383
Energy: 1.6513931298509024
Energy: 1.7365472021733233
Energy: 1.6497233539706553
Energy: 1.5677803120117308
Energy: 1.6497233539723528
Energy: 1.7708874669825831
Energy: 1.6508615616648254
Energy: 1.6143932924366489
Energy: 1.6508615616614308
Energy: 1.9858323883512143
Energy: 1.7698418543673875
Energy: 1.819969102517424
Energy: 1.769841854369085
Energy: 1.9863190620424456
Energy: 1.7668420030263434
Energy: 1.961081416111828
Energy: 1.7668420030254948
Energy: 1.6170605356309333
Energy: 1.5698546149201464
Energy: 1.748373680487377
Energy: 1.5698546149192978
Energy: 1.565675886202924
Energy: 1.568037415213264
Energy: 1.94599634692774
Energy: 1.5680374152124152
Energy: 1.5979504459901963
Energy: 1.5978069178858423
Energy: 1.9833307001439082
Energy: 1.5978069178874623
Energy: 1.5983079655371797
Energy: 1.598154082379408
Energy: 1.893920132655073
Energy: 1.5981540823811051
Energy: 1.9533074455225636
Energy: 1.599193907294228
Energy: 1.5986776600706762
Energy: 1.5991939072959251
Energy: 1.9552410905033717
Energy: 1.5987832347744049
Energy: 1.6008843655068947
Energy: 1.598783234771859
Energy: 1.9203615054298289
Energy: 1.569092798118348
Energy: 1.5667464167162677
Energy: 1.569092798118348
Energy: 1.9002312281483267
Energy: 1.5683649818013687
Energy: 1.5669669627237746
Energy: 1.5683649818022174
Energy: 1.8994357186316062
Energy: 1.567111250462702
Energy: 1.62216258032468
Energy: 1.5671112504601559
Energy: 1.8238910398824972
Energy: 1.7945903637863818
Energy: 2.2539610019188716
Energy: 1.7945903637804412
Energy: 1.768719508283684
Energy: 1.6806560374236266
Energy: 1.7685837423725854
Energy: 1.6806560374244752
Energy: 1.7371023961802992
Energy: 1.6515716656142991
Energy: 1.7479221748225158
Energy: 1.6515716656185424
Energy: 1.7795264708663237
Energy: 1.7729088037583336
Energy: 1.5735874016251774
Energy: 1.7729088037600307
Energy: 1.9920003967626367
Energy: 1.768854723256352
Energy: 1.7872965355232853
Energy: 1.768854723256352

minimum gb energy = 1.5618513561644896 eV
minimum distance =  2.22361055369301 Angstroms
sigma value = 29


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

Energy: 1.4429877992408173
Energy: 1.65899638512617
Energy: 1.610591541054874
Energy: 1.6973284949033678
Energy: 1.5962549036613543
Energy: 1.5976261036399
Energy: 1.6165877960184172
Energy: 1.5976261036396373
Energy: 1.6656640305576078
Energy: 1.5331936741767607
Energy: 1.5216295822650534
Energy: 1.533193674176465
Energy: 1.5350550080878138
Energy: 1.4696062903953402
Energy: 1.6141431203326817
Energy: 1.469606290394486
Energy: 1.5299937370566492
Energy: 1.5355003262988582
Energy: 1.4444136485121606
Energy: 1.5355003262985953
Energy: 1.6131601251323167
Energy: 1.6392854003724184
Energy: 1.4444638823576963
Energy: 1.639285400372714
Energy: 1.454604026345484
Energy: 1.6423478662997428
Energy: 1.6665541902977623
Energy: 1.6423478662991515
Energy: 1.6152281547376963
Energy: 1.601491430441513
Energy: 1.5980850160701332
Energy: 1.6014914304672307
Energy: 1.5960608435636936
Energy: 1.469336216926517
Energy: 1.526302486426185
Energy: 1.469336216927108

minimum gb energy = 1.4429877992408173 eV
minimum distance =  2.24496071147938 Angstroms
sigma value = 5


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

Energy: 1.963842810393959
Energy: 1.4790680098437408
Energy: 1.72039482052899
Energy: 1.718421031234887
Energy: 1.7548015345682144
Energy: 1.481226682468743
Energy: 1.7730039749987632
Energy: 1.4812266824695448
Energy: 1.7131184837355793
Energy: 1.5827541978860573
Energy: 1.7079994306848596
Energy: 1.5827541978860573
Energy: 1.5035013690088752
Energy: 1.4789804562281221
Energy: 1.8509656683056532
Energy: 1.4789804562297255
Energy: 1.6418315319884031
Energy: 1.5417207494073786
Energy: 1.70695503605693
Energy: 1.5417207494073786
Energy: 1.5718245680546135
Energy: 1.567541171286891
Energy: 1.7085839796753535
Energy: 1.5675411712876928
Energy: 1.4804530283531656
Energy: 1.4793694650150828
Energy: 1.849504644104121
Energy: 1.4793694650158844
Energy: 1.5105535160061743
Energy: 1.4822120963346856
Energy: 1.908557422812564
Energy: 1.4822120963346856
Energy: 1.7771457134954
Energy: 1.4621959538443656
Energy: 1.9063306837729566
Energy: 1.4621959538451672
Energy: 1.7322816525489206
Energy: 1.4601013302634427
Energy: 1.4810907314234383
Energy: 1.4601013302618393
Energy: 1.772901746357129
Energy: 1.458543113141814
Energy: 1.4841483995168496
Energy: 1.4585431131426156
Energy: 1.8982009904585389
Energy: 1.4725810758613038
Energy: 1.4722969054161856
Energy: 1.4725810758613038
Energy: 1.9042392778941408
Energy: 1.4592879846802713
Energy: 1.8434487333884546
Energy: 1.4592879846802713
Energy: 1.750438576190444
Energy: 1.5301572934626873
Energy: 1.7046545424447956
Energy: 1.5301572934618857
Energy: 1.4812955888333024
Energy: 1.481687578715884
Energy: 1.7087183147473157
Energy: 1.481687578715884
Energy: 1.566999867300135
Energy: 1.4822506185600322
Energy: 1.7653239060419406
Energy: 1.4822506185592303
Energy: 1.7185025440638246
Energy: 1.4807773512754387
Energy: 1.5004171617980144
Energy: 1.4807773512754387
Energy: 1.7458941521319595
Energy: 1.4821833612050432
Energy: 1.7607132953842612
Energy: 1.482183361205845
Energy: 1.7214657856736861
Energy: 1.5843855550470656
Energy: 1.715869020607377
Energy: 1.5843855550470656
Energy: 1.78147368203661
Energy: 1.478711828762616
Energy: 1.4993126747530559
Energy: 1.4787118287618144
Energy: 1.706340536580735
Energy: 1.5027044703624395
Energy: 1.7441270376788076
Energy: 1.5027044703632413
Energy: 1.7060114635383787
Energy: 1.5418434717271803
Energy: 1.4983316784086493
Energy: 1.5418434717271803
Energy: 1.8184762430648975
Energy: 1.4801294559274685
Energy: 1.4835545109196036
Energy: 1.480129455926667
Energy: 1.906424467083929
Energy: 1.4816275391753753
Energy: 1.5062666667412394
Energy: 1.4816275391753753
Energy: 1.8982656498163515
Energy: 1.4625333136533387
Energy: 1.7730916905094591
Energy: 1.4625333136565455
Energy: 1.4824168013458332
Energy: 1.4610006363523782
Energy: 1.7320210630484414
Energy: 1.4610006363539816
Energy: 1.4858059436070954
Energy: 1.4587956508717057
Energy: 1.7766102863754802
Energy: 1.458795650873309
Energy: 1.483604701191503
Energy: 1.4740728205684588
Energy: 1.6486371267773232
Energy: 1.4740728205692604
Energy: 1.474652865042211
Energy: 1.4598006268668098
Energy: 1.9369579588176753
Energy: 1.4598006268660082
Energy: 1.706200015440781
Energy: 1.7064183625417966
Energy: 1.7506832731043633
Energy: 1.706418362540995
Energy: 1.7070943403728442
Energy: 1.4816933792732436
Energy: 1.486322841338397
Energy: 1.4816933792740452
Energy: 1.764897911596551
Energy: 1.4815483235952072
Energy: 1.4861278784641845
Energy: 1.4815483235952072
Energy: 1.505018395821844
Energy: 1.4804707678099318
Energy: 1.4799330384466984
Energy: 1.4804707678107334

minimum gb energy = 1.458543113141814 eV
minimum distance =  2.19855099906942 Angstroms
sigma value = 1


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

Energy: 2.0905710118798595
Energy: 1.4189290012168052
Energy: 1.697459636941835
Energy: 1.6966580071863215
Energy: 1.8171979794447657
Energy: 1.4228321160679278
Energy: 1.6729387020572513
Energy: 1.422832116069036
Energy: 1.6730933140910813
Energy: 1.5549127136362522
Energy: 1.712865265430683
Energy: 1.554912713635144
Energy: 1.443052548361952
Energy: 1.4211707234871838
Energy: 1.8964584695995257
Energy: 1.4211707234882922
Energy: 1.6468619826511066
Energy: 1.4844508110619052
Energy: 1.7157482943688547
Energy: 1.484450811063014
Energy: 1.420791392714191
Energy: 1.4835894363637796
Energy: 1.8930192578631089
Energy: 1.4835894363637796
Energy: 1.4203130389055711
Energy: 1.42011054501741
Energy: 1.8949641037283314
Energy: 1.42011054501741
Energy: 1.4219480342602773
Energy: 1.4240015847229686
Energy: 1.9597119168977215
Energy: 1.4240015847229686
Energy: 1.8377263263860113
Energy: 1.5068375602354274
Energy: 1.9122946355612185
Energy: 1.5068375602365358
Energy: 1.744332486252045
Energy: 1.4247950971769703
Energy: 1.4225300344510956
Energy: 1.4247950971769703
Energy: 1.8369588795174543
Energy: 1.42072073430297
Energy: 1.4196272848309686
Energy: 1.42072073430297
Energy: 1.9584587099441326
Energy: 1.4398131292601635
Energy: 1.4229455930192054
Energy: 1.4398131292590552
Energy: 2.0041666026377563
Energy: 1.4220326214594605
Energy: 1.4354511482365253
Energy: 1.4220326214605687
Energy: 1.8357572715983994
Energy: 1.4211778992402664
Energy: 1.712633103938982
Energy: 1.421177899239158
Energy: 1.4411594320656036
Energy: 1.5532576578790382
Energy: 1.7163629777532234
Energy: 1.55325765787793
Energy: 1.4409769997621356
Energy: 1.4219440333133837
Energy: 1.838145761074707
Energy: 1.421944033312275
Energy: 1.6975718536524012
Energy: 1.4228226753214877
Energy: 1.7438212795924906
Energy: 1.4228226753203792
Energy: 1.452757208574715
Energy: 1.4250534151532699
Energy: 1.8936715302422171
Energy: 1.4250534151521614
Energy: 1.440703762600834
Energy: 1.4219678580228687
Energy: 1.910904795950948
Energy: 1.4219678580206518
Energy: 1.4837495559738239
Energy: 1.4946467254741014
Energy: 2.0483850365018523
Energy: 1.4946467254718847
Energy: 1.7111488568462228
Energy: 1.4956948913112733
Energy: 1.8379889043237736
Energy: 1.4956948913134902
Energy: 1.7454389628347096
Energy: 1.4225482076363287
Energy: 1.423062206698167
Energy: 1.422548207634112
Energy: 1.8362339990013719
Energy: 1.4207844818986934
Energy: 1.4223525372165076
Energy: 1.4207844818975852
Energy: 2.0413850807164384
Energy: 1.4217561821214983
Energy: 1.4215235844944711
Energy: 1.4217561821226066

minimum gb energy = 1.4189290012168052 eV
minimum distance =  2.20671083882434 Angstroms
sigma value = 17


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

Energy: 2.2241448188160295
Energy: 1.407275957152468
Energy: 1.7112842295108883
Energy: 1.7045009155485376
Energy: 1.4152068343518713
Energy: 1.4041033043187743
Energy: 1.5934046028523856
Energy: 1.404103304318089
Energy: 1.7709362522092813
Energy: 1.6593093652964552
Energy: 1.5966709741675584
Energy: 1.6593093652950852
Energy: 1.7731544023293664
Energy: 1.473611932307463
Energy: 1.632841387553648
Energy: 1.4736119323088333
Energy: 1.8131068532515462
Energy: 1.3862062273355409
Energy: 1.9343352450128533
Energy: 1.386206227336911
Energy: 1.3869914849134166
Energy: 1.385335820004316
Energy: 1.896461543370222
Energy: 1.385335820004316
Energy: 1.387585119922105
Energy: 1.385081407036773
Energy: 1.699901386418016
Energy: 1.3850814070374582
Energy: 1.3968681043674929
Energy: 1.3874141584661983
Energy: 2.158484893910217
Energy: 1.3874141584668835
Energy: 1.8178221115027604
Energy: 1.388314817209094
Energy: 1.7488725233181595
Energy: 1.388314817209094
Energy: 1.6014518381441676
Energy: 1.65819841083379
Energy: 1.600583619318683
Energy: 1.6581984108331047
Energy: 1.8954445606717747
Energy: 1.4009412963132537
Energy: 1.4130305667635095
Energy: 1.4009412963153092
Energy: 1.9891040477474566
Energy: 1.4045588647584475
Energy: 1.5948691893986122
Energy: 1.4045588647591327
Energy: 2.275532992908084
Energy: 1.401390920442441
Energy: 1.4025144798518063
Energy: 1.4013909204417558
Energy: 1.9373784404267087
Energy: 1.4011936241003862
Energy: 1.4046638086751035
Energy: 1.4011936240983307
Energy: 1.7680188220890833
Energy: 1.4036343161787457
Energy: 1.4103386283306518
Energy: 1.4036343161766907
Energy: 2.04238036749921
Energy: 1.4538727378225464
Energy: 1.9423276115092143
Energy: 1.453872737824602
Energy: 1.4482898752485869
Energy: 1.4035299969346835
Energy: 1.9764140340587952
Energy: 1.4035299969346835
Energy: 1.4141497170852684
Energy: 1.4013410098376207
Energy: 1.8536538650071681
Energy: 1.4013410098376207
Energy: 1.4719889351509259
Energy: 1.4027295616034712
Energy: 1.940925206831756
Energy: 1.4027295616034712
Energy: 1.7164494822923662
Energy: 1.4023255449120913
Energy: 2.160932652891151
Energy: 1.4023255449114063
Energy: 1.598432255590262
Energy: 1.4033512602323317
Energy: 1.711795147593484
Energy: 1.403351260231647
Energy: 1.5984004029861196
Energy: 1.6599946091378757
Energy: 1.7677850917319653
Energy: 1.6599946091371904
Energy: 1.9267851741213338
Energy: 1.4732847702329206
Energy: 1.7693289700603663
Energy: 1.473284770132959
Energy: 1.938229006190447
Energy: 1.38685773709218
Energy: 1.5537296675715584
Energy: 1.386857737091495
Energy: 1.8933153832702563
Energy: 1.4089937195410815
Energy: 1.3856931033043252
Energy: 1.4089937195417666
Energy: 1.6971008706838815
Energy: 1.3860660109745142
Energy: 1.3917274181340096
Energy: 1.3860660109745142
Energy: 2.1640500872917556
Energy: 1.3875510209782258
Energy: 1.3861854024997462
Energy: 1.3875510209768558
Energy: 1.9353619395745412
Energy: 1.3869288102288924
Energy: 1.8217338200011508
Energy: 1.3869288102302626
Energy: 1.5949534520218438
Energy: 1.6576924233265697
Energy: 1.602029491235156
Energy: 1.6576924233265697
Energy: 1.415061336044761
Energy: 1.400681803373085
Energy: 1.8997640712558064
Energy: 1.4006818033758257
Energy: 1.5471440043898237
Energy: 1.447595288682436
Energy: 1.8945995725960263
Energy: 1.447595288683121
Energy: 1.4012327875303296
Energy: 1.448630966685118
Energy: 2.027091362421148
Energy: 1.448630966685118
Energy: 1.4012985105549276
Energy: 1.4004523064041121
Energy: 1.982187274043056
Energy: 1.4004523064047973
Energy: 1.419476821445102
Energy: 1.4039733792032918
Energy: 1.7867003270506991
Energy: 1.4039733792046618
Energy: 1.9465773974880827
Energy: 1.4518148203584107
Energy: 2.0016453152468143
Energy: 1.4518148203570407
Energy: 2.017727471710779
Energy: 1.404416245087337
Energy: 1.4484649499735869
Energy: 1.404416245088022
Energy: 1.9452509518122618
Energy: 1.400875647047425
Energy: 1.4016700107501534
Energy: 1.4008756470467398
Energy: 1.7481482058938256
Energy: 1.4332979631549192
Energy: 1.4038861186275657
Energy: 1.433297963153549

minimum gb energy = 1.385081407036773 eV
minimum distance =  2.20472111772691 Angstroms
sigma value = 89


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

Energy: 2.3462679443339254
Energy: 1.362201766233185
Energy: 1.6326203082181163
Energy: 1.6327246416905568
Energy: 2.02710522541649
Energy: 1.2789529234059707
Energy: 1.6546936074419747
Energy: 1.2789529234059707
Energy: 1.2673742389480471
Energy: 1.3974643795521984
Energy: 1.6798628300305944
Energy: 1.3974643795504058
Energy: 1.2718249138733106
Energy: 1.3974929437666699
Energy: 1.654432542848084
Energy: 1.3974929437684624
Energy: 1.2788336299677268
Energy: 1.3775567245450877
Energy: 1.7512205886606889
Energy: 1.3775567245450877
Energy: 1.2802843013005907
Energy: 1.2781143989928925
Energy: 1.6708925416515625
Energy: 1.2781143989928925
Energy: 1.2780699983368862
Energy: 1.277167942722627
Energy: 1.67825920790575
Energy: 1.277167942722627
Energy: 1.278186063343246
Energy: 1.2801904321598176
Energy: 2.0267937753306797
Energy: 1.2801904321580253
Energy: 1.6548802149533708
Energy: 1.2779117308704997
Energy: 2.0267569132554595
Energy: 1.2779117308704997
Energy: 1.6787522330723355
Energy: 1.3983513088980177
Energy: 1.6811105831519129
Energy: 1.3983513088980177
Energy: 1.6536708020772264
Energy: 1.3957586798170325
Energy: 1.266501369663249
Energy: 1.3957586798170325
Energy: 1.7534978340893237
Energy: 1.3785428392330532
Energy: 1.6541753680049338
Energy: 1.3785428392330532
Energy: 1.7505163615015562
Energy: 1.2793007533888547
Energy: 1.2795519659364396
Energy: 1.2793007533888547
Energy: 2.030211913518551
Energy: 1.2765315411997484
Energy: 1.276219902329986
Energy: 1.2765315411997484
Energy: 2.0272673853409944
Energy: 1.2788319661888532
Energy: 1.2784920449474322
Energy: 1.2788319661888532

minimum gb energy = 1.266501369663249 eV
minimum distance =  2.22679066415878 Angstroms
sigma value = 13


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

Energy: 2.0828762434553734
Energy: 1.2593702008813485
Energy: 1.6196945091022517
Energy: 1.615483748068097
Energy: 2.0830802597091003
Energy: 1.228209897253832
Energy: 1.4530319475327556
Energy: 1.2282098972508266
Energy: 1.9479044345581769
Energy: 1.2244472277737146
Energy: 1.425136533239366
Energy: 1.2244472277744658
Energy: 1.6089844471053802
Energy: 1.2268791845254756
Energy: 1.4527803747053205
Energy: 1.2268791845247244
Energy: 1.7926824879928136
Energy: 1.3056023448257148
Energy: 1.7955770534919389
Energy: 1.3056023448279686
Energy: 1.4288255624814181
Energy: 1.2273470286329102
Energy: 1.7923901195734944
Energy: 1.2273470286306563
Energy: 1.426763131257526
Energy: 1.2255911301294853
Energy: 2.1146623200888723
Energy: 1.2255911301317393
Energy: 1.2512821932240608
Energy: 1.227229138590917
Energy: 2.1461295526267747
Energy: 1.227229138590166
Energy: 1.2578200379003635
Energy: 1.2542486807249307
Energy: 2.0617760463128034
Energy: 1.254248680723428
Energy: 1.2316754047489324
Energy: 1.2259368615187065
Energy: 2.1179454658685866
Energy: 1.225936861520209
Energy: 1.2257393849549307
Energy: 1.2299271215139393
Energy: 2.0823013916590076
Energy: 1.2299271215184473
Energy: 1.7782874779790732
Energy: 1.2264039690297506
Energy: 2.1170091859383127
Energy: 1.2264039690274968
Energy: 1.7983496637722554
Energy: 1.2950208192923305
Energy: 1.7774492788604825
Energy: 1.2950208192915789
Energy: 1.7957205241369356
Energy: 1.2952016153231003
Energy: 1.609903563906994
Energy: 1.2952016153238515
Energy: 2.1192097794344336
Energy: 1.228829890418492
Energy: 1.6608142445225087
Energy: 1.2288298904230002
Energy: 2.064614638675648
Energy: 1.2272625103691595
Energy: 1.2317879099462086
Energy: 1.227262510370662
Energy: 1.860376787649446
Energy: 1.2266042424428736
Energy: 1.2314891213296604
Energy: 1.2266042424428736
Energy: 2.0145390557866634
Energy: 1.2280101627063296
Energy: 1.2256775052392075
Energy: 1.2280101627085838
Energy: 2.152142843772245
Energy: 1.2250478884462288
Energy: 1.4320405713611721
Energy: 1.225047888449234
Energy: 1.8232182254939016
Energy: 1.2257349386355225
Energy: 1.4202067810009098
Energy: 1.225734938594951
Energy: 1.6278743809180625
Energy: 1.2278173511702908
Energy: 1.4526323114285813
Energy: 1.227817351177804
Energy: 1.8015413114347552
Energy: 1.3020799181281493
Energy: 1.7924337749426889
Energy: 1.3020799181326574
Energy: 1.4358445626174694
Energy: 1.228599762063938
Energy: 1.7948336732636645
Energy: 1.228599762066192
Energy: 1.229238711166853
Energy: 1.2239300390276133
Energy: 2.040068291536576
Energy: 1.2239300390283647
Energy: 1.4065911841892442
Energy: 1.227162907108308
Energy: 2.119014369753812
Energy: 1.2271629070887737
Energy: 1.2600063384246634
Energy: 1.2256750707898225
Energy: 2.0643678828628604
Energy: 1.2256750707890711
Energy: 1.2260601032430247
Energy: 1.2250575249765585
Energy: 2.111668055168531
Energy: 1.2250575249750557
Energy: 1.2258925632718753
Energy: 1.2279937679604978
Energy: 2.0149609911810376
Energy: 1.2279937679650055
Energy: 1.7498539673145284
Energy: 1.2261664075379144
Energy: 2.1569486715229234
Energy: 1.2261664075349088
Energy: 1.4188805921567516
Energy: 1.2960087808735794
Energy: 1.7805794825500254
Energy: 1.2960087808743306
Energy: 1.8048822459423206
Energy: 1.3002234816843394
Energy: 1.6290789273611164
Energy: 1.3002234816843394
Energy: 2.0454014557968927
Energy: 1.2272828998688683
Energy: 1.7500430497624777
Energy: 1.227282899872625
Energy: 2.120745164065229
Energy: 1.2278960581874108
Energy: 1.2267312301451365
Energy: 1.2278960581889133
Energy: 1.8613204997752464
Energy: 1.224882037663758
Energy: 1.2262564854298852
Energy: 1.2248820376607528
Energy: 2.268206155206913
Energy: 1.226826692911878
Energy: 1.2342967794585045
Energy: 1.2268266929141323

minimum gb energy = 1.2239300390276133 eV
minimum distance =  2.21831341182049 Angstroms
sigma value = 37


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

Energy: 1.8208288942288544
Energy: 1.208681666429904
Energy: 1.5473501381483739
Energy: 1.5484485987524357
Energy: 2.1608358509059302
Energy: 1.124108243821493
Energy: 1.4412131262265586
Energy: 1.124108243821493
Energy: 1.7544347396719568
Energy: 1.1229426210574307
Energy: 1.4561197823455556
Energy: 1.1229426210587234
Energy: 1.7803800334439475
Energy: 1.2451481164417442
Energy: 1.4524835440730628
Energy: 1.2451481164417442
Energy: 1.765475396651823
Energy: 1.2499270442678376
Energy: 1.4502257006610926
Energy: 1.2499270442678376
Energy: 1.4533994846805622
Energy: 1.1229786158828554
Energy: 1.6670700405299
Energy: 1.1229786158828554
Energy: 1.1170112234022573
Energy: 1.1229472786914785
Energy: 1.9616227708149268
Energy: 1.1229472786901857
Energy: 1.5472231857726098
Energy: 1.12439239989402
Energy: 1.981200765301093
Energy: 1.1243923998953127
Energy: 1.122838205054045
Energy: 1.1250193540219624
Energy: 1.960310939741592
Energy: 1.1250193540219624
Energy: 1.1239277248134147
Energy: 1.1241286304298272
Energy: 1.9646324688889392
Energy: 1.1241286304298272
Energy: 1.5473304017781937
Energy: 1.5484485987537282
Energy: 1.8208288942288544
Energy: 1.2084479741157141
Energy: 1.4412131262265586
Energy: 1.124108243821493
Energy: 2.1608358509046375
Energy: 1.124108243821493
Energy: 1.4561197823468481
Energy: 1.1229426210587234
Energy: 1.7544347396732496
Energy: 1.1229426210587234
Energy: 1.4524835440730628
Energy: 1.2451481164430367
Energy: 1.7803800334439475
Energy: 1.2451481164417442
Energy: 1.4502257006610926
Energy: 1.2499270442678376
Energy: 1.765475396651823
Energy: 1.2499270442678376
Energy: 1.6670700405311927
Energy: 1.1229786158841482
Energy: 1.4533994846805622
Energy: 1.1229786158828554
Energy: 1.9616227708149268
Energy: 1.1229472786901857
Energy: 1.1170112234022573
Energy: 1.1229472786901857
Energy: 1.9812007652998005
Energy: 1.12439239989402
Energy: 1.547233537936834
Energy: 1.12439239989402
Energy: 1.9603109397428846
Energy: 1.1250193540219624
Energy: 1.122838205054045
Energy: 1.1250193540206699
Energy: 2.0757146785829876
Energy: 1.1241286304311198
Energy: 1.1239277248134147
Energy: 1.1241286304298272

minimum gb energy = 1.1170112234022573 eV
minimum distance =  2.23351893668675 Angstroms
sigma value = 25


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

Energy: 2.1798944521386843
Energy: 1.0732713902688815
Energy: 1.4613552319574132
Energy: 1.4639280219503774
Energy: 2.247515178852862
Energy: 1.001604586081467
Energy: 1.2716103321340144
Energy: 1.001604586081467
Energy: 1.8921787995889552
Energy: 1.0007777030399965
Energy: 1.2609222088532133
Energy: 1.0007777030410059
Energy: 1.5078346984266844
Energy: 1.0029745016476417
Energy: 1.2564917298943663
Energy: 1.0029745016476417
Energy: 1.904733551455063
Energy: 1.6031873653458617
Energy: 1.7126764826802383
Energy: 1.6031873653458617
Energy: 1.5250027924675706
Energy: 1.1003359560252317
Energy: 1.7148319374156324
Energy: 1.1003359560242223
Energy: 1.5112238490369252
Energy: 1.6027425522541592
Energy: 1.9044718730981303
Energy: 1.60274255225315
Energy: 1.2615849835047868
Energy: 1.0029979926404762
Energy: 1.7096647879504163
Energy: 1.0029979926394668
Energy: 1.2691712492830594
Energy: 1.0020923335194398
Energy: 2.07364793571553
Energy: 1.0020923335194398
Energy: 1.2716485085355251
Energy: 1.0016216034242764
Energy: 1.9074226800561687
Energy: 1.0016216034242764
Energy: 1.4612760328026049
Energy: 1.4643393934576028
Energy: 1.857389408204694
Energy: 1.464339393458612
Energy: 1.008398862354772
Energy: 1.001383179488416
Energy: 2.070640536529333
Energy: 1.0013831794894255
Energy: 1.0038892825289611
Energy: 1.0014865769569665
Energy: 2.2411121587380776
Energy: 1.0014865769569665
Energy: 1.4594131755070245
Energy: 1.0057204029410065
Energy: 1.90223656065729
Energy: 1.0057204029420161
Energy: 1.258488317917709
Energy: 1.0020837624256158
Energy: 1.9052553072313818
Energy: 1.00208376096468
Energy: 1.257192686888049
Energy: 1.0007578841389062
Energy: 1.896103600335065
Energy: 1.0007578841368874
Energy: 1.7072196009658773
Energy: 1.3495074213544271
Energy: 1.891229356013073
Energy: 1.3495074213544271
Energy: 1.2547270757191482
Energy: 1.6106953889689437
Energy: 1.7038739415503892
Energy: 1.6106953889689437
Energy: 1.7137044654642766
Energy: 1.601893263504819
Energy: 1.5219742489610033
Energy: 1.601893263504819
Energy: 2.0721330189165044
Energy: 1.3478270160975707
Energy: 1.523352000572682
Energy: 1.3478270160965615
Energy: 1.8588698079412969
Energy: 1.0025753528890755
Energy: 1.2616228526237971
Energy: 1.0025753528890755
Energy: 2.0729602190916774
Energy: 1.280571436523313
Energy: 1.0023411542347243
Energy: 1.2805714365253318
Energy: 2.071258678360634
Energy: 1.0015203395020165
Energy: 1.2710516966975849
Energy: 1.001520339501007
Energy: 1.7636044839065277
Energy: 1.005523470564491
Energy: 1.0009717369505262
Energy: 1.005523470564491
Energy: 2.0715542150727613
Energy: 1.0003412170487251
Energy: 1.0020528721769295
Energy: 1.0003412170477157
Energy: 1.8952170074436212
Energy: 1.0020670078675484
Energy: 1.00218684884834
Energy: 1.0020670078675484

minimum gb energy = 1.0003412170477157 eV
minimum distance =  2.2376601916925 Angstroms
sigma value = 41


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

Energy: 2.03066017653199
Energy: 0.9697128545087562
Energy: 1.3905122788849178
Energy: 1.39117363691083
Energy: 2.1415432687689924
Energy: 0.9097413537178819
Energy: 1.1353004691201527
Energy: 0.9097413537178819
Energy: 1.9913736886274103
Energy: 1.1426721013826229
Energy: 1.1207657784092482
Energy: 1.142672101378485
Energy: 1.7443519344453808
Energy: 0.9085084984964741
Energy: 1.114635911236265
Energy: 0.9085084984956465
Energy: 1.9976891819445486
Energy: 1.4382271092715326
Energy: 1.5163289578454833
Energy: 1.438227109270705
Energy: 1.6677423110501615
Energy: 1.4487742644426098
Energy: 1.5113607933031545
Energy: 1.448774264441782
Energy: 1.6743779879687397
Energy: 1.5041511461126351
Energy: 1.8372235766864753
Energy: 1.5041511461126351
Energy: 1.503998445739721
Energy: 1.2310710038448138
Energy: 1.5335366052969959
Energy: 1.2310710038448138
Energy: 1.3388031371102715
Energy: 1.4428634080852656
Energy: 1.8310609032938077
Energy: 1.4428634080844382
Energy: 1.3412201051260737
Energy: 1.2152039939501789
Energy: 2.143372832572576
Energy: 1.2152039939501789
Energy: 1.124440071849432
Energy: 0.909287768611631
Energy: 1.869556667857548
Energy: 0.909287768611631
Energy: 1.114783435790407
Energy: 1.143767396206718
Energy: 2.1422556502036514
Energy: 1.1437673962058905
Energy: 1.1421098343293912
Energy: 0.9091572648026532
Energy: 2.1432928366624675
Energy: 0.9091572648018257
Energy: 0.9079947322237856
Energy: 0.9119116289571243
Energy: 1.8727000874481674
Energy: 0.9119116289579519
Energy: 0.9115067437884444
Energy: 0.9090284521722367
Energy: 1.998232521086092
Energy: 0.9090284521714093
Energy: 0.9088104296969557
Energy: 0.9089909653400573
Energy: 1.9948927844618323
Energy: 0.9089909653392299
Energy: 1.1189445649107792
Energy: 0.910380667065634
Energy: 1.9878247847202377
Energy: 0.9103806670664616
Energy: 1.1146985042770576
Energy: 1.1432715522334296
Energy: 1.9956946578979071
Energy: 1.1432715522334296
Energy: 1.1155219767205993
Energy: 0.9077213786615353
Energy: 1.7062059803180067
Energy: 0.9077213786607079
Energy: 1.5065115087167336
Energy: 1.216308150568854
Energy: 1.669432489512312
Energy: 1.2163081505680264
Energy: 1.5384476298282708
Energy: 1.4378025617952608
Energy: 1.8359059084924165
Energy: 1.4378025617952608
Energy: 1.5069143861887238
Energy: 1.232471094015522
Energy: 1.6772132229008865
Energy: 1.2324710940163497
Energy: 1.8314538897180002
Energy: 1.498695834066984
Energy: 1.6673643747856572
Energy: 1.498695834066984
Energy: 1.5325911279414455
Energy: 1.2303745631147753
Energy: 1.5028956222699437
Energy: 1.230374563113948
Energy: 1.8387581415883296
Energy: 1.4376633455637622
Energy: 1.3219447806010964
Energy: 1.4376633455637622
Energy: 1.8345451022786845
Energy: 1.2164048525338484
Energy: 1.5025867047580714
Energy: 1.2164048525338484
Energy: 1.8382803444154943
Energy: 1.2175499217089703
Energy: 1.1279908690094416
Energy: 1.2175499217089703
Energy: 1.9979448633104864
Energy: 1.1445104636121626
Energy: 1.1132757802942583
Energy: 1.1445104636154726
Energy: 1.8366473103234924
Energy: 0.9102517741853309
Energy: 1.1203414963492448
Energy: 0.9102517741836756
Energy: 1.8326161267716674
Energy: 0.909318207071735
Energy: 0.9077140449824502
Energy: 0.909318207071735
Energy: 2.1414323636088977
Energy: 0.9077909346565544
Energy: 0.9102564210945813
Energy: 0.9077909346557268
Energy: 1.9872073730369046
Energy: 0.9116676103660927
Energy: 0.9083156064365369
Energy: 0.9116676103660927

minimum gb energy = 0.9077140449824502 eV
minimum distance =  2.24093966907714 Angstroms
sigma value = 15


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

Energy: 1.8003577734961207
Energy: 0.8945599100693773
Energy: 1.3346843045872034
Energy: 1.3329285170059626
Energy: 2.2009143527108264
Energy: 0.8365452992534301
Energy: 1.0332413192232712
Energy: 0.8365452992534301
Energy: 2.060636409983794
Energy: 1.038983429499352
Energy: 1.0178898102315923
Energy: 1.038983429500754
Energy: 1.792368293120428
Energy: 0.8349654957358934
Energy: 1.0085405121865703
Energy: 0.8349654957344914
Energy: 1.9333515624100095
Energy: 1.3015726310262603
Energy: 1.341166801050068
Energy: 1.3015726310255593
Energy: 1.7781559459039336
Energy: 1.3783093300377216
Energy: 1.3553705508689446
Energy: 1.3783093300370204
Energy: 1.5167890246758358
Energy: 1.3896303822312681
Energy: 1.6464935933828397
Energy: 1.3896303822312681
Energy: 1.637222156194389
Energy: 1.3940112475095159
Energy: 1.361301351375288
Energy: 1.394011247508114
Energy: 1.4917436372255095
Energy: 1.3966578698102372
Energy: 1.6356913883404955
Energy: 1.3966578698109384
Energy: 1.4904496158787208
Energy: 1.383327752115001
Energy: 1.9179341191736115
Energy: 1.383327752115001
Energy: 1.3431157923519887
Energy: 1.1188602824783147
Energy: 1.6741257634524942
Energy: 1.1188602824713045
Energy: 1.1831732023127586
Energy: 1.3013827342781383
Energy: 1.9185167626332957
Energy: 1.3013827342774373
Energy: 1.3460496674172453
Energy: 1.10689513318519
Energy: 1.9184249755709861
Energy: 1.1068951331844887
Energy: 1.0198403011936858
Energy: 0.8354378078422375
Energy: 1.6658673521611669
Energy: 0.8354378078422375
Energy: 1.0107749896648213
Energy: 1.0375527147436054
Energy: 2.0644183955629725
Energy: 1.0375527147436054
Energy: 1.0312101016808999
Energy: 0.8363864322756975
Energy: 1.9237828572588436
Energy: 0.8363864322756975
Energy: 0.8355217258719205
Energy: 0.8375888568241802
Energy: 1.9293227316763846
Energy: 0.8375888568255822
Energy: 0.8341629796219535
Energy: 0.8347721505836834
Energy: 2.065111479713844
Energy: 0.8347721505829825
Energy: 0.8355654465054038
Energy: 0.8369922113196484
Energy: 1.7836040824285153
Energy: 0.8369922113168443
Energy: 1.0285003514906719
Energy: 0.8366096307526089
Energy: 2.0667398313254863
Energy: 0.8366096307526089
Energy: 1.0077744518920935
Energy: 1.0373912225552955
Energy: 2.065873520182888
Energy: 1.0373912241633922
Energy: 1.0096289732185968
Energy: 0.8350753600376701
Energy: 1.7884026443741485
Energy: 0.8350753600383712
Energy: 1.3464703712290975
Energy: 1.1072924720699706
Energy: 1.775901651751989
Energy: 1.1072924720692696
Energy: 1.361611479193776
Energy: 1.3043079903389143
Energy: 1.9218915221710697
Energy: 1.3043079903389143
Energy: 1.359133611089611
Energy: 1.1196552231493888
Energy: 1.5429664098569411
Energy: 1.1196552231486878
Energy: 1.6354629819479245
Energy: 1.3831278318009608
Energy: 1.9212039785140513
Energy: 1.3831278318002598
Energy: 1.3414341107796561
Energy: 1.3901998209262678
Energy: 1.6394545078236735
Energy: 1.3901998209269688
Energy: 1.6513392952874864
Energy: 1.3949217048268723
Energy: 1.5429273356807343
Energy: 1.3949217048275735
Energy: 1.639874150555195
Energy: 1.3874688084626676
Energy: 1.6394614500173634
Energy: 1.3874688084619664
Energy: 1.6350298313538365
Energy: 1.140695582191579
Energy: 1.3440989101711738
Energy: 1.140695582190878
Energy: 1.9317216967283506
Energy: 1.3016773065776839
Energy: 1.1834177589793684
Energy: 1.3016773065790859
Energy: 1.6646666201524003
Energy: 1.1091298307497945
Energy: 1.2239441938365936
Energy: 1.1091298307497945
Energy: 1.9196990508160805
Energy: 0.8362055983288285
Energy: 1.0307815636672408
Energy: 0.8362055983288285
Energy: 2.0722682235161756
Energy: 0.8361128399730345
Energy: 1.0318737163364777
Energy: 0.8361128399751377
Energy: 1.9177540073764094
Energy: 0.8426172770216156
Energy: 1.3340695628395816
Energy: 0.8426172770216156
Energy: 2.1905085872141026
Energy: 0.8372910865234758
Energy: 0.8420042610354768
Energy: 0.8372910865234758
Energy: 2.057891532249686
Energy: 0.8368992339082048
Energy: 0.8430299295947843
Energy: 0.8368992339082048

minimum gb energy = 0.8341629796219535 eV
minimum distance =  2.24191106397358 Angstroms
sigma value = 85


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

Energy: 1.9575746306283888
Energy: 0.8675971640817725
Energy: 1.264530635753331
Energy: 1.2622565815218145
Energy: 2.1491905556345574
Energy: 0.7581871218015035
Energy: 0.9180523636148579
Energy: 0.7581871218008955
Energy: 1.9048861029353503
Energy: 0.7589114621256512
Energy: 0.9086578231069626
Energy: 0.7589114621250431
Energy: 1.6486551180515916
Energy: 1.0051062465974727
Energy: 1.2216533916337877
Energy: 1.005106246598081
Energy: 1.970276165410015
Energy: 1.171131105306226
Energy: 1.2004142149321866
Energy: 1.171131105305618
Energy: 1.6506979901305308
Energy: 1.2151636026006705
Energy: 1.2119508683928233
Energy: 1.2151636026000623
Energy: 1.6497029677296053
Energy: 1.2563971320168161
Energy: 1.4635306786823266
Energy: 1.2563971320168161
Energy: 1.7196253018616983
Energy: 1.259107101642393
Energy: 1.2894779153254834
Energy: 1.259107101643001
Energy: 1.6514540781596854
Energy: 1.2726080134227533
Energy: 1.4763096124418273
Energy: 1.2726080134227533
Energy: 1.6534013289870522
Energy: 1.2805565201983364
Energy: 1.7187181012630048
Energy: 1.2805565201971203
Energy: 1.4656506549282047
Energy: 1.2656855787171695
Energy: 1.5340314557099695
Energy: 1.2656855787177774
Energy: 1.4258968292307286
Energy: 1.25507160221694
Energy: 1.7203104746168407
Energy: 1.255071602216332
Energy: 1.4654119623644761
Energy: 1.2519432602441607
Energy: 1.778604031174055
Energy: 1.2519432602453766
Energy: 1.1998331794621224
Energy: 0.9108806246420837
Energy: 1.5324741458662963
Energy: 0.9108806246426917
Energy: 1.1350795981260136
Energy: 1.160202437293203
Energy: 1.9689702349687683
Energy: 1.160202437292595
Energy: 1.2022628373488031
Energy: 0.9126583642116847
Energy: 1.7796317034666143
Energy: 0.9126583642110766
Energy: 0.9066376187533757
Energy: 0.7575396042539646
Energy: 1.77668856422615
Energy: 0.7575396042539646
Energy: 0.9101893349159949
Energy: 0.8848186272327468
Energy: 2.040666340339808
Energy: 0.8848186272333549
Energy: 0.906211710399224
Energy: 0.8843467331723754
Energy: 2.0256245404285957
Energy: 0.8843467331723754
Energy: 0.8318493103947959
Energy: 0.7561636591225517
Energy: 2.0254158384137497
Energy: 0.7561636591225517
Energy: 0.8296789959959134
Energy: 0.845919980442235
Energy: 2.08809812739961
Energy: 0.8459199804434511
Energy: 0.8340839967488105
Energy: 0.7526028814007188
Energy: 1.83888203789649
Energy: 0.7526028813982868
Energy: 0.9927847774565896
Energy: 0.7559484511469533
Energy: 2.086137427843206
Energy: 0.7559484511457373
Energy: 0.9866273916328924
Energy: 0.756101380100584
Energy: 2.088182023440682
Energy: 0.7561013800999759
Energy: 0.9843249125760077
Energy: 0.7568947379938176
Energy: 1.6484139208363027
Energy: 0.7568947379932096
Energy: 1.1965201354567745
Energy: 1.122780778499029
Energy: 2.145567709554386
Energy: 1.1227807784978128
Energy: 1.194968983929547
Energy: 1.1358337733189354
Energy: 1.9049940307275317
Energy: 1.1358337733195434
Energy: 1.1955500661057685
Energy: 1.1216020588245788
Energy: 1.6500651747519621
Energy: 1.1216020588245788
Energy: 1.4642743629801167
Energy: 1.245773850428708
Energy: 1.9136779932758223
Energy: 1.245773850428708
Energy: 1.463734921258834
Energy: 1.2532323673905255
Energy: 1.6516940586377964
Energy: 1.2532323673899175
Energy: 1.622306145894213
Energy: 1.2756929288218235
Energy: 1.4394193836344753
Energy: 1.2756929288218235
Energy: 1.5342750516877413
Energy: 1.2758056788893377
Energy: 1.6919665543386935
Energy: 1.2758056788887298
Energy: 1.7201975600163513
Energy: 1.2696325325653088
Energy: 1.396055552567652
Energy: 1.269632532564701
Energy: 1.969976841436294
Energy: 1.254432848082336
Energy: 1.3972774889246224
Energy: 1.2544328480835523
Energy: 1.5323195382370038
Energy: 1.0112518091152605
Energy: 1.2008201522025008
Energy: 1.0112518091146527
Energy: 1.9701105814880557
Energy: 1.0954154343497244
Energy: 1.2078646256309602
Energy: 1.0954154343503326
Energy: 2.0292546872389887
Energy: 1.004041313305529
Energy: 1.2056958597937746
Energy: 1.004041313305529
Energy: 1.777681547429698
Energy: 0.758188318527841
Energy: 0.9149892142214047
Energy: 0.7581883185266249
Energy: 2.101798309427282
Energy: 0.8497854481484789
Energy: 0.9099615703045987
Energy: 0.8497854481472629
Energy: 2.025366015055649
Energy: 0.7588567559958164
Energy: 0.9176618189076411
Energy: 0.7588567559952083
Energy: 1.7755675980660202
Energy: 0.7570449603258553
Energy: 0.757032417748735
Energy: 0.7570449603264633
Energy: 2.149844927664808
Energy: 0.7574040050939914
Energy: 0.7583093031607064
Energy: 0.7574040050939914
Energy: 1.90184618610697
Energy: 0.7599288807740497
Energy: 0.7593445781397109
Energy: 0.7599288807728336

minimum gb energy = 0.7526028813982868 eV
minimum distance =  2.23652479387059 Angstroms
sigma value = 113


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

Energy: 0.020466031113896017
Energy: 0.021392556702154453
Energy: 1.609438080295546
Energy: 0.6835246067667919
Energy: 0.0236122446836846
Energy: 0.1571971976365961
Energy: 1.0859614410417555
Energy: 0.1571971976370635
Energy: 0.021407424498149807
Energy: 0.15533746522307787
Energy: 1.0847066456390004
Energy: 0.15533746522354525
Energy: 0.0232255633237475
Energy: 0.15518224170069592
Energy: 1.6128275855523262
Energy: 0.15518224170069592
Energy: 1.0846999961801762
Energy: 0.15523034072418992
Energy: 1.083369734023518
Energy: 0.15523034072418992
Energy: 0.021004093974989622
Energy: 0.15533087315173538
Energy: 1.0830567572948477
Energy: 0.1553308731522028

minimum gb energy = 0.020466031113896017 eV
minimum distance =  2.45880009715502 Angstroms
sigma value = 1