Model name: model_name=MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642807338423
mass=26.981538
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=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.338630237806639e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.010353198356672495
Energy: 0.050101984191181906
Energy: 0.49344694377027193
Energy: 0.010812373422281732
Energy: 0.050101984191181906
Energy: 0.48570796753908946
Energy: 0.050101984191181906
Energy: 0.4857079675400637
Energy: 0.49344694377027193
Energy: 0.050101984191181906
Energy: 0.010353198356672495
Energy: 0.050101984191181906
Energy: 0.010812373422281732
Energy: 0.4857079675386163
Energy: 0.050101984191181906
Energy: 0.48570796753908946

minimum gb energy = 0.010353198356672495 eV
minimum distance =  2.73407092783095 Angstroms
sigma value = 1


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

Energy: 0.5763284637459899
Energy: 0.5680034053582032
Energy: 0.56943263744244
Energy: 0.5247523777041235
Energy: 0.5299259838901614
Energy: 0.5580688457905045
Energy: 0.5304731164436838
Energy: 0.5580688457905045
Energy: 0.5684459205271802
Energy: 0.5681325738933863
Energy: 0.5301212253069835
Energy: 0.5681325738927786
Energy: 0.5301087331557078
Energy: 0.5503223271426516
Energy: 0.5306178255316033
Energy: 0.5503223271426516
Energy: 0.5397365202807622
Energy: 0.5494583748292482
Energy: 0.5316025896579398
Energy: 0.5494583748292482
Energy: 0.5302650734406024
Energy: 0.5640143204378251
Energy: 0.5317123207189677
Energy: 0.5640143204378251
Energy: 0.54315153661473
Energy: 0.5658109318793432
Energy: 0.5408551948108001
Energy: 0.5658109318799507
Energy: 0.5435991995871529
Energy: 0.5643304503643438
Energy: 0.5451060148608414
Energy: 0.5643304503643438
Energy: 0.544210583114463
Energy: 0.5525566177022998
Energy: 0.5450140270777559
Energy: 0.5525566177022998
Energy: 0.5582397934632606
Energy: 0.5530410147088123
Energy: 0.5450143256198193
Energy: 0.5530410147088123
Energy: 0.5430468353397799
Energy: 0.5525487997840405
Energy: 0.54573167837934
Energy: 0.5525487997840405
Energy: 0.5434965488373947
Energy: 0.5528293601054546
Energy: 0.5623848999972009
Energy: 0.5528293601048468
Energy: 0.5454711965433667
Energy: 0.5647221975500728
Energy: 0.5354424025373458
Energy: 0.5647221975494652
Energy: 0.5305173625617225
Energy: 0.5633157564165001
Energy: 0.5474823652385138
Energy: 0.5633157564165001
Energy: 0.534892102369217
Energy: 0.549787075359729
Energy: 0.5450650206150569
Energy: 0.5497870753603367
Energy: 0.5237823797154685
Energy: 0.5505854802535579
Energy: 0.530213067736726
Energy: 0.5505854802535579
Energy: 0.5687193877100247
Energy: 0.531154667491562
Energy: 0.5246288249697291
Energy: 0.531154667491562
Energy: 0.5313559794255478
Energy: 0.5494713976547014
Energy: 0.5352002725405094
Energy: 0.5494713976540938
Energy: 0.530835747772644
Energy: 0.5686376734755133
Energy: 0.5696221433114771
Energy: 0.5686376734755133
Energy: 0.5294014984592513
Energy: 0.5496417787879879
Energy: 0.5299464765949352
Energy: 0.5496417787892032
Energy: 0.5325675389334338
Energy: 0.5493533575145991
Energy: 0.5401679572530137
Energy: 0.5493533575145991
Energy: 0.5321040612854254
Energy: 0.5498922642351467
Energy: 0.5301622913060007
Energy: 0.5498922642345391
Energy: 0.5412523389812497
Energy: 0.5650831480057988
Energy: 0.542566230299421
Energy: 0.5650831480057988
Energy: 0.5470901944243086
Energy: 0.5492498495714133
Energy: 0.5416400361380433
Energy: 0.5492498495708058
Energy: 0.5511904422174094
Energy: 0.5533410363891103
Energy: 0.5444804502847191
Energy: 0.5533410363897179
Energy: 0.5455587431292126
Energy: 0.553521607334744
Energy: 0.5594716054523304
Energy: 0.553521607334744
Energy: 0.5455796537213322
Energy: 0.5532980673343393
Energy: 0.5432000187659353
Energy: 0.553298067334947
Energy: 0.5611944441235546
Energy: 0.551768937846066
Energy: 0.5405427129970828
Energy: 0.5517689378466736
Energy: 0.536104644084826
Energy: 0.5646930387586911
Energy: 0.5412520245801414
Energy: 0.5646930387586911
Energy: 0.5464036687379836
Energy: 0.5635252485957255
Energy: 0.5359467915250483
Energy: 0.5635252485963332
Energy: 0.5331813246835788
Energy: 0.5503344825554228
Energy: 0.5350535233557129
Energy: 0.5503344825560303
Energy: 0.5308341685303456
Energy: 0.5502390282138987
Energy: 0.5235276517587808
Energy: 0.5502390282145064
Energy: 0.5245695301351474
Energy: 0.5309908708798526
Energy: 0.5306184240114805
Energy: 0.5309908708798526

minimum gb energy = 0.5235276517587808 eV
minimum distance =  2.53602354497579 Angstroms
sigma value = 1


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

Energy: 0.6103397880042597
Energy: 0.5951688659537725
Energy: 0.5950539460244634
Energy: 0.5469524559409754
Energy: 0.5534895071389551
Energy: 0.5825596381631555
Energy: 0.5535454744078743
Energy: 0.5825596381617698
Energy: 0.5957791179236498
Energy: 0.5954957564289026
Energy: 0.5529825711623069
Energy: 0.5954957564268243
Energy: 0.5523577039507438
Energy: 0.5744598670823704
Energy: 0.5536332858185024
Energy: 0.5744598670823704
Energy: 0.5539459521303927
Energy: 0.5746974688414097
Energy: 0.5538116436045593
Energy: 0.5746974688427954
Energy: 0.5529416942759562
Energy: 0.5929475980392616
Energy: 0.5552269378426337
Energy: 0.5929475980364902
Energy: 0.566594888536595
Energy: 0.5937931940113523
Energy: 0.5659839869055988
Energy: 0.593793194012738
Energy: 0.5678642684024643
Energy: 0.5883992588893865
Energy: 0.5692850140797172
Energy: 0.5883992588893865
Energy: 0.567365614472739
Energy: 0.5836957494667859
Energy: 0.5693402401302271
Energy: 0.5836957494681715
Energy: 0.5676212917710113
Energy: 0.58598415754396
Energy: 0.5673349128895263
Energy: 0.58598415754396
Energy: 0.5598211212646441
Energy: 0.5935822419107502
Energy: 0.5661631033053425
Energy: 0.5935822419107502
Energy: 0.5740133757823539
Energy: 0.5926804417014947
Energy: 0.5534319869750147
Energy: 0.5926804417028803
Energy: 0.5551317043685888
Energy: 0.5746646888592977
Energy: 0.5590374084941435
Energy: 0.5746646888586049
Energy: 0.5534332505706204
Energy: 0.5744889262224808
Energy: 0.5451637797846444
Energy: 0.5744889262252522
Energy: 0.5449389718696156
Energy: 0.5533189615838461
Energy: 0.5944318445831256
Energy: 0.5533189615838461
Energy: 0.5597331478112192
Energy: 0.5745422479777476
Energy: 0.553523251017617
Energy: 0.5745422479777476
Energy: 0.5969892617611314
Energy: 0.5950759250925813
Energy: 0.5538719208489274
Energy: 0.5950759250918886
Energy: 0.5529444571701784
Energy: 0.5533222188418845
Energy: 0.5519648984558556
Energy: 0.5533222188391131
Energy: 0.5544405684449097
Energy: 0.5752972392473885
Energy: 0.5537523159581328
Energy: 0.5752972392487742
Energy: 0.5531998753720121
Energy: 0.5745323952386524
Energy: 0.5559356967545016
Energy: 0.5745323952393452
Energy: 0.5678615778173419
Energy: 0.5943479973047616
Energy: 0.5658144056909551
Energy: 0.5943479973033761
Energy: 0.56701896243339
Energy: 0.5924763927491247
Energy: 0.5676134011887244
Energy: 0.5924763927491247
Energy: 0.5662685669463061
Energy: 0.5841712467545181
Energy: 0.569196546374809
Energy: 0.5841712467531325
Energy: 0.5670521033134881
Energy: 0.583986768617832
Energy: 0.5685887571345474
Energy: 0.583986768617832
Energy: 0.5597200381887497
Energy: 0.5938739163278209
Energy: 0.5669556915058794
Energy: 0.5938739163285138
Energy: 0.5615379514705569
Energy: 0.5926460236855491
Energy: 0.5539455810817445
Energy: 0.5926460236862419
Energy: 0.555709973169953
Energy: 0.5750966125231577
Energy: 0.5590276397207093
Energy: 0.5750966125210792
Energy: 0.5542937766622391
Energy: 0.5750484245460006
Energy: 0.5450362179470131
Energy: 0.5750484245446149
Energy: 0.5452159673210805
Energy: 0.5535093967680114
Energy: 0.5542472152652907
Energy: 0.5535093967673184

minimum gb energy = 0.5449389718696156 eV
minimum distance =  2.53518131015547 Angstroms
sigma value = 25


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

Energy: 0.6340979767164572
Energy: 0.6257959103459052
Energy: 0.6239986048079947
Energy: 0.5699598926729968
Energy: 0.5791416262181674
Energy: 0.6082540040341247
Energy: 0.5786468305539522
Energy: 0.6082540040341247
Energy: 0.6237967051268375
Energy: 0.6239103425718845
Energy: 0.6244448092872992
Energy: 0.6239103425718845
Energy: 0.5770523737544546
Energy: 0.6031513820815356
Energy: 0.5787718321265298
Energy: 0.6031513820815356
Energy: 0.5783853241044052
Energy: 0.6027318298367009
Energy: 0.5789002608913333
Energy: 0.6027318298375065
Energy: 0.5774689724453129
Energy: 0.6333611501775285
Energy: 0.5804392312527992
Energy: 0.6333611501775285
Energy: 0.5885033248504594
Energy: 0.6262236858053353
Energy: 0.5870546751447172
Energy: 0.6262236858053353
Energy: 0.5879859013729872
Energy: 0.6105127586402483
Energy: 0.573241293377349
Energy: 0.6105127586402483
Energy: 0.5882634157152846
Energy: 0.6261674986919884
Energy: 0.5857603948420483
Energy: 0.6261674986919884
Energy: 0.5771649517863242
Energy: 0.6258002930824019
Energy: 0.579247172840943
Energy: 0.6258002930824019
Energy: 0.5665790987134616
Energy: 0.6027224107583804
Energy: 0.5803125572857466
Energy: 0.6027224107583804
Energy: 0.5664348440351653
Energy: 0.6027378115043838
Energy: 0.5785052817802757
Energy: 0.6027378115043838
Energy: 0.6234615774133886
Energy: 0.5765688924718247
Energy: 0.5669155910503072
Energy: 0.5765688924726301
Energy: 0.578859163921988
Energy: 0.6032621188284182
Energy: 0.5858156536215395
Energy: 0.6032621188292235
Energy: 0.5774326121151854
Energy: 0.6239799304258413
Energy: 0.6253588114857472
Energy: 0.6239799304250361
Energy: 0.5758451914363313
Energy: 0.5772810917639365
Energy: 0.5766990741843951
Energy: 0.5772810917639365
Energy: 0.5786448457791358
Energy: 0.602883346553256
Energy: 0.5779852693501977
Energy: 0.602883346553256
Energy: 0.5796711367498375
Energy: 0.6026668237907558
Energy: 0.577538760117866
Energy: 0.6026668237907558
Energy: 0.58746809609843
Energy: 0.6275006472033894
Energy: 0.5768176390330118
Energy: 0.6275006472033894
Energy: 0.5734620833850518
Energy: 0.6256082924116261
Energy: 0.5892922144078675
Energy: 0.6256082924108207
Energy: 0.5856003593913526
Energy: 0.627417089428232
Energy: 0.5880863223603252
Energy: 0.627417089428232
Energy: 0.5855074245658799
Energy: 0.6263317430940191
Energy: 0.5787547446562958
Energy: 0.6263317430940191
Energy: 0.580815025823538
Energy: 0.6030938907893322
Energy: 0.5665167868757063
Energy: 0.6030938907893322
Energy: 0.5789030600632602
Energy: 0.6031774720419155
Energy: 0.5665326257616373
Energy: 0.6031774720419155
Energy: 0.566781646518801
Energy: 0.576621062092095
Energy: 0.5765921112806991
Energy: 0.576621062092095

minimum gb energy = 0.5664348440351653 eV
minimum distance =  2.54167789583941 Angstroms
sigma value = 9


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

Energy: 0.6523942837598672
Energy: 0.6543784183495593
Energy: 0.6537947251497388
Energy: 0.5899130300751626
Energy: 0.5959262541355476
Energy: 0.6319241727998989
Energy: 0.5956733561408979
Energy: 0.6319241727998989
Energy: 0.6535834241773476
Energy: 0.6534168293475137
Energy: 0.5894572641571815
Energy: 0.6534168293484744
Energy: 0.5909263948652977
Energy: 0.6320183371921866
Energy: 0.5958352908273099
Energy: 0.6320183371912258
Energy: 0.5941874199893258
Energy: 0.6317644760164067
Energy: 0.5960351441219809
Energy: 0.6317644760164067
Energy: 0.5983288070312803
Energy: 0.6812119035740718
Energy: 0.597133840721479
Energy: 0.6812119035740718
Energy: 0.5947667835570495
Energy: 0.6679977571101828
Energy: 0.5962136363617059
Energy: 0.6679977571092223
Energy: 0.5961699428432783
Energy: 0.6496355135602179
Energy: 0.6230092080870554
Energy: 0.6496355135602179
Energy: 0.5970093633283234
Energy: 0.6317300486793396
Energy: 0.5846016952839832
Energy: 0.6317300486793396
Energy: 0.5955554761246656
Energy: 0.6318268675667257
Energy: 0.5849104398692633
Energy: 0.6318268675667257
Energy: 0.58429439501514
Energy: 0.5908137326428275
Energy: 0.6535854195681088
Energy: 0.5908137326418667
Energy: 0.5945534857716105
Energy: 0.590985951416657
Energy: 0.5958691105015556
Energy: 0.590985951416657
Energy: 0.656364889043153
Energy: 0.6539016252549789
Energy: 0.589354096340029
Energy: 0.6539016252549789
Energy: 0.5911143175207986
Energy: 0.5909953427440134
Energy: 0.5893483601447537
Energy: 0.5909953427440134
Energy: 0.5943616421287234
Energy: 0.6317562994154706
Energy: 0.5956109498856164
Energy: 0.63175629941451
Energy: 0.5960589293938696
Energy: 0.6318915853045928
Energy: 0.5960262437981363
Energy: 0.6318915853026711
Energy: 0.594755916568619
Energy: 0.6703911569795611
Energy: 0.5961989351635071
Energy: 0.6703911569795611
Energy: 0.5948614589032951
Energy: 0.6703176092995042
Energy: 0.597158577786574
Energy: 0.6703176092995042
Energy: 0.5970150793100288
Energy: 0.6318662906439007
Energy: 0.5845216637747945
Energy: 0.6318662906439007
Energy: 0.5961308383375564
Energy: 0.6320052687195012
Energy: 0.5845257643875147
Energy: 0.6320052687195012
Energy: 0.5842358523584585
Energy: 0.5907260715326728
Energy: 0.5904652747807623
Energy: 0.5907260715326728

minimum gb energy = 0.5842358523584585 eV
minimum distance =  2.56091908294064 Angstroms
sigma value = 25


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

Energy: 0.7027795739198077
Energy: 0.6759618666319085
Energy: 0.6747246771352194
Energy: 0.5943850777677923
Energy: 0.6025130090114601
Energy: 0.6247939687060136
Energy: 0.6031620748578326
Energy: 0.6247939687060136
Energy: 0.6741521364372874
Energy: 0.6745553744181424
Energy: 0.5892014415548713
Energy: 0.6745553744169541
Energy: 0.5916419158845956
Energy: 0.626175017793363
Energy: 0.6037404411195834
Energy: 0.626175017793363
Energy: 0.6013498187959169
Energy: 0.6567329063445397
Energy: 0.6039462692265739
Energy: 0.6567329063445397
Energy: 0.5905505548209209
Energy: 0.6568429213181589
Energy: 0.6028742511119126
Energy: 0.6568429213181589
Energy: 0.5882181774460361
Energy: 0.6567009674524854
Energy: 0.6032107331703914
Energy: 0.6567009674536736
Energy: 0.5882366455094469
Energy: 0.6560273696449367
Energy: 0.6034352683517404
Energy: 0.6560273696449367
Energy: 0.6737468005003756
Energy: 0.5907248638477377
Energy: 0.5878561204086755
Energy: 0.5907248638477377
Energy: 0.6039261119808195
Energy: 0.5907757439057286
Energy: 0.5885181201393243
Energy: 0.5907757439057286
Energy: 0.5892750551001593
Energy: 0.6743600885957663
Energy: 0.6778686503786209
Energy: 0.6743600885969546
Energy: 0.5917939949694344
Energy: 0.6259903462329864
Energy: 0.5904615235562641
Energy: 0.6259903462329864
Energy: 0.6025852878230136
Energy: 0.6565316103734705
Energy: 0.6008059060706101
Energy: 0.6565316103746587
Energy: 0.6033322437097817
Energy: 0.6559403876396313
Energy: 0.5915496054539628
Energy: 0.6559403876396313
Energy: 0.6024722091583332
Energy: 0.6558742900269725
Energy: 0.5882519064602836
Energy: 0.6558742900281606
Energy: 0.6026896454837095
Energy: 0.6572268330260445
Energy: 0.5889391518475011
Energy: 0.6572268330260445
Energy: 0.590915925896803
Energy: 0.5905618542980665
Energy: 0.5920168553814045
Energy: 0.5905618542980665

minimum gb energy = 0.5878561204086755 eV
minimum distance =  2.62856490090743 Angstroms
sigma value = 17


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

Energy: 1.004028536522902
Energy: 0.7384025033020015
Energy: 0.7388599516508492
Energy: 0.6925678234747138
Energy: 0.620663414789191
Energy: 0.6331431257628856
Energy: 0.638097072933261
Energy: 0.6331431257628856
Energy: 0.6469554575722485
Energy: 0.645869729485147
Energy: 0.67436551344687
Energy: 0.6458697294844739
Energy: 0.6376271623393949
Energy: 0.6576696381562388
Energy: 0.6378296954362204
Energy: 0.6576696381555659
Energy: 0.6371870026188086
Energy: 0.6861215072497484
Energy: 0.5991116222660318
Energy: 0.6861215072497484
Energy: 0.638380776167383
Energy: 0.6851339282141332
Energy: 0.6372362912182682
Energy: 0.6851339282141332
Energy: 0.6738419721838403
Energy: 0.6368692367849051
Energy: 0.6472685354154488
Energy: 0.6368692367849051
Energy: 0.6793235614789901
Energy: 0.6374355052797005
Energy: 0.6182392721162964
Energy: 0.6374355052790276
Energy: 0.6963400027373228
Energy: 0.7383086477182268
Energy: 0.674297383825043
Energy: 0.7383086477175539
Energy: 0.6883683965897553
Energy: 0.6686202527434367
Energy: 0.6389085721142778
Energy: 0.6686202527434367
Energy: 0.6373119175545714
Energy: 0.6309922889737611
Energy: 0.608457100251089
Energy: 0.630992288973088
Energy: 0.6765699111430403
Energy: 0.6293723997490676
Energy: 0.6176100959589318
Energy: 0.6293723997490676
Energy: 0.6743986887530512
Energy: 0.6296427001771701
Energy: 0.6292149810440235
Energy: 0.6296427001758242
Energy: 0.6757519980449022
Energy: 0.6297244917760407
Energy: 0.609071757464831
Energy: 0.6297244917760407
Energy: 0.6899394104137463
Energy: 0.674530671648746
Energy: 0.6732865683633349
Energy: 0.674530671648746
Energy: 0.638310600692274
Energy: 0.675222879540088
Energy: 0.673231822286215
Energy: 0.6752228795394151
Energy: 0.674297958224518
Energy: 0.6378729624166379
Energy: 0.6090055479615009
Energy: 0.6378729624166379
Energy: 0.6744474547863475
Energy: 0.6379353128606305
Energy: 0.6459262095836844
Energy: 0.6379353128606305
Energy: 0.6396616337251073
Energy: 0.6865295834682456
Energy: 0.6377819494200315
Energy: 0.6865295834682456
Energy: 0.65727594291877
Energy: 0.6859925165350365
Energy: 0.6373070416998716
Energy: 0.6859925165357093
Energy: 0.6409619167538203
Energy: 0.6789530198654219
Energy: 0.6753093661083819
Energy: 0.6789530198647489
Energy: 0.6461110616621909
Energy: 0.645779331424862
Energy: 0.673487536715434
Energy: 0.645779331424862
Energy: 0.6383840878296235
Energy: 0.6667294558627472
Energy: 0.6511033239041172
Energy: 0.6667294558627472
Energy: 0.6740838603716011
Energy: 0.7381048660918652
Energy: 0.7373782557739794
Energy: 0.7381048660918652
Energy: 0.6192851174524139
Energy: 0.6293944942659501
Energy: 0.6754475413856851
Energy: 0.6293944942659501
Energy: 0.6180905264947703
Energy: 0.6296227780747822
Energy: 0.6364891237575377
Energy: 0.6296227780747822
Energy: 0.6092030830649842
Energy: 0.609954836333589
Energy: 0.6749935618572511
Energy: 0.6099548363329163
Energy: 0.6115382280814048
Energy: 0.6298800278012955
Energy: 0.6736370149025146
Energy: 0.6298800278012955
Energy: 0.6208709525169303
Energy: 0.6295251100663319
Energy: 0.67407881316628
Energy: 0.6295251100663319
Energy: 0.6732673628899852
Energy: 0.7379536777832318
Energy: 0.7383428894777836
Energy: 0.7379536777845777

minimum gb energy = 0.5991116222660318 eV
minimum distance =  2.55792635204719 Angstroms
sigma value = 53


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

Energy: 0.8858755992690183
Energy: 0.6651013538884211
Energy: 0.6661192959747114
Energy: 0.5624443322476488
Energy: 0.6883638689424897
Energy: 0.585430655626732
Energy: 0.6893300274139454
Energy: 0.585430655626732
Energy: 0.6652437374854758
Energy: 0.6653065115982625
Energy: 0.7181586195328366
Energy: 0.6653065115967132
Energy: 0.6881627609618577
Energy: 0.5862945220214945
Energy: 0.6875377636206733
Energy: 0.5862945220214945
Energy: 0.6983996522254059
Energy: 0.5855702695733924
Energy: 0.5527221359188155
Energy: 0.5855702695749416
Energy: 0.6870729077823579
Energy: 0.5867488636458964
Energy: 0.5530140848621157
Energy: 0.5867488636458964
Energy: 0.8163840987149285
Energy: 0.6647369313008793
Energy: 0.6639859790610271
Energy: 0.6647369312993302
Energy: 0.8167385614169109
Energy: 0.5866294398867958
Energy: 0.6870753887777017
Energy: 0.5866294398867958
Energy: 0.6655002427940166
Energy: 0.6653911136581669
Energy: 0.7180682574108368
Energy: 0.6653911136581669
Energy: 0.6871874190371112
Energy: 0.585998073248958
Energy: 0.6871781078550057
Energy: 0.585998073248958
Energy: 0.6982781393834381
Energy: 0.5866289178034461
Energy: 0.553053964932419
Energy: 0.5866289178034461
Energy: 0.6895661606710657
Energy: 0.586011937507997
Energy: 0.5550670432991973
Energy: 0.586011937507997
Energy: 0.8168139358858542
Energy: 0.5866596763538733
Energy: 0.686801663622815
Energy: 0.5866596763538733

minimum gb energy = 0.5527221359188155 eV
minimum distance =  2.6139237937726 Angstroms
sigma value = 9


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

Energy: 0.8469384184736608
Energy: 0.7657344592430398
Energy: 0.766313359798933
Energy: 0.7282375772974439
Energy: 0.6229011268184442
Energy: 0.6217875194747778
Energy: 0.741752058237323
Energy: 0.6217875194747778
Energy: 0.6289915180970244
Energy: 0.633672375955458
Energy: 0.7850104573083951
Energy: 0.6336723759560314
Energy: 0.6259895701912647
Energy: 0.6220085175552558
Energy: 0.7723341413277992
Energy: 0.6220085175552558
Energy: 0.6267582736446516
Energy: 0.621973990129885
Energy: 0.7227746409257028
Energy: 0.6219739901304583
Energy: 0.6499541005674717
Energy: 0.6217268602998446
Energy: 0.7218846547050198
Energy: 0.6217268602998446
Energy: 0.8612760714100398
Energy: 0.770206485625047
Energy: 0.7684695616515863
Energy: 0.7702064856244737
Energy: 0.7755767359225364
Energy: 0.6908397359608307
Energy: 0.7642065135708379
Energy: 0.6908397359596841
Energy: 0.663424547658666
Energy: 0.7541662840553292
Energy: 0.6686953736262403
Energy: 0.7541662840559025
Energy: 0.6138253786712994
Energy: 0.6688782667449797
Energy: 0.6895685423580524
Energy: 0.6688782667444064
Energy: 0.6664091651793758
Energy: 0.6762228783452658
Energy: 0.7563224409140367
Energy: 0.6762228783452658
Energy: 0.6795905504780416
Energy: 0.6781831822459873
Energy: 0.8486339932894127
Energy: 0.6781831822459873
Energy: 0.7334827620465475
Energy: 0.6862943385083152
Energy: 0.6734928457359772
Energy: 0.6862943385083152
Energy: 0.7550268831969251
Energy: 0.6693889911005568
Energy: 0.6816727694774379
Energy: 0.6693889910994101
Energy: 0.7651972501066395
Energy: 0.6758548562262193
Energy: 0.6324053607039255
Energy: 0.6758548562267926
Energy: 0.7227350011812312
Energy: 0.6762996798352454
Energy: 0.6318361189019288
Energy: 0.6762996798358187
Energy: 0.6901323029080765
Energy: 0.6756957716521298
Energy: 0.6712643550572758
Energy: 0.6756957716527032
Energy: 0.7655992876840132
Energy: 0.7658149481180482
Energy: 0.8472487828912648
Energy: 0.7658149481180482
Energy: 0.7564945643967315
Energy: 0.6222333893628249
Energy: 0.661161554526829
Energy: 0.6222333893628249
Energy: 0.7847497352450734
Energy: 0.6370463615299267
Energy: 0.621219509614657
Energy: 0.6370463615299267
Energy: 0.771437470962103
Energy: 0.6227202884997834
Energy: 0.6241512194815981
Energy: 0.6227202884997834
Energy: 0.7219830641921917
Energy: 0.6218050205672965
Energy: 0.6253508397741349
Energy: 0.6218050205672965
Energy: 0.7225288351605805
Energy: 0.6219212301647093
Energy: 0.6486804091988396
Energy: 0.6219212301641359
Energy: 0.7684120432754941
Energy: 0.6615868708213126
Energy: 0.7876307227809283
Energy: 0.6615868708190191
Energy: 0.7663843600859204
Energy: 0.6918018625045453
Energy: 0.733720046697227
Energy: 0.6918018625045453
Energy: 0.6698761555683231
Energy: 0.6882702788006816
Energy: 0.6659087014130786
Energy: 0.6882702788001082
Energy: 0.6891004482918185
Energy: 0.6687299232334146
Energy: 0.6133875387615201
Energy: 0.668729923233988
Energy: 0.7287386386034895
Energy: 0.6834526450398243
Energy: 0.665695771572868
Energy: 0.6834526450398243
Energy: 0.8474867380454046
Energy: 0.6793865905920721
Energy: 0.6909531934236925
Energy: 0.6793865905920721
Energy: 0.691691703400248
Energy: 0.6861670711877611
Energy: 0.7755645092730322
Energy: 0.6861670711883348
Energy: 0.6826250348212282
Energy: 0.6785857130511612
Energy: 0.7865856588212954
Energy: 0.6785857130528815
Energy: 0.6386119458737295
Energy: 0.6855262763949012
Energy: 0.7668722170709729
Energy: 0.6855262763949012
Energy: 0.6321701296319504
Energy: 0.6764518583264746
Energy: 0.7234454479123849
Energy: 0.676451858327048
Energy: 0.6700780041195022
Energy: 0.6758335605114143
Energy: 0.6470033357419747
Energy: 0.6758335605119877
Energy: 0.8480444879205996
Energy: 0.7655674455431821
Energy: 0.7654952752181834
Energy: 0.7655674455431821

minimum gb energy = 0.6133875387615201 eV
minimum distance =  2.53796668459571 Angstroms
sigma value = 73


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

Energy: 0.8878444750776616
Energy: 0.7201002254919349
Energy: 0.7215590316452533
Energy: 0.6685493235714776
Energy: 0.6353295099700791
Energy: 0.6360420061793629
Energy: 0.6707022142444127
Energy: 0.6360420061793629
Energy: 0.6314433484024738
Energy: 0.6336000402315991
Energy: 0.7489524889185575
Energy: 0.6336000402306894
Energy: 0.6309672731993736
Energy: 0.6311208880621642
Energy: 0.6788939152806951
Energy: 0.6311208880621642
Energy: 0.6402673892508669
Energy: 0.6374100112477578
Energy: 0.7654319958348974
Energy: 0.6374100112477578
Energy: 0.6539565749854063
Energy: 0.6381842200258516
Energy: 0.7684986965301028
Energy: 0.6381842200267615
Energy: 0.6694139064009428
Energy: 0.7720321053604355
Energy: 0.7607397137647698
Energy: 0.7720321053595258
Energy: 0.678228881694912
Energy: 0.6904401015690275
Energy: 0.6141456593296343
Energy: 0.6904401015690275
Energy: 0.6569312047182407
Energy: 0.7415470513894103
Energy: 0.7529839545063498
Energy: 0.7415470513894103
Energy: 0.6600762573820194
Energy: 0.696061199126458
Energy: 0.630975036864396
Energy: 0.6960611991246387
Energy: 0.6783037443266727
Energy: 0.6350604159002757
Energy: 0.6139340454426803
Energy: 0.6350604159002757
Energy: 0.6594791959903632
Energy: 0.6220188069914804
Energy: 0.792002928849238
Energy: 0.6220188069905707
Energy: 0.7108217781535674
Energy: 0.6639542985558246
Energy: 0.6343142676710184
Energy: 0.6639542985567344
Energy: 0.7514502821230564
Energy: 0.6862867180301846
Energy: 0.6690694098292552
Energy: 0.6862867180301846
Energy: 0.6673449830647243
Energy: 0.6765950305213586
Energy: 0.6308309981078926
Energy: 0.6765950305204489
Energy: 0.7653761333726384
Energy: 0.6715444308690628
Energy: 0.6722905659976528
Energy: 0.6715444308690628
Energy: 0.6706002477932846
Energy: 0.6730969783008961
Energy: 0.6826007330238254
Energy: 0.6730969783008961
Energy: 0.741045351548139
Energy: 0.732638558043181
Energy: 0.7794546744349062
Energy: 0.7326385580440907
Energy: 0.6341346018964606
Energy: 0.667455794489871
Energy: 0.673701818048866
Energy: 0.6674557944907807
Energy: 0.713977351183251
Energy: 0.6647253050421864
Energy: 0.6684907805489544
Energy: 0.6647253050412766
Energy: 0.6338285056837898
Energy: 0.6888632100428832
Energy: 0.6617695141746754
Energy: 0.6888632100428832
Energy: 0.8262288521487011
Energy: 0.665054681708083
Energy: 0.7357229593571373
Energy: 0.6650546817071941

minimum gb energy = 0.6139340454426803 eV
minimum distance =  2.53820168260607 Angstroms
sigma value = 7


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

Energy: 1.0220636762903346
Energy: 0.7207448230789194
Energy: 0.7202227731937527
Energy: 0.631407622146688
Energy: 0.6269627863113371
Energy: 0.6250561249106141
Energy: 0.6457872981605723
Energy: 0.6250561249106141
Energy: 0.6256293862666189
Energy: 0.6260716076837111
Energy: 0.690360168378184
Energy: 0.6260716076824245
Energy: 0.6255225690789741
Energy: 0.6255854818550756
Energy: 0.6264836353661416
Energy: 0.6255854818576487
Energy: 0.6283746680044191
Energy: 0.6343056537231389
Energy: 0.7541780789138487
Energy: 0.6343056537244255
Energy: 0.6277748817951357
Energy: 0.6269003942966408
Energy: 0.7554537517960318
Energy: 0.6269003942972841
Energy: 0.7690550866803751
Energy: 0.6257817810236611
Energy: 0.6252711769825612
Energy: 0.6257817810249477
Energy: 0.623884271955112
Energy: 0.6271988965488722
Energy: 0.6527877378043727
Energy: 0.6271988965501588
Energy: 0.6256780163624682
Energy: 0.6256777283697528
Energy: 0.6296939945822284
Energy: 0.6256777283684661
Energy: 0.7500483050875235
Energy: 0.646055953248024
Energy: 0.6296662508414466
Energy: 0.6460559532473809
Energy: 0.6252322780022505
Energy: 0.6588419644235703
Energy: 0.6237954349242327
Energy: 0.6588419644222838
Energy: 0.722843193351623
Energy: 0.7046205097280244
Energy: 0.7680814969278106
Energy: 0.7046205097286676
Energy: 0.6966699534169097
Energy: 0.6563026067573547
Energy: 0.6310076407998657
Energy: 0.656302606757998
Energy: 0.6947008933562043
Energy: 0.6564221292712158
Energy: 0.6313903773561814
Energy: 0.6564221292705726
Energy: 0.634314720392436
Energy: 0.6564461103149316
Energy: 0.6353196384528025
Energy: 0.6564461103149316
Energy: 0.7859688369694571
Energy: 0.7046005505738421
Energy: 0.7220342163208253
Energy: 0.7046005505719122
Energy: 0.6700207531122461
Energy: 0.6590314241265931
Energy: 0.7058365003135564
Energy: 0.6590314241265931
Energy: 0.6299714240607204
Energy: 0.69871147241594
Energy: 0.6895991969260832
Energy: 0.6987114724165833
Energy: 0.62948457252741
Energy: 0.625723660403037
Energy: 0.6470536248952464
Energy: 0.6257236604043235
Energy: 0.6533538995545949
Energy: 0.626827136989846
Energy: 0.6313948665269602
Energy: 0.6268271369904893
Energy: 0.6253917003751125
Energy: 0.626121239422084
Energy: 0.7524106820924475
Energy: 0.6261212394233706
Energy: 0.7725344176983978
Energy: 0.6330779616754713
Energy: 0.6299222041262618
Energy: 0.633077961677401
Energy: 0.7718328702146353
Energy: 0.6342672324456892
Energy: 0.627661729849768
Energy: 0.6342672324456892
Energy: 0.6266094080528358
Energy: 0.6248696929042481
Energy: 0.6255422850280553
Energy: 0.6248696929061779
Energy: 0.7508413210951672
Energy: 0.6262003641250348
Energy: 0.6266689959820767
Energy: 0.6262003641237481
Energy: 0.689099315785174
Energy: 0.6259232752179242
Energy: 0.6270316666487444
Energy: 0.6259232752166376
Energy: 0.7201980855898159
Energy: 0.7204407881417757
Energy: 0.8848667977673054
Energy: 0.7204407881411325
Energy: 0.6283692266981928
Energy: 0.6572179886960624
Energy: 0.6325265473848659
Energy: 0.657217988695419
Energy: 0.6909275990307064
Energy: 0.657358445444693
Energy: 0.6264884426524621
Energy: 0.657358445444693
Energy: 0.6271162037740473
Energy: 0.6317219115551127
Energy: 0.6308472218802876
Energy: 0.6317219115551127
Energy: 0.78669617711335
Energy: 0.6566576560723869
Energy: 0.7266565730160477
Energy: 0.6566576560743168

minimum gb energy = 0.6237954349242327 eV
minimum distance =  2.53911393425797 Angstroms
sigma value = 29


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

Energy: 0.5605218046108504
Energy: 0.6910860979767135
Energy: 0.6636174226239155
Energy: 0.5608489482940244
Energy: 0.7013903658211431
Energy: 0.6184952853223703
Energy: 0.5697133637895191
Energy: 0.6184952853223703
Energy: 0.665053874103121
Energy: 0.5972269737380979
Energy: 0.5664326064410145
Energy: 0.5972269737380979
Energy: 0.5607143069519183
Energy: 0.5693699392746778
Energy: 0.5714867076971542
Energy: 0.5693699392744537
Energy: 0.6633726989801877
Energy: 0.5694904612561493
Energy: 0.5605962633866195
Energy: 0.5694904612559252
Energy: 0.5704499719614162
Energy: 0.5954479595668023
Energy: 0.5605908382658024
Energy: 0.5954479595665781
Energy: 0.5660552425110664
Energy: 0.5975049142651211
Energy: 0.6647028130600672
Energy: 0.5975049142651211
Energy: 0.569330485153557
Energy: 0.5697676462126662
Energy: 0.5608880814632551
Energy: 0.569767646212467
Energy: 0.5609171594093493
Energy: 0.5696786135019479
Energy: 0.570465107977303
Energy: 0.5696786135023961

minimum gb energy = 0.5605218046108504 eV
minimum distance =  2.58156291231185 Angstroms
sigma value = 5


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

Energy: 0.7747996580965316
Energy: 0.6955943822549544
Energy: 0.6971763251236589
Energy: 0.5830948839741886
Energy: 0.627967261876544
Energy: 0.58396391640778
Energy: 0.6425501640615588
Energy: 0.58396391640778
Energy: 0.644164611535377
Energy: 0.5879000807069966
Energy: 0.6853812553689721
Energy: 0.5879000807063891
Energy: 0.590765804095742
Energy: 0.5837935590286317
Energy: 0.6552638726831866
Energy: 0.5837935590292395
Energy: 0.6171727258863565
Energy: 0.6085239405195552
Energy: 0.689600534775718
Energy: 0.6085239405195552
Energy: 0.6086883318544948
Energy: 0.6083919360971516
Energy: 0.6898937788735366
Energy: 0.6083919360965439
Energy: 0.5845689912962622
Energy: 0.5848422821200362
Energy: 0.6554113275810228
Energy: 0.5848422821200362
Energy: 0.5840459136517576
Energy: 0.5843809229951035
Energy: 0.7774131794706465
Energy: 0.5843809229951035
Energy: 0.6144631171338246
Energy: 0.6678745045913707
Energy: 0.6647911643047453
Energy: 0.6678745045919784
Energy: 0.6821179606416963
Energy: 0.5788771127123866
Energy: 0.5902644724340677
Energy: 0.5788771127111714
Energy: 0.6142112117967026
Energy: 0.5787336089175434
Energy: 0.5812501169730808
Energy: 0.5787336089175434
Energy: 0.7838378719456874
Energy: 0.5788527166867822
Energy: 0.5787930168346903
Energy: 0.5788527166867822
Energy: 0.779885068427328
Energy: 0.6676763251807385
Energy: 0.5785526577781446
Energy: 0.667676325181346
Energy: 0.6246235110265247
Energy: 0.6669616683686456
Energy: 0.6868657267115386
Energy: 0.6669616683686456
Energy: 0.5863144867745634
Energy: 0.6053920505559043
Energy: 0.6898713111657421
Energy: 0.6053920505559043
Energy: 0.5884490592849182
Energy: 0.5845245311364824
Energy: 0.6280941005163566
Energy: 0.5845245311364824
Energy: 0.6963203347007736
Energy: 0.5848106542344685
Energy: 0.592463942044964
Energy: 0.5848106542338609
Energy: 0.6428254846035296
Energy: 0.583861814671434
Energy: 0.5895637423384129
Energy: 0.583861814671434
Energy: 0.6833046447428142
Energy: 0.6187659372782517
Energy: 0.641941134813866
Energy: 0.6187659372788592
Energy: 0.6563092456775982
Energy: 0.5843754828296983
Energy: 0.5888021956465643
Energy: 0.5843754828296983
Energy: 0.6903403294751618
Energy: 0.6121440209252041
Energy: 0.6543505254527976
Energy: 0.6121440209258118
Energy: 0.6860234730784068
Energy: 0.5842690082406625
Energy: 0.6100376088509664
Energy: 0.5842690082400548
Energy: 0.6557972829527854
Energy: 0.5841050008786182
Energy: 0.5858691695550645
Energy: 0.5841050008780105
Energy: 0.7805441723491607
Energy: 0.5843060023615696
Energy: 0.5843687525720678
Energy: 0.5843060023621772
Energy: 0.6649833604931864
Energy: 0.6674962271968872
Energy: 0.6138104542585082
Energy: 0.6674962271968872
Energy: 0.5914390612684308
Energy: 0.5793265291676801
Energy: 0.6819707603769947
Energy: 0.5793265291676801
Energy: 0.5937628369372617
Energy: 0.5786104487867012
Energy: 0.614700927133039
Energy: 0.5786104487867012
Energy: 0.5794204376765626
Energy: 0.5810966966360096
Energy: 0.5907487579318632
Energy: 0.5810966966366171
Energy: 0.5785767335684014
Energy: 0.5783719059818374
Energy: 0.7768090745486683
Energy: 0.5783719059818374
Energy: 0.6908715843453694
Energy: 0.666842423220318
Energy: 0.6143930436054729
Energy: 0.6668424232197103
Energy: 0.6911009986144279
Energy: 0.6038725623925445
Energy: 0.5866277089671337
Energy: 0.6038725623931522
Energy: 0.6287394058854555
Energy: 0.5842750329811387
Energy: 0.5858803787235681
Energy: 0.5842750329811387
Energy: 0.5909508118687915
Energy: 0.5842250497852455
Energy: 0.6958547690956424
Energy: 0.5842250497852455

minimum gb energy = 0.5783719059818374 eV
minimum distance =  2.53060166196177 Angstroms
sigma value = 1


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

Energy: 0.8205548528337572
Energy: 0.6801694056798183
Energy: 0.6815654117043312
Energy: 0.5630256328644059
Energy: 0.5580941215145223
Energy: 0.5585051871235757
Energy: 0.6397935707441054
Energy: 0.5585051871235757
Energy: 0.6402676914235941
Energy: 0.5581523128729177
Energy: 0.6956121884248146
Energy: 0.5581523128720776
Energy: 0.5655592515496797
Energy: 0.5586922500605073
Energy: 0.654315056143766
Energy: 0.5586922500605073
Energy: 0.5589142610256781
Energy: 0.5587471044115433
Energy: 0.6383830042427514
Energy: 0.5587471044115433
Energy: 0.5590389070258212
Energy: 0.5586496444407831
Energy: 0.6384984643074606
Energy: 0.5586496444407831
Energy: 0.5577619365720075
Energy: 0.5576895855891325
Energy: 0.6519851314417558
Energy: 0.5576895855882922
Energy: 0.5586572344697173
Energy: 0.5584069629867126
Energy: 0.8248230054137856
Energy: 0.5584069629875527
Energy: 0.6520392861550035
Energy: 0.590083586171796
Energy: 0.6779366636905163
Energy: 0.5900835861709557
Energy: 0.6923469651293434
Energy: 0.559386330475984
Energy: 0.5581172087697697
Energy: 0.5593863304768242
Energy: 0.652093305049505
Energy: 0.5583924086257941
Energy: 0.558162064660631
Energy: 0.5583924086241138
Energy: 0.6761774980906655
Energy: 0.5586863064667633
Energy: 0.5589346178959914
Energy: 0.5586863064676036
Energy: 0.8255870393037985
Energy: 0.5583129203769243
Energy: 0.5654277290586827
Energy: 0.5583129203777643
Energy: 0.6555253509235058
Energy: 0.5586087001049331
Energy: 0.640008540676823
Energy: 0.5586087001057543
Energy: 0.5624043116513465
Energy: 0.5582599115181562
Energy: 0.6416531362126994
Energy: 0.558259911517316
Energy: 0.5624556387853529
Energy: 0.5585676720855866
Energy: 0.6226755030605917
Energy: 0.5585676720855866
Energy: 0.6810828709981034
Energy: 0.5587008814751965
Energy: 0.6957072172999852
Energy: 0.5587008814751965
Energy: 0.5660899499256419
Energy: 0.5589172897883607
Energy: 0.6506957771168455
Energy: 0.5589172897892009
Energy: 0.5584768424108236
Energy: 0.559454895209051
Energy: 0.6781594690422654
Energy: 0.5594548952073706
Energy: 0.5592891475308707
Energy: 0.5860630323002773
Energy: 0.82349722267261
Energy: 0.5860630323011174
Energy: 0.6400311423759083
Energy: 0.591354942058429
Energy: 0.6226362317012182
Energy: 0.591354942058429
Energy: 0.6383572048901893
Energy: 0.585248311059695
Energy: 0.5587174627873054
Energy: 0.5852483110605352
Energy: 0.6520392078068257
Energy: 0.55774864284709
Energy: 0.5592645115536853
Energy: 0.55774864284709
Energy: 0.8250935058522229
Energy: 0.5581002572738579
Energy: 0.5594951048341932
Energy: 0.5581002572738579

minimum gb energy = 0.5576895855882922 eV
minimum distance =  2.53376536633918 Angstroms
sigma value = 17


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

Energy: 0.8712185719163206
Energy: 0.6801389099021222
Energy: 0.6815323496509551
Energy: 0.5566877502011282
Energy: 0.5542838451242521
Energy: 0.55207602483652
Energy: 0.6234286871875859
Energy: 0.5520760248354813
Energy: 0.6828739672895083
Energy: 0.5521094579600749
Energy: 0.6356250994962291
Energy: 0.5521094579595557
Energy: 0.7112777205979272
Energy: 0.5492433042355016
Energy: 0.6055626211733242
Energy: 0.5492433042365402
Energy: 0.5975273495061376
Energy: 0.5491128065148972
Energy: 0.6701611415569172
Energy: 0.5491128065164079
Energy: 0.5493313597826348
Energy: 0.5488998316162903
Energy: 0.6702494038008753
Energy: 0.5488998316162903
Energy: 0.5493117394673486
Energy: 0.5483943929186826
Energy: 0.6053788433986026
Energy: 0.5483943929181633
Energy: 0.5546906378218511
Energy: 0.548587788364048
Energy: 0.8703361411069679
Energy: 0.5485877883645672
Energy: 0.6756689271245532
Energy: 0.5487857263763181
Energy: 0.6813629507703362
Energy: 0.5487857263763181
Energy: 0.6322646877759546
Energy: 0.578463655449841
Energy: 0.6032961316838761
Energy: 0.5784636554508795
Energy: 0.6736306585546026
Energy: 0.5526148333578809
Energy: 0.5546542162978972
Energy: 0.5526148333584003
Energy: 0.6697263748937284
Energy: 0.5705830281719578
Energy: 0.6143668900991439
Energy: 0.5705830281719578
Energy: 0.7002056783394189
Energy: 0.5523867767867425
Energy: 0.5527547932778485
Energy: 0.552386776786223
Energy: 0.6421845629745798
Energy: 0.5522545129704968
Energy: 0.5541750536481415
Energy: 0.5522545129699776
Energy: 0.7166090358483691
Energy: 0.5524065537500399
Energy: 0.5574522441597105
Energy: 0.5524065537505591
Energy: 0.7073218562041961
Energy: 0.5685218533973696
Energy: 0.5571488355079626
Energy: 0.5685218533973696
Energy: 0.5536812969083824
Energy: 0.5528634368533429
Energy: 0.7904277695711011
Energy: 0.5528634368549009
Energy: 0.554905986805596
Energy: 0.5524821929292405
Energy: 0.6774952429845696
Energy: 0.5524821929287212
Energy: 0.5613336466687028
Energy: 0.5528414407565595
Energy: 0.6804765702557948
Energy: 0.5528414407565595
Energy: 0.6827973505561472
Energy: 0.5531249129914646
Energy: 0.8711863582911397
Energy: 0.5531249129940612
Energy: 0.6230769850293375
Energy: 0.5520094288650416
Energy: 0.6422848441674823
Energy: 0.5520094288655608
Energy: 0.6379625480817698
Energy: 0.5519446107247378
Energy: 0.6839125595746769
Energy: 0.5519446107257765
Energy: 0.61452692053201
Energy: 0.5483828324155107
Energy: 0.7166886033790606
Energy: 0.54838283241603
Energy: 0.725193318201489
Energy: 0.5488041686849952
Energy: 0.5488125548849789
Energy: 0.5488041686855146
Energy: 0.6707414729919667
Energy: 0.5489708906086168
Energy: 0.5492316906409933
Energy: 0.5489708906091361
Energy: 0.6044962077491534
Energy: 0.5486462896321678
Energy: 0.551408001214186
Energy: 0.548646289632687
Energy: 0.8706057657841756
Energy: 0.5495655497748236
Energy: 0.5547569817230302
Energy: 0.5495655497743043
Energy: 0.6360631921598613
Energy: 0.5487223947247486
Energy: 0.668720987497477
Energy: 0.5487223947252678
Energy: 0.6036829650960938
Energy: 0.6515586479852288
Energy: 0.6339267179210781
Energy: 0.6515586479847093
Energy: 0.5556088280735891
Energy: 0.552071626225309
Energy: 0.672745812307755
Energy: 0.5520716262263476
Energy: 0.5948325023467447
Energy: 0.5529055637220505
Energy: 0.6693441613153654
Energy: 0.5529055637220505
Energy: 0.5524897053115104
Energy: 0.552878681476329
Energy: 0.669364101568597
Energy: 0.5528786814758098
Energy: 0.5524883529250163
Energy: 0.5523547731011696
Energy: 0.6707037354132973
Energy: 0.5523547731011696
Energy: 0.5598794056006927
Energy: 0.5524235161003509
Energy: 0.7117088480891873
Energy: 0.5524235161008701
Energy: 0.6764378947158965
Energy: 0.5708794483170315
Energy: 0.7073095247563049
Energy: 0.5708794483175508
Energy: 0.7900096275453024
Energy: 0.5530003058360919
Energy: 0.5541187550512247
Energy: 0.5530003058345341
Energy: 0.6764332497498334
Energy: 0.5526385752017339
Energy: 0.5528744006831945
Energy: 0.5526385752017339
Energy: 0.6820674560406791
Energy: 0.5822782574517089
Energy: 0.5708582569059653
Energy: 0.5822782574517089

minimum gb energy = 0.5483828324155107 eV
minimum distance =  2.53159862460137 Angstroms
sigma value = 89


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

Energy: 0.8968400176073821
Energy: 0.6419093353606141
Energy: 0.641823848478595
Energy: 0.5264839917897512
Energy: 0.622176496692159
Energy: 0.622262685109984
Energy: 0.6042006722840907
Energy: 0.622262685109984
Energy: 0.49109664992902213
Energy: 0.5370847103994436
Energy: 0.620458600224138
Energy: 0.5370847103994436
Energy: 0.4936584735425006
Energy: 0.495842148514252
Energy: 0.6052976198353978
Energy: 0.495842148514252
Energy: 0.49583297571247276
Energy: 0.6178394572438227
Energy: 0.619805776950695
Energy: 0.6178394572438227
Energy: 0.4962825404989069
Energy: 0.6182616887094926
Energy: 0.618764650545359
Energy: 0.6182616887094926
Energy: 0.4959804038432054
Energy: 0.4943787238018753
Energy: 0.6240662940065559
Energy: 0.4943787238018753
Energy: 0.49522129049306296
Energy: 0.4948542402676488
Energy: 0.7103820313785628
Energy: 0.4948542402676488
Energy: 0.6049709811375057
Energy: 0.6179247388863639
Energy: 0.7107283396462138
Energy: 0.6179247388863639
Energy: 0.6210186288171665
Energy: 0.5360624240917009
Energy: 0.5484166763481796
Energy: 0.5360624240917009
Energy: 0.6231026069585437
Energy: 0.5356521496749491
Energy: 0.49112593788357284
Energy: 0.5356521496749491
Energy: 0.6180621253547627
Energy: 0.6177173958496831
Energy: 0.49580025914486975
Energy: 0.6177173958496831
Energy: 0.6171894875782635
Energy: 0.49479773328604393
Energy: 0.4946426715267426
Energy: 0.49479773328604393
Energy: 0.6055674893012272
Energy: 0.49436389160204863
Energy: 0.4946350931761881
Energy: 0.49436389160204863
Energy: 0.7103089350695434
Energy: 0.49466631914080306
Energy: 0.49455471944721136
Energy: 0.49466631914080306

minimum gb energy = 0.49109664992902213 eV
minimum distance =  2.55215780650051 Angstroms
sigma value = 13


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

Energy: 0.7975091987035972
Energy: 0.6317298309329182
Energy: 0.6382713782222822
Energy: 0.5032764057750061
Energy: 0.6378221707697852
Energy: 0.48545013530962056
Energy: 0.5416013548913083
Energy: 0.48545013530962056
Energy: 0.6922046709792361
Energy: 0.4851197606856686
Energy: 0.5634452806301343
Energy: 0.4851197606896552
Energy: 0.6331717372866156
Energy: 0.6059162549951776
Energy: 0.5382673261023873
Energy: 0.6059162549963167
Energy: 0.5411086385012476
Energy: 0.5108473702159446
Energy: 0.6629694474825232
Energy: 0.5108473702153751
Energy: 0.5405839432238612
Energy: 0.48525303569954503
Energy: 0.6606019512199306
Energy: 0.48525303569954503
Energy: 0.5574092572366017
Energy: 0.48526954559267
Energy: 0.6384024134462105
Energy: 0.4852695455903919
Energy: 0.4911942768824618
Energy: 0.4858701191882188
Energy: 0.750024363594316
Energy: 0.4858701191870798
Energy: 0.5010403180455518
Energy: 0.49882839331615897
Energy: 0.7505319625877123
Energy: 0.4988283933133115
Energy: 0.49173543261470176
Energy: 0.4855053176683011
Energy: 0.7546711453510223
Energy: 0.48550531766773164
Energy: 0.48971220773634966
Energy: 0.48952967653492024
Energy: 0.797624938822617
Energy: 0.48952967653378127
Energy: 0.6416586001816078
Energy: 0.48536801762558557
Energy: 0.539537498868711
Energy: 0.4853680176261551
Energy: 0.6687195180388545
Energy: 0.5100431324470324
Energy: 0.6399398492526794
Energy: 0.5100431324481715
Energy: 0.6376380799313913
Energy: 0.48569155423879734
Energy: 0.6337107848182637
Energy: 0.4856915542359498
Energy: 0.7500556138942915
Energy: 0.4859665476808607
Energy: 0.5401632564883054
Energy: 0.48596654768143027
Energy: 0.7498570260523266
Energy: 0.4859919179090082
Energy: 0.4914482109617737
Energy: 0.48599191790843865
Energy: 0.6369674500751639
Energy: 0.4857438018381155
Energy: 0.48869131117278947
Energy: 0.4857438018369765
Energy: 0.6846283893483158
Energy: 0.4858944705041782
Energy: 0.492371205883088
Energy: 0.4858944705047477
Energy: 0.8114178631427797
Energy: 0.4889782592206162
Energy: 0.5362943270141867
Energy: 0.48897825921947724
Energy: 0.6415588700898217
Energy: 0.4852153441203123
Energy: 0.5593257292804138
Energy: 0.4852153441208818
Energy: 0.6321849873428877
Energy: 0.4857384905616748
Energy: 0.5358188401004945
Energy: 0.48573849056110524
Energy: 0.642790778280196
Energy: 0.5089905506861542
Energy: 0.6424058745230328
Energy: 0.5089905506850152
Energy: 0.540824651184826
Energy: 0.48562045993965425
Energy: 0.6678460445635801
Energy: 0.4856204599356677
Energy: 0.48536474782885203
Energy: 0.4850137590340399
Energy: 0.7509266055463045
Energy: 0.485013759036318
Energy: 0.537123810471202
Energy: 0.48581036999780103
Energy: 0.7489288676869127
Energy: 0.48581036999894006
Energy: 0.4876987613262655
Energy: 0.4857734406067944
Energy: 0.749141048736915
Energy: 0.48577344060508587
Energy: 0.48589196972028775
Energy: 0.4853065906127026
Energy: 0.7522543976194186
Energy: 0.4853065906127026
Energy: 0.48548577260968867
Energy: 0.48582091778020514
Energy: 0.6855647905167732
Energy: 0.4858209177779271
Energy: 0.6398115533040846
Energy: 0.4855255427324215
Energy: 0.8122783196480361
Energy: 0.4855255427324215
Energy: 0.5589283379794775
Energy: 0.5115379011337466
Energy: 0.6374901336874282
Energy: 0.5115379011337466
Energy: 0.6366694387374003
Energy: 0.5132963600221288
Energy: 0.6319400379135334
Energy: 0.5132963600226982
Energy: 0.7497917427284698
Energy: 0.4858137548213885
Energy: 0.5350788765861062
Energy: 0.4858137548236665
Energy: 0.749716374720009
Energy: 0.486151430759342
Energy: 0.4932304642165777
Energy: 0.486151430759342
Energy: 0.7086213755412211
Energy: 0.4855297567512692
Energy: 0.4860999866115343
Energy: 0.48552975675183874
Energy: 0.8115453324463501
Energy: 0.48587798207006716
Energy: 0.4902010509200857
Energy: 0.4858779820677892

minimum gb energy = 0.4850137590340399 eV
minimum distance =  2.54579007590006 Angstroms
sigma value = 37


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

Energy: 0.6979928376588533
Energy: 0.44353311652513866
Energy: 0.4434769978139782
Energy: 0.44617096558474645
Energy: 0.6312976041632915
Energy: 0.4429262089781361
Energy: 0.5350850530951851
Energy: 0.4429262089781361
Energy: 0.6280196924098267
Energy: 0.44266290863107144
Energy: 0.5437722695226141
Energy: 0.44266290863107144
Energy: 0.7022104324831661
Energy: 0.4848485734256934
Energy: 0.5359932883495921
Energy: 0.4848485734256934
Energy: 0.5371436527266917
Energy: 0.4871938283030952
Energy: 0.5432615072987137
Energy: 0.4871938283030952
Energy: 0.44094325255645966
Energy: 0.44386028908295855
Energy: 0.7096000969069933
Energy: 0.4438602890839384
Energy: 0.44063980923633433
Energy: 0.4428811254316342
Energy: 0.6342726563114979
Energy: 0.4428811254316342
Energy: 0.4538772753326885
Energy: 0.44322801071994894
Energy: 0.7421377345333923
Energy: 0.44322801072092877
Energy: 0.4432178932595554
Energy: 0.4433291445692217
Energy: 0.7418397256103499
Energy: 0.4433291445692217
Energy: 0.4435335235927924
Energy: 0.44321617603719726
Energy: 0.7097360207467275
Energy: 0.44321617603719726
Energy: 0.443476997814958
Energy: 0.4435331165192598
Energy: 0.6979928376588533
Energy: 0.44353311651828004
Energy: 0.5350850530961649
Energy: 0.442926208979116
Energy: 0.6312976041632915
Energy: 0.4429262089781361
Energy: 0.5437722695216343
Energy: 0.44266290863107144
Energy: 0.6280196924098267
Energy: 0.44266290863107144
Energy: 0.535993288350572
Energy: 0.4848485734256934
Energy: 0.7022104324831661
Energy: 0.4848485734256934
Energy: 0.5432615072977338
Energy: 0.4871938283030952
Energy: 0.5371436527266917
Energy: 0.4871938283030952
Energy: 0.7454253565853791
Energy: 0.44386028908295855
Energy: 0.44094325255645966
Energy: 0.4438602890839384
Energy: 0.6342726563114979
Energy: 0.4428811254316342
Energy: 0.44063980923633433
Energy: 0.4428811254316342
Energy: 0.7421377345343722
Energy: 0.44322801072092877
Energy: 0.4538772753326885
Energy: 0.44322801071994894
Energy: 0.7418397256093702
Energy: 0.4433291445692217
Energy: 0.44321789325857563
Energy: 0.4433291445692217
Energy: 0.7097360207359497
Energy: 0.44321617603719726
Energy: 0.4435335235927924
Energy: 0.44321617603719726

minimum gb energy = 0.44063980923633433 eV
minimum distance =  2.55617769894033 Angstroms
sigma value = 25


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

Energy: 0.8560907744606939
Energy: 0.40117108965698667
Energy: 0.5573368542034752
Energy: 0.4088023339645655
Energy: 0.7618209647762726
Energy: 0.4005059728771308
Energy: 0.47445177909871056
Energy: 0.40050597287636575
Energy: 0.7590799892595516
Energy: 0.3997817737146995
Energy: 0.47766158730596514
Energy: 0.3997817737146995
Energy: 0.5953514605931001
Energy: 0.40035723322235783
Energy: 0.47408833515031584
Energy: 0.4003572332253834
Energy: 0.6564760985243361
Energy: 0.5259433839066855
Energy: 0.6566687024465522
Energy: 0.5259433839066855
Energy: 0.5492166494455367
Energy: 0.43106182184337927
Energy: 0.6587745173059235
Energy: 0.43106182184337927
Energy: 0.5523504716286598
Energy: 0.5259345826033802
Energy: 0.6569743534768197
Energy: 0.5259345826033802
Energy: 0.4741765515310435
Energy: 0.40012657055278406
Energy: 0.7261150433209395
Energy: 0.40012657055278406
Energy: 0.4776048267110899
Energy: 0.3999100619878777
Energy: 0.8423356565276503
Energy: 0.3999100619878777
Energy: 0.47803806215500966
Energy: 0.40038143012108623
Energy: 0.7633684446601001
Energy: 0.40038143012108623
Energy: 0.4007017658781378
Energy: 0.40026958960380365
Energy: 0.724965419191803
Energy: 0.40026958960456877
Energy: 0.4034455010276357
Energy: 0.40041907665920295
Energy: 0.7631708581702034
Energy: 0.40041907665920295
Energy: 0.40122553646735293
Energy: 0.3998099478746346
Energy: 0.840260190795233
Energy: 0.3998099478746346
Energy: 0.4151748065649527
Energy: 0.4002967820555602
Energy: 0.7572386272286676
Energy: 0.4002967820555602
Energy: 0.47783165244747
Energy: 0.39978515761554706
Energy: 0.7616934965294998
Energy: 0.39978515761554706
Energy: 0.478892119243824
Energy: 0.39988749584240557
Energy: 0.7589968293043438
Energy: 0.39988749584240557
Energy: 0.4740159904755563
Energy: 0.5253170084931886
Energy: 0.7585685835977852
Energy: 0.5253170084924235
Energy: 0.4980440728162009
Energy: 0.4340137863143565
Energy: 0.658649859920162
Energy: 0.43401378631512155
Energy: 0.6574073826539518
Energy: 0.5255188533798641
Energy: 0.5515325840720429
Energy: 0.5255188533798641
Energy: 0.6566944888158481
Energy: 0.5260065858401366
Energy: 0.5495192523980043
Energy: 0.5260065858401366
Energy: 0.7260111773996034
Energy: 0.3999942398666377
Energy: 0.4764609388133628
Energy: 0.3999942398658726
Energy: 0.8423379649572698
Energy: 0.39960940834186787
Energy: 0.40074383518160633
Energy: 0.39960940834110276
Energy: 0.8405244324860405
Energy: 0.40040918264838327
Energy: 0.4742886193873158
Energy: 0.40040918264914827
Energy: 0.7259109600848895
Energy: 0.40036965066386687
Energy: 0.40126750271798955
Energy: 0.40036965066386687
Energy: 0.7625698603238018
Energy: 0.40022047740714206
Energy: 0.40048410422990555
Energy: 0.40022047740714206
Energy: 0.7573749708805486
Energy: 0.40003799119298183
Energy: 0.4005247051905476
Energy: 0.40003799119298183

minimum gb energy = 0.39960940834110276 eV
minimum distance =  2.56103235242289 Angstroms
sigma value = 41


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

Energy: 0.956109149357226
Energy: 0.3667821899145929
Energy: 0.530480797959849
Energy: 0.378633181457188
Energy: 0.8299934832809094
Energy: 0.366288687401975
Energy: 0.42664120123258287
Energy: 0.366288687401975
Energy: 0.8263601915691198
Energy: 0.3658076228204363
Energy: 0.4293211613139386
Energy: 0.365807622819809
Energy: 0.6771731994742186
Energy: 0.36666315123582405
Energy: 0.42593127807187875
Energy: 0.36666315123582405
Energy: 0.7580467919241135
Energy: 0.4762591124559381
Energy: 0.5877365662748378
Energy: 0.47625911245531083
Energy: 0.6809734933461059
Energy: 0.4817833074682771
Energy: 0.5844965931898999
Energy: 0.48178330746890435
Energy: 0.6778595214892428
Energy: 0.5809606529859996
Energy: 0.584393088949962
Energy: 0.5809606529859996
Energy: 0.5854368404613574
Energy: 0.481998354540322
Energy: 0.6272140069663802
Energy: 0.481998354540322
Energy: 0.48784726930634736
Energy: 0.47759917848018246
Energy: 0.7560812447963449
Energy: 0.47759917847955524
Energy: 0.48709387038054086
Energy: 0.47640589160826385
Energy: 0.7535396639742615
Energy: 0.47640589160826385
Energy: 0.4271152987493175
Energy: 0.366126264662205
Energy: 0.8449836763349149
Energy: 0.3661262646634595
Energy: 0.42870905845930357
Energy: 0.3657821513551587
Energy: 0.898076529295507
Energy: 0.36578215135578596
Energy: 0.42706272023429453
Energy: 0.3667250634015462
Energy: 0.8933143505988143
Energy: 0.3667250634015462
Energy: 0.36678346479569834
Energy: 0.3664631325011131
Energy: 0.7514736650738245
Energy: 0.36646313250174034
Energy: 0.3675208046632527
Energy: 0.3665938418725576
Energy: 0.8283207931012436
Energy: 0.36659384187318483
Energy: 0.3716095385075376
Energy: 0.36672301060765
Energy: 0.8250816734286917
Energy: 0.36672301060639545
Energy: 0.43450238415964737
Energy: 0.36688806553938796
Energy: 0.825079457158303
Energy: 0.36688806554001524
Energy: 0.44419003733609935
Energy: 0.368246008112924
Energy: 0.8276991406479691
Energy: 0.368246008112924
Energy: 0.4281221601472272
Energy: 0.36597995869742084
Energy: 0.6844580566122436
Energy: 0.36597995869679356
Energy: 0.5853254929733439
Energy: 0.47594482201546245
Energy: 0.6819009615576646
Energy: 0.47594482201546245
Energy: 0.628144214597538
Energy: 0.4761399406239653
Energy: 0.7541598967809442
Energy: 0.47613994062333803
Energy: 0.5861638987382026
Energy: 0.5831780768551841
Energy: 0.6777256109299438
Energy: 0.5831780768551841
Energy: 0.7566561435905909
Energy: 0.5790564652393294
Energy: 0.6791784502507621
Energy: 0.5790564652393294
Energy: 0.5905582263268618
Energy: 0.4817148431775265
Energy: 0.5860639850099034
Energy: 0.4817148431768993
Energy: 0.7541635144025924
Energy: 0.47684599065699407
Energy: 0.5217759529934565
Energy: 0.47684599065699407
Energy: 0.7531582336865875
Energy: 0.4760140332587048
Energy: 0.5840379253033624
Energy: 0.4760140332580775
Energy: 0.7522024044241901
Energy: 0.4754103427182281
Energy: 0.42830000497522674
Energy: 0.4754103427182281
Energy: 0.8267944106400371
Energy: 0.367262845312687
Energy: 0.4449081962123733
Energy: 0.36726284531205977
Energy: 0.752303980892443
Energy: 0.36661281369109755
Energy: 0.4282751267555709
Energy: 0.36661281369109755
Energy: 0.7522401570355153
Energy: 0.3667290956695267
Energy: 0.36700135903391684
Energy: 0.366729095670154
Energy: 0.8270676499905174
Energy: 0.3662494385047036
Energy: 0.36742958146184446
Energy: 0.3662494385053308
Energy: 0.825042782735667
Energy: 0.3672826774299521
Energy: 0.36710167297730495
Energy: 0.3672826774305793

minimum gb energy = 0.3657821513551587 eV
minimum distance =  2.56139372054125 Angstroms
sigma value = 15


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

Energy: 0.8327148753298065
Energy: 0.34173039148316764
Energy: 0.5086098962375459
Energy: 0.35484440944566126
Energy: 0.8783311260191867
Energy: 0.33895487810800856
Energy: 0.3899502044008086
Energy: 0.33895487810800856
Energy: 0.8783645295418028
Energy: 0.34066772335783263
Energy: 0.3929660247185443
Energy: 0.34066772335889545
Energy: 0.7478931812941978
Energy: 0.34052206474924385
Energy: 0.39061294540851865
Energy: 0.3405220647487125
Energy: 0.816203548266566
Energy: 0.4371915888471654
Energy: 0.5285093853767034
Energy: 0.4371915888482282
Energy: 0.7542614748861584
Energy: 0.3402739004483319
Energy: 0.5257700537056679
Energy: 0.3402739004552398
Energy: 0.6135059687923976
Energy: 0.5388262869004208
Energy: 0.5262650535824307
Energy: 0.5388262868998894
Energy: 0.6851297436535061
Energy: 0.530330883705983
Energy: 0.5309987540153976
Energy: 0.5303308837054517
Energy: 0.6122892108351468
Energy: 0.5369465462606219
Energy: 0.6803772751241637
Energy: 0.5369465462595591
Energy: 0.610439774396719
Energy: 0.5353031474454735
Energy: 0.680701316105458
Energy: 0.535303147444942
Energy: 0.5311611347925574
Energy: 0.34136792569023927
Energy: 0.738655812036789
Energy: 0.34136792569023927
Energy: 0.4427289641702938
Energy: 0.4369950347955318
Energy: 0.8118272755678352
Energy: 0.43699503479500046
Energy: 0.527185812742864
Energy: 0.43626194169566346
Energy: 0.8150979168307637
Energy: 0.4362619416946007
Energy: 0.39814267514545326
Energy: 0.3406947909020132
Energy: 0.6799315982135875
Energy: 0.3406947909126407
Energy: 0.4051573825925534
Energy: 0.340051316136302
Energy: 0.872172351766294
Energy: 0.34005131613577055
Energy: 0.3952677937794075
Energy: 0.33955099223434587
Energy: 0.8157672848138103
Energy: 0.33955099223434587
Energy: 0.34588779758988275
Energy: 0.33980827728185875
Energy: 0.80964562690947
Energy: 0.3398082772823901
Energy: 0.33925142811050724
Energy: 0.33962274460682296
Energy: 0.872551502595371
Energy: 0.3396227446062916
Energy: 0.34606149067730757
Energy: 0.34005031600320024
Energy: 0.7565022924999313
Energy: 0.34005031600213753
Energy: 0.39633529004449974
Energy: 0.3396465964106903
Energy: 0.8702349531983647
Energy: 0.3396465964106903
Energy: 0.4035113174312126
Energy: 0.34050874275735693
Energy: 0.8726049209621264
Energy: 0.34050874275629417
Energy: 0.39833010296218413
Energy: 0.3399190637016283
Energy: 0.7481533755648122
Energy: 0.3399190637010969
Energy: 0.526363255993032
Energy: 0.34075256709333124
Energy: 0.7514615786779755
Energy: 0.34075256709333124
Energy: 0.5303288361469483
Energy: 0.43740030656514417
Energy: 0.8123367522404473
Energy: 0.43740030656514417
Energy: 0.5329603447137905
Energy: 0.4460043941640904
Energy: 0.6453315426233274
Energy: 0.44600439416515314
Energy: 0.6830534706778035
Energy: 0.5349884520066249
Energy: 0.7549155924315775
Energy: 0.5349884520071563
Energy: 0.5275752895763516
Energy: 0.5364728038611182
Energy: 0.6809817969547015
Energy: 0.5364728038616497
Energy: 0.6861352965361021
Energy: 0.5307710255148503
Energy: 0.6448774688404267
Energy: 0.5307710255148503
Energy: 0.6851532599465006
Energy: 0.538046223856747
Energy: 0.6183500835936478
Energy: 0.5380462238562157
Energy: 0.6825730748197685
Energy: 0.4480150566114627
Energy: 0.5274841028002741
Energy: 0.4480150566109312
Energy: 0.8144735854852296
Energy: 0.4366094419766914
Energy: 0.4425554780705843
Energy: 0.43660944197616003
Energy: 0.6874521483795356
Energy: 0.3412945232465965
Energy: 0.45655086293753494
Energy: 0.3412945232481906
Energy: 0.8161488501600161
Energy: 0.3390922699145582
Energy: 0.3940858606902231
Energy: 0.3390922699140268
Energy: 0.877996494932366
Energy: 0.33900857461949413
Energy: 0.39323151415165125
Energy: 0.33900857461949413
Energy: 0.9272657508752449
Energy: 0.3394652270447382
Energy: 0.3494651129513403
Energy: 0.3394652269571093
Energy: 0.8780319996688783
Energy: 0.3397742994950903
Energy: 0.3404929852909339
Energy: 0.3397742994950903
Energy: 0.8765783856117465
Energy: 0.3399767134458299
Energy: 0.3416346518674577
Energy: 0.3399767134458299

minimum gb energy = 0.33895487810800856 eV
minimum distance =  2.55554022011493 Angstroms
sigma value = 85


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

Energy: 0.8944646531667402
Energy: 0.30612835984470715
Energy: 0.3060727359783767
Energy: 0.31517518515357895
Energy: 0.8420449536598796
Energy: 0.3053580679457229
Energy: 0.3496428124590711
Energy: 0.3053580679457229
Energy: 0.7855374331045296
Energy: 0.3053718315016141
Energy: 0.352916296201608
Energy: 0.3053718315016141
Energy: 0.7285701845554018
Energy: 0.305532188682521
Energy: 0.3502642989294564
Energy: 0.3055321886820601
Energy: 0.8418690698442162
Energy: 0.3913607256633263
Energy: 0.4696635964186705
Energy: 0.3913607256637872
Energy: 0.672567037967859
Energy: 0.30531596709731734
Energy: 0.4693610235294699
Energy: 0.3053159670963956
Energy: 0.6703022426903827
Energy: 0.40552170293120576
Energy: 0.6005552800700549
Energy: 0.40552170293120576
Energy: 0.7303690224886152
Energy: 0.482108139475804
Energy: 0.4687688522549831
Energy: 0.482108139475804
Energy: 0.6704816473622895
Energy: 0.4939626742324134
Energy: 0.6083833413434786
Energy: 0.4939626742324134
Energy: 0.6706443218133942
Energy: 0.49227452783704706
Energy: 0.679276952622469
Energy: 0.49227452783704706
Energy: 0.6083861573231921
Energy: 0.48479544468748076
Energy: 0.6490787707207692
Energy: 0.48479544468748076
Energy: 0.5454618582406129
Energy: 0.40540137499132395
Energy: 0.7299416593909998
Energy: 0.4054013749894804
Energy: 0.6080863330339475
Energy: 0.4824607395063939
Energy: 0.7303886175360548
Energy: 0.482460739505933
Energy: 0.4687001783572598
Energy: 0.4054567439931823
Energy: 0.6065514928555525
Energy: 0.4054567439931823
Energy: 0.41709623069846
Energy: 0.39180396115151767
Energy: 0.8419051881317039
Energy: 0.39180396115197846
Energy: 0.46921366098819595
Energy: 0.39159059486056386
Energy: 0.7280436415384616
Energy: 0.39159059486056386
Energy: 0.3499379877546975
Energy: 0.3065411211985267
Energy: 0.7278825017155065
Energy: 0.3065411211985267
Energy: 0.36084773864018366
Energy: 0.306939070982254
Energy: 0.8952613772704457
Energy: 0.306939070982254
Energy: 0.3526602603403317
Energy: 0.3054019354164105
Energy: 0.8390126571346277
Energy: 0.3054019354164105
Energy: 0.3069307316656839
Energy: 0.3057628054057425
Energy: 0.838917416413358
Energy: 0.3057628054052816
Energy: 0.3060620292617228
Energy: 0.3056442838946096
Energy: 0.89598206649769
Energy: 0.3056442838950705
Energy: 0.30524916649974615
Energy: 0.3054730755816772
Energy: 0.7849342133229492
Energy: 0.3054730755816772
Energy: 0.34963865306081515
Energy: 0.3056625889612029
Energy: 0.8922094256168065
Energy: 0.3056625889612029
Energy: 0.3509792617427139
Energy: 0.30533332297499993
Energy: 0.8961833287797737
Energy: 0.30533332297499993
Energy: 0.3519056026700255
Energy: 0.30563621701852794
Energy: 0.728455417249648
Energy: 0.30563621701806704
Energy: 0.46913546126220207
Energy: 0.39145907424509324
Energy: 0.8414116795160729
Energy: 0.39145907424463244
Energy: 0.4690095145331327
Energy: 0.3916507293817177
Energy: 0.7888890182939359
Energy: 0.39165072938217854
Energy: 0.4691874942490572
Energy: 0.3060672845619828
Energy: 0.7292849714462708
Energy: 0.30606728456152194
Energy: 0.6086213363139741
Energy: 0.4822969845540228
Energy: 0.7303864068023675
Energy: 0.4822969845544837
Energy: 0.6089530534601131
Energy: 0.48471141675141666
Energy: 0.6719502913016201
Energy: 0.48471141675095586
Energy: 0.6083827832254791
Energy: 0.4914314531600591
Energy: 0.5454539414858195
Energy: 0.49143145316051995
Energy: 0.6073609906507912
Energy: 0.4913357969161045
Energy: 0.6085174539872164
Energy: 0.4913357969161045
Energy: 0.7300111723226694
Energy: 0.4054291774305313
Energy: 0.5426169945097055
Energy: 0.4054291774300705
Energy: 0.7302833425276494
Energy: 0.4823415240453582
Energy: 0.5430656855487026
Energy: 0.4823415240453582
Energy: 0.6483444387540814
Energy: 0.30622906653415494
Energy: 0.4687785954191842
Energy: 0.306229066533694
Energy: 0.8414792984815849
Energy: 0.3917958060494544
Energy: 0.4695321502840141
Energy: 0.3917958060494544
Energy: 0.8398504010583276
Energy: 0.3914135948844622
Energy: 0.46896824577533675
Energy: 0.3914135948844622
Energy: 0.7281055608166488
Energy: 0.30558115175848255
Energy: 0.3501900962542289
Energy: 0.30558115175802164
Energy: 0.8971728231123424
Energy: 0.3052561781735293
Energy: 0.3512398523627967
Energy: 0.3052561781735293
Energy: 0.8390474699817292
Energy: 0.30549724763341474
Energy: 0.3497525550269181
Energy: 0.3054972476329539
Energy: 0.7278868172996662
Energy: 0.30569669366868896
Energy: 0.3061835817022709
Energy: 0.3056966936691498
Energy: 0.8959842787301492
Energy: 0.30558262469925884
Energy: 0.305879240177713
Energy: 0.30558262469925884
Energy: 0.7847373885719519
Energy: 0.30540650469748487
Energy: 0.3089048073313871
Energy: 0.305406504697024

minimum gb energy = 0.30524916649974615 eV
minimum distance =  2.56366286034923 Angstroms
sigma value = 113


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

Energy: 0.011713306822420815
Energy: 0.23911962392801894
Energy: 0.6930980942035574
Energy: 0.013589851647579827
Energy: 0.5193980603158065
Energy: 0.06347441014170345
Energy: 0.5206559443166345
Energy: 0.06347441014134916
Energy: 0.012801849467438719
Energy: 0.06206735013143793
Energy: 0.5188207243613605
Energy: 0.06206735013143793
Energy: 0.01313554736959056
Energy: 0.061529233311709446
Energy: 0.5185008160787387
Energy: 0.06152923331204405
Energy: 0.5183137825862785
Energy: 0.06149751022784354
Energy: 0.5182476398216737
Energy: 0.06149751022784354
Energy: 0.012145722000039773
Energy: 0.06184585471708081
Energy: 0.5185268058267293
Energy: 0.06184585471672652

minimum gb energy = 0.011713306822420815 eV
minimum distance =  2.82305290767139 Angstroms
sigma value = 1