Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
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=2.570972137153149
cohesive_energy=-2.90814344205171
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 563.9047749410812
Energy: 562.9541062275042
Energy: 582.1417037371798
Energy: 562.9541062275042
Energy: 562.9541062275042
Energy: 571.330969960187
Energy: 562.9541062275042
Energy: 571.330969960187
Energy: 582.1417037371798
Energy: 562.9541062275042
Energy: 563.9047749410812
Energy: 562.9541062275042
Energy: 562.9541062275042
Energy: 571.330969960187
Energy: 562.9541062275042
Energy: 571.330969960187

minimum gb energy = 562.9541062275042 eV
minimum distance =  1.5743924697345 Angstroms
sigma value = 1


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

Energy: 900.413782660271
Energy: 905.5814078859501
Energy: 924.5011609488532
Energy: 905.5814078859501
Energy: 905.941840115544
Energy: 908.844162402055
Energy: 905.328896380465
Energy: 908.8441624020536
Energy: 915.300506228463
Energy: 909.5816335127953
Energy: 904.129069656133
Energy: 909.5816335127953
Energy: 909.8020358571994
Energy: 903.6422260470412
Energy: 905.023699376762
Energy: 903.6422260470412
Energy: 910.2542418476359
Energy: 905.8221791682099
Energy: 909.7572182635658
Energy: 905.8221791682099
Energy: 904.2991397504798
Energy: 909.1673590511298
Energy: 907.7255016880375
Energy: 909.1673590511327
Energy: 904.6200923356528
Energy: 911.4842214267369
Energy: 905.8554961627491
Energy: 911.4842214267354
Energy: 908.8021762485351
Energy: 905.4728850200062
Energy: 910.76718786322
Energy: 905.4728850200075
Energy: 905.8701784233026
Energy: 907.1328873132845
Energy: 909.3236816200584
Energy: 907.1328873132845
Energy: 906.976121535764
Energy: 909.2859129728882
Energy: 913.8431983166134
Energy: 909.2859129728897
Energy: 909.6705951290306
Energy: 910.7319152634525
Energy: 906.130017554644
Energy: 910.7319152634525
Energy: 913.5860292122351
Energy: 905.9786944511546
Energy: 903.088774396113
Energy: 905.9786944511546
Energy: 906.1186962108733
Energy: 911.807616039023
Energy: 905.6951446667347
Energy: 911.807616039023
Energy: 904.0669953322422
Energy: 909.6620940864444
Energy: 906.4930745452932
Energy: 909.6620940864444
Energy: 911.5242415547525
Energy: 905.5451326463973
Energy: 906.4589708891614
Energy: 905.5451326463973
Energy: 910.9627291134575
Energy: 905.561492195244
Energy: 906.1150701530644
Energy: 905.561492195244
Energy: 903.9824236331284
Energy: 910.3565210149869
Energy: 911.1522612762685
Energy: 910.3565210149882
Energy: 907.480744043265
Energy: 912.3224379907896
Energy: 905.5429329222256
Energy: 912.3224379907866
Energy: 915.711251591714
Energy: 905.6692327565123
Energy: 902.9810849240685
Energy: 905.6692327565123
Energy: 905.3145230399487
Energy: 907.1184548680187
Energy: 906.722946425152
Energy: 907.1184548680203
Energy: 907.4462232748863
Energy: 909.4076655996072
Energy: 912.9257766830298
Energy: 909.4076655996056
Energy: 905.546472424546
Energy: 903.906303139312
Energy: 908.5538952321749
Energy: 903.906303139312
Energy: 908.9477062313945
Energy: 905.8405855332419
Energy: 910.3848272076011
Energy: 905.8405855332419
Energy: 908.103752998613
Energy: 911.3188582524638
Energy: 904.9774017486561
Energy: 911.3188582524654
Energy: 905.1537408109486
Energy: 910.3789631423787
Energy: 904.3634825926298
Energy: 910.378963143175
Energy: 909.7808831970461
Energy: 905.6873665814691
Energy: 910.7579095836489
Energy: 905.6873665814691
Energy: 909.8630474516602
Energy: 910.3128089923422
Energy: 905.4801588670001
Energy: 910.3128089923422
Energy: 916.1760605757678
Energy: 909.5486566260596
Energy: 904.0033643160452
Energy: 909.5486566260596
Energy: 905.714527518297
Energy: 908.9245320019285
Energy: 909.0384693985766
Energy: 908.9245320019269
Energy: 900.4271367258581
Energy: 905.5758996158104
Energy: 913.9061764762365
Energy: 905.5758996158088
Energy: 906.344763376128
Energy: 908.8743778202935
Energy: 904.8373522013529
Energy: 908.8743778202935
Energy: 910.1926621941509
Energy: 909.7263006584395
Energy: 904.319757699173
Energy: 909.7263006584379
Energy: 909.7954526843257
Energy: 903.5471710202686
Energy: 904.8158867012127
Energy: 903.5471710202669

minimum gb energy = 900.413782660271 eV
minimum distance =  1.46350985352391 Angstroms
sigma value = 1


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

Energy: 790.930028705011
Energy: 791.885609037099
Energy: 813.4197092957202
Energy: 791.885609037099
Energy: 797.4401061941493
Energy: 794.3973355798825
Energy: 796.7745757829615
Energy: 794.3973355798807
Energy: 802.6431513455382
Energy: 792.0688022222054
Energy: 796.3812063006915
Energy: 792.0688022222054
Energy: 795.320816298884
Energy: 796.7021289266962
Energy: 796.6704248149268
Energy: 796.7021289266962
Energy: 797.5471843516054
Energy: 798.9317457889736
Energy: 800.2275728751022
Energy: 798.9317457889772
Energy: 797.4124936748545
Energy: 798.2008527550291
Energy: 799.3520859391222
Energy: 798.2008527550275
Energy: 797.5811176649562
Energy: 796.922179331176
Energy: 796.9456136091657
Energy: 796.922179331176
Energy: 800.9387305926263
Energy: 791.7675867384577
Energy: 799.2152400128784
Energy: 791.7675867384577
Energy: 798.0035092728025
Energy: 792.7228999286648
Energy: 797.0308753618325
Energy: 792.7228999286631
Energy: 794.1294649097348
Energy: 792.013475199065
Energy: 803.8916626755016
Energy: 792.013475199065
Energy: 798.0283592275877
Energy: 799.3869281310859
Energy: 797.0013012606299
Energy: 799.3869281310774
Energy: 799.5114540822149
Energy: 795.1011784004808
Energy: 796.0049318247179
Energy: 795.1011784004808
Energy: 791.0973065227796
Energy: 798.8423492433152
Energy: 799.8863804471545
Energy: 798.8423492433152
Energy: 791.1017378160517
Energy: 798.8398738250437
Energy: 798.931499779514
Energy: 798.8398738250437
Energy: 799.4837135426794
Energy: 795.1602163534457
Energy: 796.0598102660271
Energy: 795.1602163534457
Energy: 796.8089566063865
Energy: 799.3630841187778
Energy: 795.850934506251
Energy: 799.3630841187692
Energy: 794.1299727166693
Energy: 792.0126484740669
Energy: 805.0673264799702
Energy: 792.0126484740686
Energy: 797.9432900037809
Energy: 792.7259058933757
Energy: 797.029502729319
Energy: 792.7259058933774
Energy: 800.9364122419374
Energy: 791.765999581042
Energy: 799.1058677360104
Energy: 791.765999581042
Energy: 795.8551008938144
Energy: 796.9500646750306
Energy: 797.9187621867586
Energy: 796.9500646750306
Energy: 797.4266768024296
Energy: 798.2078989081432
Energy: 798.4006695884776
Energy: 798.2078989081466
Energy: 797.5461998336311
Energy: 798.6597795209682
Energy: 800.3063506508937
Energy: 798.6597795209698
Energy: 795.3085664484927
Energy: 796.6665066226996
Energy: 794.8414464195756
Energy: 796.6665066227013
Energy: 802.6290959399687
Energy: 792.0717973832199
Energy: 796.4358133518502
Energy: 792.0717973832199
Energy: 797.4718584660227
Energy: 794.3659343865546
Energy: 796.777441361329
Energy: 794.3659343865546
Energy: 790.930028705011
Energy: 791.885609037099
Energy: 809.7539430591647
Energy: 791.885609037099
Energy: 797.4401061941493
Energy: 794.3973355798825
Energy: 796.7745757829632
Energy: 794.3973355798825
Energy: 802.6431513455382
Energy: 792.0688022222054
Energy: 796.3812063006967
Energy: 792.0688022222071
Energy: 795.3208162988859
Energy: 796.7021289266996
Energy: 796.6704248149302
Energy: 796.7021289266982

minimum gb energy = 790.930028705011 eV
minimum distance =  1.3172312455031 Angstroms
sigma value = 25


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

Energy: 677.0745909407322
Energy: 683.8190863022934
Energy: 702.4799879094985
Energy: 683.8190863022934
Energy: 684.7390555022602
Energy: 687.9438276762438
Energy: 683.5514960602492
Energy: 687.9438276762438
Energy: 691.1610620525072
Energy: 678.1022280308559
Energy: 681.8721425787655
Energy: 678.1022280308559
Energy: 687.7045792118562
Energy: 681.3760513867583
Energy: 683.2367800612479
Energy: 681.3760513867583
Energy: 684.863331432334
Energy: 684.8390918660161
Energy: 688.3691931647567
Energy: 684.8390918660161
Energy: 682.556813749214
Energy: 678.6413864431328
Energy: 681.9825546030745
Energy: 678.6413864431328
Energy: 683.0970035016509
Energy: 686.7977533925563
Energy: 677.621240479039
Energy: 686.7977533925583
Energy: 691.7051749585219
Energy: 683.766608726521
Energy: 681.2444129996964
Energy: 683.7666087265189
Energy: 677.640573761756
Energy: 688.7660510273483
Energy: 683.6267244650782
Energy: 688.7660510273483
Energy: 681.4100421226294
Energy: 677.7701435258464
Energy: 685.2437862907227
Energy: 677.7701435258464
Energy: 688.0401568423597
Energy: 683.8049426115871
Energy: 684.4928544607687
Energy: 683.8049426115871
Energy: 683.7696442880588
Energy: 683.7805497378465
Energy: 684.9506466096319
Energy: 683.7805497378465
Energy: 681.5914442396105
Energy: 682.1462668999137
Energy: 686.1899896192866
Energy: 682.1462668999137
Energy: 677.5816809122323
Energy: 686.9774204394255
Energy: 683.5387852822427
Energy: 686.9774204394255
Energy: 693.1463514503066
Energy: 683.8873584137007
Energy: 681.2156529148676
Energy: 683.8873584137007
Energy: 683.8162880690073
Energy: 686.8899267633288
Energy: 685.0679626044067
Energy: 686.8899267633288
Energy: 689.0897762610374
Energy: 678.0839760961389
Energy: 688.0749504958467
Energy: 678.0839760961389
Energy: 684.7689570808067
Energy: 686.0323937205804
Energy: 688.5156507072317
Energy: 686.0323937205804
Energy: 687.1558945099843
Energy: 681.1775296828373
Energy: 682.9749586789429
Energy: 681.1775296828373
Energy: 684.1922589964295
Energy: 678.3283065325514
Energy: 682.6395556874871
Energy: 678.3283065325514
Energy: 679.8201791392377
Energy: 687.6854964539818
Energy: 682.5998506350293
Energy: 687.6854964539838
Energy: 677.1000761158497
Energy: 683.8128841774234
Energy: 690.4829621504654
Energy: 683.8128841774234
Energy: 684.1179800513804
Energy: 684.220214015797
Energy: 684.8430943240315
Energy: 684.220214015797
Energy: 690.9001111503725
Energy: 677.9280320916754
Energy: 681.5240725736129
Energy: 677.9280320916754
Energy: 684.5747168107016
Energy: 681.7121097949477
Energy: 684.1642296720543
Energy: 681.7121097949477

minimum gb energy = 677.0745909407322 eV
minimum distance =  1.38982323594919 Angstroms
sigma value = 9


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

Energy: 569.2268765819373
Energy: 570.8062696025167
Energy: 590.3725950324103
Energy: 570.8062696025167
Energy: 566.7501422442792
Energy: 575.1004461854354
Energy: 577.346397280107
Energy: 575.1004461854354
Energy: 578.2286788276291
Energy: 571.0315976003584
Energy: 575.8369816942775
Energy: 571.031597600356
Energy: 569.4079663121435
Energy: 568.5327679715499
Energy: 570.5091320325583
Energy: 568.5327679715499
Energy: 570.2552740691794
Energy: 576.309893113311
Energy: 575.7281674383725
Energy: 576.3098931133086
Energy: 576.2947931784113
Energy: 571.2442250846916
Energy: 570.485677621402
Energy: 571.2442250846916
Energy: 570.0348880355635
Energy: 574.0230776734983
Energy: 570.3348449181569
Energy: 574.0230776735007
Energy: 581.6498672915206
Energy: 570.9120289918171
Energy: 568.5114316002531
Energy: 570.9120289918171
Energy: 569.8954185821884
Energy: 574.3788888967839
Energy: 575.8164522060583
Energy: 574.3788888967839
Energy: 569.2158788001292
Energy: 570.9085181348089
Energy: 571.1837806897836
Energy: 570.9085181348113
Energy: 572.8182976527704
Energy: 575.9230746522525
Energy: 575.8968360016344
Energy: 575.9230746522477
Energy: 570.9190716136021
Energy: 572.1249265817329
Energy: 571.8908754516802
Energy: 572.1249265817329
Energy: 574.6541223829266
Energy: 571.2770567278657
Energy: 579.8425519947465
Energy: 571.2770567278681
Energy: 563.3284971550682
Energy: 572.5921525231948
Energy: 576.1019074517125
Energy: 572.5921525231925
Energy: 574.6532908174516
Energy: 571.2738869439252
Energy: 579.9959363836912
Energy: 571.2738869439276
Energy: 570.9353087557736
Energy: 572.1379267260454
Energy: 571.8866356569885
Energy: 572.1379267260454
Energy: 572.8331930444481
Energy: 575.9753481758381
Energy: 574.1054040035168
Energy: 575.9753481758405
Energy: 569.2118179461246
Energy: 570.8914646373106
Energy: 571.2497449873924
Energy: 570.8914646373106
Energy: 569.9187268021931
Energy: 574.3451074989002
Energy: 576.2459630898604
Energy: 574.3451074988978
Energy: 581.5760357041406
Energy: 570.914807743518
Energy: 568.5112641704557
Energy: 570.9148077435204
Energy: 570.0338392679886
Energy: 572.0209610398863
Energy: 570.3575061941491
Energy: 572.0209610398958

minimum gb energy = 563.3284971550682 eV
minimum distance =  1.48045810316983 Angstroms
sigma value = 25


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

Energy: 688.692816307726
Energy: 698.9544964301685
Energy: 710.4438964208578
Energy: 698.9544964301685
Energy: 693.3441255293242
Energy: 695.3607572931866
Energy: 698.4239282167403
Energy: 695.3607572931866
Energy: 698.57912856807
Energy: 690.456815117314
Energy: 696.9929303237317
Energy: 690.456815117314
Energy: 690.0672370053315
Energy: 699.9726218911838
Energy: 699.2549092648593
Energy: 699.9726218911838
Energy: 699.2275145312806
Energy: 697.830132376689
Energy: 698.2832392536849
Energy: 697.830132376689
Energy: 695.2011641221445
Energy: 690.1325212000287
Energy: 699.6115037334736
Energy: 690.1325212000315
Energy: 698.4571781438242
Energy: 699.6766468825435
Energy: 698.349012072407
Energy: 699.6766468825435
Energy: 699.7685199922904
Energy: 699.0129425612399
Energy: 688.8362197069358
Energy: 699.0129425612399
Energy: 696.93926723557
Energy: 694.754579220766
Energy: 692.7282684347397
Energy: 694.754579220766
Energy: 689.1327107203631
Energy: 691.3413432130288
Energy: 698.0627441131186
Energy: 691.3413432130318
Energy: 702.6657749068631
Energy: 700.3531386826436
Energy: 699.1400213674414
Energy: 700.3531386826436
Energy: 698.6820746296656
Energy: 692.3750053324945
Energy: 689.100687123
Energy: 692.3750053324945
Energy: 704.037940413057
Energy: 690.0661968950451
Energy: 695.0821268774907
Energy: 690.0661968950423
Energy: 697.4984888214198
Energy: 699.6788388320211
Energy: 690.152000429492
Energy: 699.6788388320211
Energy: 696.20416441659
Energy: 699.0852342531216
Energy: 699.4801032168899
Energy: 699.0852342531216
Energy: 692.6005237202256
Energy: 690.2464927493909
Energy: 695.6373090760005
Energy: 690.2464927493909
Energy: 698.5140814078497
Energy: 697.5898715336455
Energy: 689.1120243281787
Energy: 697.5898715336455

minimum gb energy = 688.692816307726 eV
minimum distance =  1.34991927001446 Angstroms
sigma value = 17


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

Energy: 815.842763718728
Energy: 816.1780600245826
Energy: 836.1540447775211
Energy: 816.1780600245812
Energy: 819.4596979520604
Energy: 820.4003862873059
Energy: 821.3946112570775
Energy: 820.4003862873059
Energy: 821.042481894335
Energy: 822.8319668888312
Energy: 820.7974945806874
Energy: 822.8319668888292
Energy: 820.1772464861942
Energy: 818.5988317655522
Energy: 821.6470477198029
Energy: 818.5988317655522
Energy: 813.3678892909617
Energy: 818.3277325488626
Energy: 820.1622873145382
Energy: 818.3277325488608
Energy: 814.6033429851027
Energy: 816.5776629985154
Energy: 828.9060920101572
Energy: 816.5776629985154
Energy: 821.1885362045023
Energy: 819.9622770447454
Energy: 821.1396904966487
Energy: 819.9622770447454
Energy: 826.81344773131
Energy: 816.8108327174165
Energy: 815.0303091416185
Energy: 816.8108327174165
Energy: 815.5570963009808
Energy: 821.090080093675
Energy: 818.7390520060565
Energy: 821.090080093675
Energy: 816.1721754736614
Energy: 813.7065255088947
Energy: 821.0242947570166
Energy: 813.7065255088947
Energy: 818.7942349465155
Energy: 816.7769347617101
Energy: 821.0885243918669
Energy: 816.7769347617101
Energy: 815.7318267443869
Energy: 819.6761404792904
Energy: 816.5930837920873
Energy: 819.6761404792904
Energy: 821.7521543566536
Energy: 816.2802777694427
Energy: 815.7473285067852
Energy: 816.2802777694427
Energy: 819.9036535520465
Energy: 814.2278401788814
Energy: 818.0472006425773
Energy: 814.2278401788814
Energy: 816.483352581713
Energy: 822.0082160016556
Energy: 816.3162013344369
Energy: 822.0082160016556
Energy: 819.311019456801
Energy: 817.0178656815305
Energy: 824.9368525888218
Energy: 817.017865681532
Energy: 821.664664524667
Energy: 822.4961382584837
Energy: 816.2596331455868
Energy: 822.4961382584837
Energy: 825.3793486862508
Energy: 822.6940850472097
Energy: 814.6171579517861
Energy: 822.6940850472063
Energy: 818.629406928172
Energy: 819.2807514927829
Energy: 819.0596581446517
Energy: 819.2807514927829
Energy: 820.8798611191013
Energy: 817.6990922892604
Energy: 821.3235102734874
Energy: 817.6990922892604
Energy: 822.9616012013319
Energy: 821.8084766482343
Energy: 819.2554127239156
Energy: 821.8084766482327
Energy: 822.0413341277783
Energy: 820.6922020384707
Energy: 817.5352962137192
Energy: 820.6922020384707
Energy: 826.0725321947072
Energy: 816.6791011731219
Energy: 818.7440795331154
Energy: 816.6791011731219
Energy: 815.7272137251138
Energy: 819.7524098498242
Energy: 821.975203770147
Energy: 819.7524098498242
Energy: 815.7059766996507
Energy: 822.2297765133078
Energy: 821.2553006824382
Energy: 822.2297765133078
Energy: 824.3558187034741
Energy: 817.0903010384947
Energy: 818.9598926952731
Energy: 817.0903010384947
Energy: 821.6617591307249
Energy: 819.7498080858054
Energy: 810.8296699135826
Energy: 819.7498080858054
Energy: 825.3715080683661
Energy: 816.9021770431068
Energy: 818.717345834576
Energy: 816.9021770431068
Energy: 817.0218462948684
Energy: 818.6452782369398
Energy: 821.1725020484412
Energy: 818.6452782369398
Energy: 814.8437834563986
Energy: 819.2480910957919
Energy: 824.589016159316
Energy: 819.2480910957919

minimum gb energy = 810.8296699135826 eV
minimum distance =  1.38867405387723 Angstroms
sigma value = 53


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

Energy: 708.2751721372568
Energy: 711.5722308172342
Energy: 726.9605713789355
Energy: 711.5722308172342
Energy: 703.6936648857867
Energy: 718.0782079156613
Energy: 720.0978113754743
Energy: 718.0782079156605
Energy: 710.3902421612693
Energy: 714.8298603407562
Energy: 720.1166737788558
Energy: 714.8298603407546
Energy: 710.4245216713705
Energy: 712.7818531501149
Energy: 719.3130201356889
Energy: 712.7818531501081
Energy: 703.6809472518318
Energy: 717.9988611856049
Energy: 720.2783087768319
Energy: 717.9988611856049
Energy: 708.2751721372568
Energy: 711.5722308172351
Energy: 726.9605713789355
Energy: 711.5722308172342
Energy: 703.6936648857867
Energy: 718.0782079156618
Energy: 720.0978113754743
Energy: 718.0782079156618
Energy: 710.3902421612693
Energy: 714.8298603407562
Energy: 720.116673778855
Energy: 714.8298603407551
Energy: 710.4245216713709
Energy: 712.7818531501257
Energy: 719.3130201357587
Energy: 712.7818531501138
Energy: 703.6809472518321
Energy: 717.9988611856056
Energy: 720.2783087768327
Energy: 717.9988611856053
Energy: 708.2751721372564
Energy: 711.5722308172342
Energy: 726.9605713789351
Energy: 711.5722308172342
Energy: 703.6936648857863
Energy: 718.0782079156613
Energy: 720.0978113754747
Energy: 718.0782079156609
Energy: 710.3902421612693
Energy: 714.8298603407562
Energy: 720.1166737788558
Energy: 714.8298603407546

minimum gb energy = 703.6809472518318 eV
minimum distance =  1.34627539539002 Angstroms
sigma value = 9


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

Energy: 956.6589010331503
Energy: 961.7999128438605
Energy: 972.1522393433124
Energy: 961.7999128438605
Energy: 959.3523404558332
Energy: 963.6313338275155
Energy: 960.9645138111965
Energy: 963.6313338275141
Energy: 964.746122830633
Energy: 964.312773013045
Energy: 963.4980041808315
Energy: 964.3127730116876
Energy: 965.6004977319815
Energy: 963.9579835771139
Energy: 960.7778891272377
Energy: 963.9579835771126
Energy: 964.4265605564412
Energy: 959.4637965366143
Energy: 964.418618563307
Energy: 959.4637965366143
Energy: 960.4915210097541
Energy: 962.9114887027731
Energy: 972.198758705051
Energy: 962.9114887027744
Energy: 959.5117432512715
Energy: 965.088847711988
Energy: 960.768466656687
Energy: 965.088847711988
Energy: 960.114333894531
Energy: 963.5928812302362
Energy: 964.1750077799796
Energy: 963.5928812302362
Energy: 966.477201918236
Energy: 957.4612381159305
Energy: 960.4979196806468
Energy: 957.4612381159305
Energy: 966.2125845142706
Energy: 962.657173991673
Energy: 960.637560644409
Energy: 962.657173991673
Energy: 959.6105067958115
Energy: 962.4655909601753
Energy: 971.1946163327967
Energy: 962.4655909601753
Energy: 960.2128775303022
Energy: 959.8705625851987
Energy: 965.0500449081845
Energy: 959.8705625851987
Energy: 965.2309256950904
Energy: 960.5332908660292
Energy: 961.6779925489598
Energy: 960.5332908660292
Energy: 966.0258189822964
Energy: 962.1434372607986
Energy: 956.6388018196677
Energy: 962.1434372607973
Energy: 960.7705883045896
Energy: 960.1903930570787
Energy: 962.5572059055224
Energy: 960.1903930570787
Energy: 963.8373045189747
Energy: 957.525802079102
Energy: 969.331026673685
Energy: 957.525802079102
Energy: 962.8521646151167
Energy: 962.4575952585137
Energy: 960.7919612178813
Energy: 962.4575952585137
Energy: 960.2005952710401
Energy: 963.0061648972666
Energy: 964.0059622675972
Energy: 963.0061648972666
Energy: 970.5790347724746
Energy: 959.3710411042414
Energy: 960.621657414404
Energy: 959.3710411042414
Energy: 965.2710214046039
Energy: 959.192665976335
Energy: 957.6836520407893
Energy: 959.192665976335
Energy: 964.2515892285619
Energy: 962.6022705224688
Energy: 963.7649098093883
Energy: 962.6022705224672
Energy: 957.0785385564739
Energy: 961.3225564096264
Energy: 965.9280520331074
Energy: 961.3225564096251
Energy: 960.5527996078231
Energy: 959.3270160698198
Energy: 967.1667231972841
Energy: 959.3270160698198
Energy: 970.2783683837649
Energy: 962.712935937854
Energy: 959.8217777335685
Energy: 962.7129359378526
Energy: 960.9496312526277
Energy: 965.3234352092276
Energy: 957.2380022273832
Energy: 965.3234352092261
Energy: 967.6121970272836
Energy: 963.3105459013975
Energy: 963.9135754717661
Energy: 963.3105459013959
Energy: 959.8597053639429
Energy: 959.6871678886981
Energy: 965.8834660572259
Energy: 959.6871678886968
Energy: 956.7323948172983
Energy: 963.0093086070168
Energy: 965.9158926758882
Energy: 963.0093086070152
Energy: 965.9734604640655
Energy: 963.4770138007271
Energy: 963.1111504591676
Energy: 963.4770138007285
Energy: 961.0660808312476
Energy: 965.0143086402497
Energy: 957.47386731732
Energy: 965.0143086402497
Energy: 970.4317120282383
Energy: 962.4104951447304
Energy: 959.6947179744429
Energy: 962.4104951447304
Energy: 960.5161515637487
Energy: 962.3876196095839
Energy: 967.0169820879584
Energy: 962.3876196095839
Energy: 961.6988153028927
Energy: 960.8675464949384
Energy: 965.8977016409302
Energy: 960.8675464949372
Energy: 965.6602616947645
Energy: 962.7414311262812
Energy: 964.328447586973
Energy: 962.7414311262812
Energy: 964.651954791268
Energy: 956.4204228142228
Energy: 960.9941708466372
Energy: 956.4204228142228

minimum gb energy = 956.4204228142228 eV
minimum distance =  1.4325733504145 Angstroms
sigma value = 73


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

Energy: 602.2507499030825
Energy: 602.6507733155128
Energy: 618.8232600304498
Energy: 602.6507733155128
Energy: 600.9705160592079
Energy: 602.0954001928957
Energy: 603.7920448093251
Energy: 602.0954001928957
Energy: 603.6965474519751
Energy: 607.2960000851606
Energy: 605.9183377273062
Energy: 607.2960000851606
Energy: 610.0179088177451
Energy: 603.2785394118696
Energy: 602.3226819826082
Energy: 603.2785394118696
Energy: 610.96406026189
Energy: 602.8672527543455
Energy: 608.4018080952499
Energy: 602.8672527543455
Energy: 601.6771700899573
Energy: 605.8968611239219
Energy: 616.6138436931749
Energy: 605.8968611239219
Energy: 601.1547083319933
Energy: 609.8715463146075
Energy: 603.7420144034492
Energy: 609.8715463146075
Energy: 609.0648459602431
Energy: 606.2537207866188
Energy: 607.2417681112165
Energy: 606.2537207866188
Energy: 612.5145631634517
Energy: 604.8767047121929
Energy: 603.2939060577248
Energy: 604.8767047121929
Energy: 603.6923563248432
Energy: 607.5926135633756
Energy: 604.5792361812779
Energy: 607.5926135633778
Energy: 607.5153290264639
Energy: 605.4752406951256
Energy: 610.0980253026627
Energy: 605.4752406951256
Energy: 605.4496778967905
Energy: 604.6928121651475
Energy: 610.1786843498562
Energy: 604.6928121651497
Energy: 602.180071527606
Energy: 609.9207228218241
Energy: 607.7821166638272
Energy: 609.9207228218241
Energy: 615.9750081984392
Energy: 608.1743875861955
Energy: 601.8683549703688
Energy: 608.1743875861955
Energy: 608.0556100694578
Energy: 600.4572713427902
Energy: 605.5532805026673
Energy: 600.4572713427902
Energy: 611.4469069010232
Energy: 605.1266381726501
Energy: 607.5388503847963
Energy: 605.1266381726501
Energy: 602.5701973068135
Energy: 604.5133911300421
Energy: 603.8723197865677
Energy: 604.5133911300421
Energy: 602.1331118650671
Energy: 603.2358066069619
Energy: 604.2583507561812
Energy: 603.2358066069619
Energy: 609.8206282001277
Energy: 605.0359035559263
Energy: 608.0151575744878
Energy: 605.0359035559263
Energy: 603.9684175645439
Energy: 601.8257116839668
Energy: 599.9370573121935
Energy: 601.8257116839668
Energy: 616.2236119257024
Energy: 605.9238616311324
Energy: 601.8353679691093
Energy: 605.9238616311302
Energy: 602.3737104714999
Energy: 602.9421226122831
Energy: 607.817987620361
Energy: 602.9421226122831

minimum gb energy = 599.9370573121935 eV
minimum distance =  1.40647625911148 Angstroms
sigma value = 7


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

Energy: 855.3304002062839
Energy: 855.1159476930906
Energy: 867.6069310041274
Energy: 855.1159476930906
Energy: 859.708834088228
Energy: 854.5638967589036
Energy: 854.9815458700513
Energy: 854.563896758902
Energy: 859.4893356404059
Energy: 856.6251568643197
Energy: 860.6730892004445
Energy: 856.6251568643197
Energy: 864.15731487866
Energy: 853.3521376920513
Energy: 854.5994713217327
Energy: 853.3521376920496
Energy: 860.9736787395591
Energy: 855.4612495148654
Energy: 859.1777278381594
Energy: 855.4612495148654
Energy: 858.5069218127404
Energy: 855.8829941639985
Energy: 866.2938220512892
Energy: 855.8829941639985
Energy: 853.594135970613
Energy: 859.2735786324486
Energy: 860.1748625308553
Energy: 859.2735786324503
Energy: 859.2338855130112
Energy: 856.7070961582665
Energy: 864.8095448163905
Energy: 856.7070961582649
Energy: 865.2803233246937
Energy: 859.1281067155383
Energy: 854.1893274592927
Energy: 859.1281067155398
Energy: 860.0240931931584
Energy: 856.3285208334189
Energy: 856.7038235402579
Energy: 856.3285208334189
Energy: 864.6725258011295
Energy: 856.3160880248358
Energy: 858.487874978622
Energy: 856.3160880248374
Energy: 855.3741523616332
Energy: 856.6960080652924
Energy: 860.0213980886567
Energy: 856.6960080652924
Energy: 854.9954805146905
Energy: 856.1976130102981
Energy: 859.9021218207398
Energy: 856.1976130102981
Energy: 860.7485078155103
Energy: 860.7256291827395
Energy: 859.2820990278699
Energy: 860.7256291827458
Energy: 859.8361277991694
Energy: 856.2484932921205
Energy: 853.862946715286
Energy: 856.2484932921191
Energy: 869.8953400333647
Energy: 860.3281369688409
Energy: 854.0968324250024
Energy: 860.3281369688361
Energy: 859.6266019492666
Energy: 856.3534814876302
Energy: 858.6506433279429
Energy: 856.3534814876302
Energy: 858.0744251747976
Energy: 860.4788913169245
Energy: 859.9574792999949
Energy: 860.4788913169277
Energy: 859.029143716053
Energy: 857.0829598517097
Energy: 859.7014487382944
Energy: 857.0829598517097
Energy: 860.1094066071663
Energy: 856.2976712641914
Energy: 860.8860648625811
Energy: 856.2976712641914
Energy: 866.8952254275125
Energy: 856.7059207010176
Energy: 854.1144029381007
Energy: 856.7059207010192
Energy: 859.6724587025371
Energy: 858.8372772568717
Energy: 859.7457056122349
Energy: 858.8372772568717
Energy: 856.0006547936401
Energy: 860.4517062117142
Energy: 859.0329589718161
Energy: 860.4517062117156
Energy: 855.2153245890345
Energy: 855.3274974438954
Energy: 865.7442407904886
Energy: 855.3274974438972
Energy: 853.3519375043562
Energy: 856.8858011276288
Energy: 857.9125529553578
Energy: 856.885801127627
Energy: 863.0283144217155
Energy: 856.0988048095345
Energy: 859.5601015988318
Energy: 856.0988048095345
Energy: 860.4264452117758
Energy: 854.1304963822934
Energy: 857.8805425004686
Energy: 854.1304963822918
Energy: 864.5806488282973
Energy: 855.2915882947364
Energy: 854.3747869573419
Energy: 855.2915882947364
Energy: 858.7908650775203
Energy: 855.6135876104406
Energy: 864.7335359580818
Energy: 855.613587610439
Energy: 857.6712277542281
Energy: 853.305946477801
Energy: 854.9235652989469
Energy: 853.305946477801
Energy: 858.7887584662103
Energy: 855.6117846761528
Energy: 866.1852073960274
Energy: 855.6117846761528

minimum gb energy = 853.305946477801 eV
minimum distance =  1.43721711673306 Angstroms
sigma value = 29


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

Energy: 624.2681123572821
Energy: 638.5704759929563
Energy: 648.183922721558
Energy: 638.5704759929586
Energy: 634.5892029300454
Energy: 628.3811146215584
Energy: 625.9644680765624
Energy: 628.3811146215584
Energy: 638.3269155265616
Energy: 626.2016314519257
Energy: 632.3042993806162
Energy: 626.2016314519257
Energy: 625.9807736389281
Energy: 632.2571938533239
Energy: 626.0217955124218
Energy: 632.2571938533239
Energy: 623.4757266163704
Energy: 632.979033182872
Energy: 638.8414060818513
Energy: 632.9790331828724
Energy: 638.8789123578133
Energy: 625.4452994902567
Energy: 638.9279199723339
Energy: 625.4452994902567
Energy: 638.7995962790388
Energy: 632.8802751365051
Energy: 623.4743414639702
Energy: 632.880275136507
Energy: 626.0305703870193
Energy: 632.2082938828186
Energy: 625.9300225674535
Energy: 632.2082938828191
Energy: 632.2542579884285
Energy: 626.2614273382895
Energy: 638.1986162825195
Energy: 626.2614273382891

minimum gb energy = 623.4743414639702 eV
minimum distance =  1.43721711673309 Angstroms
sigma value = 5


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

Energy: 902.6586738591138
Energy: 907.9212592199059
Energy: 921.1506685026055
Energy: 907.9212592199045
Energy: 908.3968725960196
Energy: 907.7510862719446
Energy: 911.8742504605402
Energy: 907.7510862719446
Energy: 910.7659318116678
Energy: 912.7180803944482
Energy: 913.506461503
Energy: 912.7180803944498
Energy: 915.8378680458377
Energy: 908.7617990399962
Energy: 906.2990091814714
Energy: 908.7617990399962
Energy: 906.7394229286352
Energy: 906.7584785555555
Energy: 909.5124922702785
Energy: 906.7584785555539
Energy: 916.3523680960279
Energy: 908.7806462253948
Energy: 910.5766628097076
Energy: 908.7806462253948
Energy: 911.3726618619024
Energy: 905.9166256060157
Energy: 911.8205427213383
Energy: 905.9166256060142
Energy: 911.9736239657038
Energy: 910.0350404153697
Energy: 911.3057884367951
Energy: 910.0350404153697
Energy: 907.6647520760744
Energy: 906.5308604386802
Energy: 912.8519736359708
Energy: 906.5308604386787
Energy: 906.4277013956533
Energy: 905.6241423769292
Energy: 914.8198339322445
Energy: 905.6241423769292
Energy: 915.379760593237
Energy: 909.7078602387627
Energy: 910.1373886999113
Energy: 909.7078602387627
Energy: 911.8810898099684
Energy: 910.2726572335885
Energy: 907.9202713230183
Energy: 910.2726572335902
Energy: 917.8787040787778
Energy: 908.6917162493364
Energy: 908.3423657614751
Energy: 908.6917162493364
Energy: 906.5752140789832
Energy: 909.780103475805
Energy: 908.139090991313
Energy: 909.7801034758065
Energy: 908.7271145431586
Energy: 909.8891797226454
Energy: 911.6166843303391
Energy: 909.889179722644
Energy: 906.1974525982116
Energy: 912.7538625150917
Energy: 920.5036589403243
Energy: 912.7538625150946
Energy: 907.9567606529812
Energy: 910.579275337538
Energy: 911.6809247146689
Energy: 910.5792753375396
Energy: 905.8825936080416
Energy: 908.1791570703696
Energy: 916.998108991525
Energy: 908.1791570703696
Energy: 910.6007000065202
Energy: 905.7061022535221
Energy: 911.4894376348443
Energy: 905.7061022535221
Energy: 911.1131589189482
Energy: 906.8639196451553
Energy: 910.5939332974635
Energy: 906.8639196451462
Energy: 916.5113875740814
Energy: 909.9560412231215
Energy: 906.3999955554904
Energy: 909.9560412231215
Energy: 906.7064570032046
Energy: 905.6571020328735
Energy: 906.7402732660425
Energy: 905.6571020328735
Energy: 910.6140605782881
Energy: 908.9427045046091
Energy: 914.4166952281132
Energy: 908.9427045046091
Energy: 907.2101308257458
Energy: 904.1840052021454
Energy: 911.372255115534
Energy: 904.1840052021635
Energy: 908.0145934978506
Energy: 906.077261994956
Energy: 911.9019044104732
Energy: 906.077261994956
Energy: 907.7015326430978
Energy: 908.635847984371
Energy: 906.4411691840075
Energy: 908.635847984371
Energy: 911.6981782768394
Energy: 911.5258140529713
Energy: 910.7018735553959
Energy: 911.525814052973
Energy: 920.373988295312
Energy: 909.773615289037
Energy: 906.1145033884851
Energy: 909.773615289037
Energy: 912.1313108681684
Energy: 907.7672534058331
Energy: 905.5014974423572
Energy: 907.7672534058331
Energy: 917.4172757954212
Energy: 908.7377343996909
Energy: 906.1465813240062
Energy: 908.7377343996909
Energy: 909.4838052453339
Energy: 910.9738694634399
Energy: 916.7153093515356
Energy: 910.9738694634382
Energy: 908.096810536084
Energy: 911.749652485634
Energy: 911.703047846328
Energy: 911.749652485634
Energy: 906.1324360231246
Energy: 909.9246588460857
Energy: 918.3343731448382
Energy: 909.9246588460841

minimum gb energy = 902.6586738591138 eV
minimum distance =  1.2977876509567 Angstroms
sigma value = 1


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

Energy: 657.622431598134
Energy: 657.5658560228355
Energy: 669.9825864324429
Energy: 657.5658560228355
Energy: 653.6686276714689
Energy: 659.4703645198549
Energy: 655.5874909487894
Energy: 659.4703645198508
Energy: 661.2618457670352
Energy: 658.369375668608
Energy: 665.8073314964774
Energy: 658.369375668608
Energy: 662.5185394856735
Energy: 658.8604623650818
Energy: 655.2655678317276
Energy: 658.8604623650818
Energy: 662.2396478052309
Energy: 655.3456244563488
Energy: 658.8293063998997
Energy: 655.3456244563488
Energy: 664.8982371995298
Energy: 658.953661030882
Energy: 654.9247137130635
Energy: 658.9536610308779
Energy: 661.547713275208
Energy: 654.2967734954159
Energy: 661.6163594541463
Energy: 654.2967734954159
Energy: 662.5951808169023
Energy: 659.7555871805192
Energy: 661.6924977466001
Energy: 659.7555871805213
Energy: 656.3688832705062
Energy: 655.4734731809367
Energy: 661.7908192959231
Energy: 655.4734731809367
Energy: 656.3662693512937
Energy: 655.5396068776757
Energy: 661.1571481035531
Energy: 655.5396068776757
Energy: 662.6082408250651
Energy: 659.1200636811192
Energy: 661.6388829105671
Energy: 659.1200636811171
Energy: 661.5929028902555
Energy: 654.2540901092617
Energy: 659.8122278880343
Energy: 654.2540901092617
Energy: 664.8838061820765
Energy: 659.0029254625877
Energy: 654.9213204718914
Energy: 659.0029254625877
Energy: 662.2797926243354
Energy: 655.3228356280426
Energy: 658.8996990438789
Energy: 655.3228356280426
Energy: 662.4890646489836
Energy: 658.8964413550954
Energy: 655.2608150119818
Energy: 658.8964413550932
Energy: 661.261962557463
Energy: 658.3809188939842
Energy: 663.4901708474523
Energy: 658.3809188939842
Energy: 653.676615916041
Energy: 659.4679808694597
Energy: 655.5845107803518
Energy: 659.4679808694576
Energy: 657.622431598134
Energy: 657.5658560228355
Energy: 670.9260197340757
Energy: 657.5658560228355
Energy: 653.6686276714689
Energy: 659.4703645198549
Energy: 655.5874909487873
Energy: 659.4703645198529
Energy: 661.2618457670352
Energy: 658.369375668608
Energy: 663.3897600494372
Energy: 658.369375668608
Energy: 662.5185394856735
Energy: 658.8604623650818
Energy: 655.2655678317276
Energy: 658.8604623650818
Energy: 662.2396478052309
Energy: 655.3456244563488
Energy: 656.7561179959258
Energy: 655.3456244563488
Energy: 664.8982371995277
Energy: 658.953661030882
Energy: 654.9247137130615
Energy: 658.9536610308801
Energy: 661.5477132752101
Energy: 654.2967734954159
Energy: 660.6830508615178
Energy: 654.2967734954159

minimum gb energy = 653.6686276714689 eV
minimum distance =  1.43721711673305 Angstroms
sigma value = 17


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

Energy: 1060.357841347908
Energy: 1060.8333092786295
Energy: 1077.171065602775
Energy: 1060.833309278627
Energy: 1062.6914154733308
Energy: 1063.2117757044616
Energy: 1063.0638738004473
Energy: 1063.2117757044616
Energy: 1062.2475691704603
Energy: 1067.1353557172429
Energy: 1069.9117763787076
Energy: 1067.1353557172445
Energy: 1071.7742929907868
Energy: 1066.1522809272603
Energy: 1062.9056812817964
Energy: 1066.1522809272683
Energy: 1067.0994364382195
Energy: 1060.028676297266
Energy: 1064.420954214616
Energy: 1060.0286762972635
Energy: 1072.6380095599995
Energy: 1061.7407226478888
Energy: 1059.291278058472
Energy: 1061.7407226478877
Energy: 1063.0764550035335
Energy: 1065.017256263759
Energy: 1064.0038725612105
Energy: 1065.017256263759
Energy: 1068.2843729292317
Energy: 1064.9091999397813
Energy: 1065.7404932496665
Energy: 1064.9091999397813
Energy: 1064.6502919970076
Energy: 1059.0918369626395
Energy: 1067.503505120101
Energy: 1059.0918369626354
Energy: 1065.1289635449343
Energy: 1059.6934257408873
Energy: 1062.7980461751977
Energy: 1059.6934257408861
Energy: 1063.5696812015435
Energy: 1066.5796287460773
Energy: 1067.4382883058533
Energy: 1066.5796287460744
Energy: 1063.031542756589
Energy: 1061.6194139044537
Energy: 1067.5962440824544
Energy: 1061.6194139044537
Energy: 1070.3219381710005
Energy: 1061.6401112300364
Energy: 1062.0857376482288
Energy: 1061.6401112300348
Energy: 1067.7344342170206
Energy: 1059.697583320641
Energy: 1059.8739637151991
Energy: 1059.6975833206395
Energy: 1067.9663019599552
Energy: 1064.915394500235
Energy: 1060.1454969231795
Energy: 1064.9153945002333
Energy: 1062.5280563152473
Energy: 1067.1023745813043
Energy: 1062.5228854201441
Energy: 1067.1023745813031
Energy: 1066.8944524146718
Energy: 1064.7856911223926
Energy: 1063.3307581707065
Energy: 1064.7856911223926
Energy: 1062.8478498513239
Energy: 1061.1148411775728
Energy: 1073.2308980817008
Energy: 1061.1148411775714
Energy: 1060.1502326465472
Energy: 1063.1839552595886
Energy: 1063.1200930209523
Energy: 1063.1839552595875
Energy: 1059.3187621198576
Energy: 1066.5248712434804
Energy: 1076.3621606729769
Energy: 1066.5248712434777
Energy: 1064.8980768195079
Energy: 1065.2804761253622
Energy: 1063.194825342672
Energy: 1065.2804761253608
Energy: 1063.1425799042079
Energy: 1062.2357409460974
Energy: 1064.9695457377593
Energy: 1062.2357409460974
Energy: 1072.6719070580848
Energy: 1061.1509758984025
Energy: 1059.3889310463953
Energy: 1061.1509758984014
Energy: 1062.9741966297704
Energy: 1065.5739875495678
Energy: 1062.6501356915896
Energy: 1065.5739875495678
Energy: 1072.9773436174387
Energy: 1061.2500624516426
Energy: 1062.7946598437438
Energy: 1061.2500624516426
Energy: 1063.5674767053179
Energy: 1059.2961097056393
Energy: 1066.5950208084698
Energy: 1059.296109705638
Energy: 1065.0650716728521
Energy: 1062.307905465908
Energy: 1062.506108527974
Energy: 1062.307905465907
Energy: 1060.0540869123895
Energy: 1065.064129187048
Energy: 1067.6980818444526
Energy: 1065.0641291870495
Energy: 1059.849747662026
Energy: 1059.8202040132146
Energy: 1067.7546631542525
Energy: 1059.820204013216
Energy: 1062.527917838276
Energy: 1061.6838661281083
Energy: 1068.2839927270886
Energy: 1061.6838661281097
Energy: 1068.0757478127423
Energy: 1058.9408519592942
Energy: 1063.1069809064634
Energy: 1058.9408519592942
Energy: 1067.6549093882481
Energy: 1066.2072831302019
Energy: 1063.0624964498456
Energy: 1066.2072831302032
Energy: 1062.7262341827711
Energy: 1059.869622294153
Energy: 1062.6067021071938
Energy: 1059.869622294153
Energy: 1068.6803098017426
Energy: 1059.0255088740582
Energy: 1059.6374716780997
Energy: 1059.0255088740596
Energy: 1066.9366274604183
Energy: 1061.669520480817
Energy: 1066.8139856368618
Energy: 1061.6695204808157
Energy: 1064.416413068407
Energy: 1065.214089083918
Energy: 1063.1187408513256
Energy: 1065.214089083919
Energy: 1059.2389569515844
Energy: 1061.6635053341856
Energy: 1073.0156873636251
Energy: 1061.6635053341856
Energy: 1062.6428758804755
Energy: 1060.2469513092917
Energy: 1063.4051978267316
Energy: 1060.2469513092917

minimum gb energy = 1058.9408519592942 eV
minimum distance =  1.38878749716264 Angstroms
sigma value = 89


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

Energy: 608.6004926985946
Energy: 610.2774650744858
Energy: 624.7054865151007
Energy: 610.2774650744853
Energy: 608.7367010355174
Energy: 612.2913489135682
Energy: 610.2647438805767
Energy: 612.2913489135693
Energy: 607.7564131906868
Energy: 602.6620986786925
Energy: 617.2572939941371
Energy: 602.6620986786925
Energy: 619.21869575212
Energy: 605.7455959380853
Energy: 608.1686587543784
Energy: 605.7455959380853
Energy: 610.5413484736573
Energy: 613.6702148555595
Energy: 613.4512389267786
Energy: 613.6702148555595
Energy: 611.4844228986973
Energy: 613.4096900175102
Energy: 610.1318951084903
Energy: 613.4096900175097
Energy: 610.0392188111075
Energy: 602.4627934472733
Energy: 609.9672305205884
Energy: 602.4627934472736
Energy: 618.6614509262033
Energy: 602.4594555809888
Energy: 607.3158576645869
Energy: 602.4594555809888
Energy: 608.7116848356834
Energy: 613.5945543761674
Energy: 617.8314498607957
Energy: 613.5945543761663
Energy: 603.9356788243683
Energy: 613.6364578965564
Energy: 611.1064285541332
Energy: 613.6364578965547
Energy: 608.5068856909716
Energy: 607.9776257438805
Energy: 609.7243501114044
Energy: 607.97762574388
Energy: 607.8599374582323
Energy: 602.228695721434
Energy: 609.7003482372384
Energy: 602.2286957214343
Energy: 607.4686130277798
Energy: 612.6979018221876
Energy: 617.3028491541108
Energy: 612.6979018221886
Energy: 609.4711997182316
Energy: 613.5072257107918
Energy: 609.5684034074812
Energy: 613.5072257107913
Energy: 616.8209382780522
Energy: 613.0382187089317
Energy: 607.9270406782595
Energy: 613.038218708932

minimum gb energy = 602.228695721434 eV
minimum distance =  1.40293848093836 Angstroms
sigma value = 13


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

Energy: 964.8209340018407
Energy: 971.3192158735435
Energy: 985.3092456826768
Energy: 971.3192158735435
Energy: 967.0125083719278
Energy: 967.1953524963455
Energy: 973.6198008138291
Energy: 967.1953524963455
Energy: 967.8467093498606
Energy: 972.7073819443202
Energy: 980.3598738814331
Energy: 972.7073819443216
Energy: 972.4746436359659
Energy: 966.6033977534046
Energy: 973.5025067106521
Energy: 966.6033977534046
Energy: 968.1756301790457
Energy: 973.3586287711215
Energy: 973.6376616611361
Energy: 973.358628771123
Energy: 978.9182852205496
Energy: 966.2256080147455
Energy: 969.0244661804239
Energy: 966.2256080147455
Energy: 968.4186978085329
Energy: 969.765162108507
Energy: 972.2107489940498
Energy: 969.765162108507
Energy: 980.4135391830007
Energy: 966.2676828023243
Energy: 968.9303712674775
Energy: 966.2676828023256
Energy: 968.4818259265699
Energy: 969.3354513460079
Energy: 973.2415495708606
Energy: 969.3354513460079
Energy: 976.5716634028863
Energy: 966.5928551611586
Energy: 972.5355946979479
Energy: 966.5928551611586
Energy: 968.5095569093907
Energy: 966.3862534278073
Energy: 977.7401978357465
Energy: 966.3862534278073
Energy: 970.0121210760459
Energy: 967.4526197703781
Energy: 973.2479875759037
Energy: 967.4526197703781
Energy: 964.9404145825216
Energy: 969.5769461755222
Energy: 977.4841505162759
Energy: 969.5769461755222
Energy: 970.0834188889597
Energy: 967.2396926574704
Energy: 973.218629959151
Energy: 967.2396926574689
Energy: 967.9560578981358
Energy: 970.6637554583956
Energy: 977.9973169301497
Energy: 970.6637554583928
Energy: 973.8224836140639
Energy: 966.8293232121727
Energy: 973.4857556386231
Energy: 966.829323212174
Energy: 973.0750356727204
Energy: 972.6747086932294
Energy: 973.2772571017164
Energy: 972.6747086932294
Energy: 973.4466353201485
Energy: 970.2064494832357
Energy: 968.729810895581
Energy: 970.2064494832357
Energy: 973.2989963123603
Energy: 970.6190566981171
Energy: 969.307263480292
Energy: 970.6190566981171
Energy: 973.2995435039028
Energy: 970.6001162352196
Energy: 969.3156756611066
Energy: 970.6001162352196
Energy: 973.4407248226685
Energy: 970.2262316161997
Energy: 968.7262993542732
Energy: 970.2262316161997
Energy: 973.0724927067253
Energy: 970.973514825789
Energy: 973.2926984428623
Energy: 970.9735148257848
Energy: 973.8190832019725
Energy: 966.8659335745052
Energy: 973.4877599010216
Energy: 966.8659335745066
Energy: 967.951947080304
Energy: 970.6614131439167
Energy: 976.7529700300761
Energy: 970.6614131439094
Energy: 970.0799910021981
Energy: 967.2831860919981
Energy: 973.2216979972221
Energy: 967.2831860919981
Energy: 964.9372292333608
Energy: 969.6141857152571
Energy: 976.2145466515971
Energy: 969.6141857152587
Energy: 970.0091956443978
Energy: 967.4985475001262
Energy: 973.2524883934809
Energy: 967.4985475001262
Energy: 968.5078006557793
Energy: 966.3881472825908
Energy: 975.9179541667719
Energy: 966.3881472825908
Energy: 976.5994200243588
Energy: 966.6013934587569
Energy: 972.5338420613281
Energy: 966.6013934587569
Energy: 968.4820161586886
Energy: 969.3125405589102
Energy: 972.7734404765708
Energy: 969.3125405589102
Energy: 980.3861276276646
Energy: 966.2668853114805
Energy: 968.9272430755683
Energy: 966.2668853114819
Energy: 968.42039545161
Energy: 969.7450359106549
Energy: 970.8461344541109
Energy: 969.7450359106533
Energy: 978.902749088526
Energy: 966.2109447225811
Energy: 969.0213990090118
Energy: 966.2109447225797
Energy: 968.1792677650426
Energy: 973.3648548656638
Energy: 972.9272525203885
Energy: 973.3648548656597
Energy: 972.472875778143
Energy: 966.5983178342615
Energy: 973.4991529029238
Energy: 966.5983178342615

minimum gb energy = 964.8209340018407 eV
minimum distance =  1.42159472757946 Angstroms
sigma value = 37


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

Energy: 560.2775432224142
Energy: 562.636524985326
Energy: 579.5966216158661
Energy: 562.636524985326
Energy: 564.6295774848712
Energy: 563.9093444450889
Energy: 567.254148247324
Energy: 563.9093444450913
Energy: 566.6944902561888
Energy: 564.8827895608152
Energy: 577.353943725933
Energy: 564.8827895608152
Energy: 569.8976941146915
Energy: 563.6425028340949
Energy: 565.7651602978473
Energy: 563.6425028340949
Energy: 567.6443364250621
Energy: 563.1490935168964
Energy: 570.417585040724
Energy: 563.1490935168964
Energy: 577.2674090699135
Energy: 563.2451474577337
Energy: 566.6961998434725
Energy: 563.2451474577337
Energy: 567.5018867527384
Energy: 559.7784131616863
Energy: 564.2303028862477
Energy: 559.7784131616863
Energy: 570.5964041415735
Energy: 563.4410559255232
Energy: 560.3071159133939
Energy: 563.4410559255232
Energy: 567.8463027189933
Energy: 563.3768279816446
Energy: 565.9135925836102
Energy: 563.3768279816446
Energy: 576.6391190724346
Energy: 563.5494109710099
Energy: 566.4925534385281
Energy: 563.5494109710099
Energy: 567.4098679995068
Energy: 559.3598132760101
Energy: 568.8701998567634
Energy: 559.3598132760101
Energy: 566.3081447513504
Energy: 563.6978649438175
Energy: 568.0332599694246
Energy: 563.6978649438175
Energy: 567.7519209771957
Energy: 562.5138914216907
Energy: 574.5851986017775
Energy: 562.5138914216907
Energy: 564.3603859709493
Energy: 559.7627761150887
Energy: 567.7618443701709
Energy: 559.7627761150887
Energy: 560.4145677986878
Energy: 559.8637223165996
Energy: 568.7245039956432
Energy: 559.8637223165996
Energy: 560.9810659986325
Energy: 563.9044559368058
Energy: 568.3194288019047
Energy: 563.9044559368058
Energy: 567.415373477296
Energy: 563.114950087498
Energy: 575.5675025602376
Energy: 563.114950087498
Energy: 568.2985108804802
Energy: 559.2647216725328
Energy: 567.7176994072007
Energy: 559.2647216725328
Energy: 567.5058462323793
Energy: 563.0921208417986
Energy: 570.0226915107114
Energy: 563.0921208417986
Energy: 570.366284748353
Energy: 562.6673127016684
Energy: 568.5611975461503
Energy: 562.6673127016684

minimum gb energy = 559.2647216725328 eV
minimum distance =  1.37252353460884 Angstroms
sigma value = 25


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

Energy: 716.3357162692374
Energy: 725.293132076761
Energy: 738.2633637445241
Energy: 725.293132076761
Energy: 722.7952676869523
Energy: 722.0540586225645
Energy: 721.4191813043251
Energy: 722.0540586225645
Energy: 721.2238004318943
Energy: 725.2068170771058
Energy: 736.8726378619092
Energy: 725.2068170771097
Energy: 725.7534003051481
Energy: 722.1088987579593
Energy: 721.4107267149506
Energy: 722.1088987579575
Energy: 720.9457323649319
Energy: 721.9571693337165
Energy: 729.8697438536427
Energy: 721.9571693337165
Energy: 729.9141801357556
Energy: 721.9741848348947
Energy: 721.1576286807691
Energy: 721.9741848348947
Energy: 721.4505579594007
Energy: 725.4015237739751
Energy: 725.5651182483389
Energy: 725.4015237739751
Energy: 736.0798156327801
Energy: 718.4517534494335
Energy: 721.2789509799885
Energy: 718.4517534494335
Energy: 721.2017826845121
Energy: 722.0621251090955
Energy: 724.5113432505435
Energy: 722.0621251090955
Energy: 731.116497689756
Energy: 725.6018341840237
Energy: 716.3794052397506
Energy: 725.6018341840237
Energy: 721.6199800359338
Energy: 725.5315691076356
Energy: 722.5568104899471
Energy: 725.5315691076356
Energy: 735.8310776241419
Energy: 718.7077736748984
Energy: 721.1623377620587
Energy: 718.7077736748984
Energy: 721.361937953913
Energy: 722.0621509248042
Energy: 727.3423624462782
Energy: 722.0621509248042
Energy: 726.9897035393138
Energy: 725.8876630347349
Energy: 720.7986973758892
Energy: 725.8876630347388
Energy: 721.3920315894503
Energy: 725.2985016091698
Energy: 729.2469392476792
Energy: 725.2985016091679
Energy: 725.7155414727082
Energy: 718.6287523883105
Energy: 721.4941747465714
Energy: 718.6287523883105
Energy: 721.3250792615487
Energy: 718.1984146126896
Energy: 734.1532623192247
Energy: 718.1984146126896
Energy: 719.7544598634679
Energy: 722.4631028773229
Energy: 720.9888335609455
Energy: 722.4631028773229
Energy: 716.5302300227668
Energy: 724.9808310590654
Energy: 729.8068747882627
Energy: 724.9808310590636
Energy: 722.8216266099071
Energy: 718.8430324698725
Energy: 721.7968415895734
Energy: 718.8430324698725
Energy: 721.1477618489209
Energy: 718.6482618623993
Energy: 734.690212405355
Energy: 718.6482618624011
Energy: 722.2348170881722
Energy: 722.4725920884824
Energy: 721.3192987169432
Energy: 722.4725920884824
Energy: 720.8514701471149
Energy: 725.5276440949184
Energy: 726.7820979558609
Energy: 725.5276440949202
Energy: 728.9327750763812
Energy: 718.4506933072458
Energy: 721.6271840686186
Energy: 718.4506933072458
Energy: 721.6191934425403
Energy: 718.5381309196628
Energy: 726.1820642342268
Energy: 718.5381309196628
Energy: 730.0119645502946
Energy: 718.4291314598244
Energy: 721.3662286717625
Energy: 718.4291314598244

minimum gb energy = 716.3357162692374 eV
minimum distance =  1.38363726693019 Angstroms
sigma value = 41


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

Energy: 879.5125649108267
Energy: 879.0923907965525
Energy: 894.6353093913141
Energy: 879.0923907965525
Energy: 880.4696977715429
Energy: 883.4159980672842
Energy: 882.737723824249
Energy: 883.4159980672827
Energy: 876.5841533983966
Energy: 883.7156999360664
Energy: 893.7744834664633
Energy: 883.7156999360678
Energy: 882.6613447562114
Energy: 882.8319089600968
Energy: 882.7831929406194
Energy: 882.8319089600968
Energy: 882.0899653234499
Energy: 877.7900413019485
Energy: 889.295155129499
Energy: 877.7900413019485
Energy: 884.8914961826023
Energy: 883.6289541210754
Energy: 881.2661027513041
Energy: 883.6289541210754
Energy: 880.4411829619625
Energy: 883.4234793245406
Energy: 884.7875567831392
Energy: 883.4234793245422
Energy: 888.3823785507014
Energy: 880.9509076162315
Energy: 882.0629228373901
Energy: 880.9509076162315
Energy: 882.9213543528334
Energy: 880.9476448913558
Energy: 883.9004990894036
Energy: 880.9476448913558
Energy: 893.153255526435
Energy: 883.8832088804947
Energy: 876.6524298588299
Energy: 883.8832088804932
Energy: 881.5700801489916
Energy: 883.5197121081382
Energy: 880.4395200233135
Energy: 883.5197121081395
Energy: 890.8469350526808
Energy: 880.3005044235366
Energy: 880.0582908764788
Energy: 880.3005044235366
Energy: 882.9147990792296
Energy: 881.0591123882915
Energy: 882.7402928986321
Energy: 881.0591123882915
Energy: 892.9453117453519
Energy: 882.0576480093704
Energy: 876.6160787594586
Energy: 882.0576480093704
Energy: 881.7015186739181
Energy: 882.8884987991303
Energy: 882.3151245470249
Energy: 882.8884987991303
Energy: 886.058669632442
Energy: 881.1645874276621
Energy: 881.9664410390584
Energy: 881.1645874276621
Energy: 881.4483503797328
Energy: 881.4916579154757
Energy: 886.107028078496
Energy: 881.4916579154757
Energy: 884.9728183542857
Energy: 882.6755009959543
Energy: 880.9675986021537
Energy: 882.6755009959543
Energy: 880.9536156343281
Energy: 881.4135788111207
Energy: 888.052115491929
Energy: 881.4135788111207
Energy: 880.0057489525251
Energy: 881.088384958305
Energy: 882.9102982533569
Energy: 881.088384958305
Energy: 876.7735224856252
Energy: 881.6623604749064
Energy: 892.3009377154463
Energy: 881.6623604749064
Energy: 880.7185532111532
Energy: 878.9341165749942
Energy: 882.4425688287018
Energy: 878.9341165749942
Energy: 878.5206727150643
Energy: 879.6872387653152
Energy: 890.1682773160721
Energy: 879.6872387653137
Energy: 877.7849610598428
Energy: 881.1660147522176
Energy: 882.9959868922685
Energy: 881.1660147522176
Energy: 876.6424507960279
Energy: 881.7469077621489
Energy: 892.0052431189675
Energy: 881.7469077621489
Energy: 882.7154179454427
Energy: 877.2294021345602
Energy: 882.5652714888105
Energy: 877.2294021345602
Energy: 880.9378208212811
Energy: 881.2204607247492
Energy: 886.0166367899956
Energy: 881.2204607247492
Energy: 881.8921724103794
Energy: 881.552182618633
Energy: 881.5714558734795
Energy: 881.552182618633
Energy: 880.805903757573
Energy: 882.317244254598
Energy: 885.4483886815426
Energy: 882.317244254598
Energy: 887.996864589891
Energy: 875.5739319884276
Energy: 881.8246819358792
Energy: 875.5739319884276
Energy: 882.1236865322069
Energy: 881.4905729607224
Energy: 880.0169724474532
Energy: 881.4905729607224
Energy: 888.1590209620778
Energy: 881.6107189703803
Energy: 876.9040775769294
Energy: 881.6107189703803

minimum gb energy = 875.5739319884276 eV
minimum distance =  1.34218777705572 Angstroms
sigma value = 15


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

Energy: 1036.018141007239
Energy: 1042.5120986874417
Energy: 1055.8646977836916
Energy: 1042.5120986874406
Energy: 1040.3632758144515
Energy: 1042.64056868981
Energy: 1038.1768513348013
Energy: 1042.64056868981
Energy: 1034.5812366770786
Energy: 1042.6796403512828
Energy: 1054.2225308567963
Energy: 1042.6796403512828
Energy: 1042.0756302060013
Energy: 1042.4761798773866
Energy: 1038.2073141083954
Energy: 1042.476179877388
Energy: 1038.0946338441092
Energy: 1042.808200856549
Energy: 1050.4771563775296
Energy: 1042.808200856548
Energy: 1043.6918683011763
Energy: 1042.5416776915422
Energy: 1038.223538685693
Energy: 1042.5416776915447
Energy: 1037.954668993922
Energy: 1040.167078593432
Energy: 1046.367573456065
Energy: 1040.167078593431
Energy: 1046.3714870286917
Energy: 1040.051192179029
Energy: 1038.0781965610286
Energy: 1040.05119217903
Energy: 1038.2072906498422
Energy: 1040.464063370296
Energy: 1044.618006612493
Energy: 1040.464063370296
Energy: 1050.1835496323642
Energy: 1042.8351143479103
Energy: 1038.134013638267
Energy: 1042.835114347912
Energy: 1038.1383380087752
Energy: 1042.4540118360849
Energy: 1042.062283462634
Energy: 1042.4540118360862
Energy: 1053.994223546537
Energy: 1042.3136351096382
Energy: 1034.6360158756845
Energy: 1042.3136351096382
Energy: 1038.2167208600927
Energy: 1040.6311714703543
Energy: 1041.413191457703
Energy: 1040.6311714703543
Energy: 1050.758563301061
Energy: 1042.560894505729
Energy: 1036.023914796944
Energy: 1042.560894505729
Energy: 1038.1504374508677
Energy: 1042.9634225280845
Energy: 1040.2853670865456
Energy: 1042.963422528082
Energy: 1053.2178972293718
Energy: 1042.1777741589997
Energy: 1034.5756403049381
Energy: 1042.177774159001
Energy: 1038.2892572149103
Energy: 1040.4728889500745
Energy: 1043.0166429361673
Energy: 1040.4728889500745
Energy: 1048.0734835971732
Energy: 1042.4293027041679
Energy: 1038.0823816956274
Energy: 1042.4293027041665
Energy: 1038.252488731264
Energy: 1042.4993359214554
Energy: 1043.5651840684798
Energy: 1042.499335921458
Energy: 1046.5474521788226
Energy: 1042.4334153705954
Energy: 1037.8583098904433
Energy: 1042.4334153705954
Energy: 1038.222304930455
Energy: 1037.3352646887672
Energy: 1046.9832826606496
Energy: 1037.3352646887672
Energy: 1041.5185732562275
Energy: 1040.6045250758743
Energy: 1038.220479924483
Energy: 1040.604525075873
Energy: 1038.1848216343017
Energy: 1042.5649398243188
Energy: 1049.9253253255858
Energy: 1042.5649398243213
Energy: 1042.321378602902
Energy: 1042.0447578146482
Energy: 1038.082128396777
Energy: 1042.0447578146482
Energy: 1034.7459402852803
Energy: 1037.6499033767504
Energy: 1052.55858738035
Energy: 1037.6499033767504
Energy: 1037.9346044466101
Energy: 1040.7600448465932
Energy: 1038.2793651272407
Energy: 1040.7600448465905
Energy: 1036.0320429960063
Energy: 1042.702072057357
Energy: 1050.6163543123764
Energy: 1042.7020720573585
Energy: 1040.5413290828571
Energy: 1042.205067111207
Energy: 1038.1346327402143
Energy: 1042.2050671112058
Energy: 1034.6349960684115
Energy: 1037.8202545488557
Energy: 1053.3224855026388
Energy: 1037.8202545488557
Energy: 1039.6122787494555
Energy: 1040.5867261602468
Energy: 1038.3896495133222
Energy: 1040.5867261602455
Energy: 1038.0985983994397
Energy: 1042.361524315356
Energy: 1048.1429011196515
Energy: 1042.361524315356
Energy: 1043.7130458335757
Energy: 1042.0529953273215
Energy: 1038.287166651629
Energy: 1042.0529953273228
Energy: 1037.8273524335768
Energy: 1038.2177170352163
Energy: 1046.9256830715935
Energy: 1038.217717035215
Energy: 1043.6462940294584
Energy: 1037.4800083425546
Energy: 1038.3892383248576
Energy: 1037.4800083425546
Energy: 1042.4805592559817
Energy: 1043.1394688350865
Energy: 1041.535901970465
Energy: 1043.1394688350865
Energy: 1049.8212531236359
Energy: 1042.5635133955234
Energy: 1038.2412797141583
Energy: 1042.5635133955195
Energy: 1038.0723822636455
Energy: 1038.4208102227515
Energy: 1042.8427896872113
Energy: 1038.4208102227515

minimum gb energy = 1034.5756403049381 eV
minimum distance =  1.32158832426981 Angstroms
sigma value = 85


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

Energy: 593.6296714045496
Energy: 598.7272048822332
Energy: 614.7435276473599
Energy: 598.7272048822344
Energy: 599.2901791565888
Energy: 599.7864677072605
Energy: 599.7696506663178
Energy: 599.7864677072616
Energy: 597.2389261950533
Energy: 598.631316424729
Energy: 612.4362198533438
Energy: 598.631316424729
Energy: 600.6687116564217
Energy: 599.8054706801954
Energy: 599.7181468005434
Energy: 599.8054706801954
Energy: 595.4236455393191
Energy: 602.7772692702531
Energy: 609.3717736375119
Energy: 602.7772692702531
Energy: 601.9110616654762
Energy: 598.6679902926355
Energy: 599.76281795659
Energy: 598.6679902926355
Energy: 599.1893949497583
Energy: 597.7041233383903
Energy: 606.0837715205078
Energy: 597.7041233383903
Energy: 603.8296306308223
Energy: 599.9895560522888
Energy: 598.6851883832521
Energy: 599.9895560522888
Energy: 598.6588332237066
Energy: 601.7706545981265
Energy: 604.9830426185639
Energy: 601.770654598123
Energy: 606.134071860909
Energy: 598.7673457210578
Energy: 599.2078452809811
Energy: 598.767345721059
Energy: 599.7895215203022
Energy: 599.7413041114032
Energy: 601.9815435427245
Energy: 599.7413041114032
Energy: 609.2255242699063
Energy: 599.9232446948125
Energy: 595.442544850332
Energy: 599.9232446948114
Energy: 599.7140251681657
Energy: 601.8814759012555
Energy: 602.0215207916303
Energy: 601.8814759012578
Energy: 611.5740960416814
Energy: 598.7940221309932
Energy: 597.2522258187314
Energy: 598.7940221309932
Energy: 599.8135930898974
Energy: 599.888700952653
Energy: 599.3263923727676
Energy: 599.8887009526542
Energy: 611.1078413181918
Energy: 599.5113462642272
Energy: 594.0862527224507
Energy: 599.511346264226
Energy: 599.7458790372032
Energy: 601.8605145011625
Energy: 601.3464534934991
Energy: 601.8605145011592
Energy: 611.5609093819951
Energy: 598.7295853062465
Energy: 597.2330893524918
Energy: 598.7295853062454
Energy: 599.7863906815307
Energy: 599.8437890745489
Energy: 600.491857063431
Energy: 599.84378907455
Energy: 607.3204737796831
Energy: 600.0745114894314
Energy: 595.4102372287845
Energy: 600.0745114894303
Energy: 599.7668557318972
Energy: 600.7831669498514
Energy: 603.2996864089897
Energy: 600.7831669498479
Energy: 606.2503543754909
Energy: 600.642666326311
Energy: 599.1670361664209
Energy: 600.642666326311
Energy: 598.7743451325161
Energy: 600.0044516348381
Energy: 603.7508681930585
Energy: 600.0044516348393
Energy: 601.6940459199742
Energy: 597.6234688063448
Energy: 598.5832358693049
Energy: 597.6234688063436
Energy: 599.2208426704681
Energy: 600.213209763775
Energy: 606.5315293120358
Energy: 600.2132097637797
Energy: 602.183279998236
Energy: 600.0527549032405
Energy: 599.7921473367823
Energy: 600.0527549032405
Energy: 595.4979913225121
Energy: 600.0716354998261
Energy: 609.0968309115633
Energy: 600.0716354998273
Energy: 598.6406296831806
Energy: 597.7815963575567
Energy: 599.6360243883989
Energy: 597.7815963575567
Energy: 597.2477638872797
Energy: 599.3269972795053
Energy: 611.9144326168871
Energy: 599.3269972795053
Energy: 599.5691861531183
Energy: 600.2101121875244
Energy: 599.8611273053068
Energy: 600.2101121875244
Energy: 593.6553600994093
Energy: 598.9445353940257
Energy: 611.0306018866356
Energy: 598.9445353940257
Energy: 597.1289394958744
Energy: 597.7345064920663
Energy: 599.7101743241861
Energy: 597.7345064920663
Energy: 597.1771644676503
Energy: 599.1643109059714
Energy: 611.2515277851134
Energy: 599.1643109059714
Energy: 600.860048901132
Energy: 600.1771397268874
Energy: 599.8542976246854
Energy: 600.1771397268863
Energy: 595.4579488025347
Energy: 600.0625641013407
Energy: 607.4134128169733
Energy: 600.0625641013416
Energy: 599.737737845923
Energy: 596.6051562939186
Energy: 599.7522998534547
Energy: 596.6051562939174
Energy: 599.1121811702708
Energy: 600.474004897109
Energy: 606.5947538701382
Energy: 600.4740048971113
Energy: 603.9070157304443
Energy: 600.310426514347
Energy: 598.8770177898404
Energy: 600.310426514347
Energy: 598.5400282819148
Energy: 600.6074361824159
Energy: 601.7434212381497
Energy: 600.6074361824159
Energy: 603.7622249210983
Energy: 595.744848028149
Energy: 599.2117657442177
Energy: 595.7448480281478
Energy: 599.7979621426541
Energy: 600.5696725049895
Energy: 602.6057678522953
Energy: 600.5696725049895
Energy: 608.965134458344
Energy: 600.4556197923719
Energy: 595.587745380359
Energy: 600.4556197923719
Energy: 599.5753228314326
Energy: 600.7099940360631
Energy: 598.778135955353
Energy: 600.7099940360631

minimum gb energy = 593.6296714045496 eV
minimum distance =  1.29125880934076 Angstroms
sigma value = 113


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

Energy: 637.9849676151537
Energy: 642.8612425500924
Energy: 661.3116699153312
Energy: 642.8612425500941
Energy: 656.2093059776801
Energy: 627.7648224695677
Energy: 625.6657613978331
Energy: 627.7648224695677
Energy: 637.9849676151553
Energy: 642.8612425500933
Energy: 661.3116699153312
Energy: 642.861242550095
Energy: 656.209305977681
Energy: 627.7648224695677
Energy: 625.6657613978331
Energy: 627.7648224695669
Energy: 637.9849676151553
Energy: 642.8612425500916
Energy: 660.7077591379234
Energy: 642.8612425500933
Energy: 656.209305977681
Energy: 627.7648224695677
Energy: 625.6657613978331
Energy: 627.7648224695677

minimum gb energy = 625.6657613978331 eV
minimum distance =  1.81795183242266 Angstroms
sigma value = 1