Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.5402784093299027
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 347.26179958248645
Energy: 349.51136391973006
Energy: 347.26179958248696
Energy: 349.51136391973006
Energy: 347.26179958248645
Energy: 349.51136391973006
Energy: 349.51136391973006
Energy: 359.24626345173317
Energy: 349.51136391973006
Energy: 359.24626345173345
Energy: 349.51136391973006
Energy: 359.24626345173317
Energy: 347.26179958248696
Energy: 349.51136391973006
Energy: 347.26179958248696
Energy: 349.51136391973006
Energy: 347.26179958248645
Energy: 349.51136391973006
Energy: 349.51136391973006
Energy: 359.24626345173345
Energy: 349.51136391973006
Energy: 359.2462634517338
Energy: 349.51136391973006
Energy: 359.24626345173345
Energy: 347.26179958248645
Energy: 349.51136391973006
Energy: 347.2617995824861
Energy: 349.51136391973006
Energy: 347.26179958248696
Energy: 349.51136391973006
Energy: 349.51136391973006
Energy: 359.2462634517322
Energy: 349.51136391973006
Energy: 359.24626345173345
Energy: 349.51136391973006
Energy: 359.2462634517338

minimum gb energy = 347.2617995824861 eV
minimum distance =  2.3561695027078 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 552.7052056717143
Energy: 558.483406852292
Energy: 552.7052056717151
Energy: 558.4834068522929
Energy: 552.7052056717143
Energy: 558.4834068522913
Energy: 555.6473595468127
Energy: 561.1046789852937
Energy: 555.6473595468135
Energy: 561.1046789852929
Energy: 555.6473595468135
Energy: 561.1046789852929
Energy: 556.999652438423
Energy: 558.7470480398109
Energy: 556.9996524384222
Energy: 558.7470480398102
Energy: 556.9996524384222
Energy: 558.7470480398109
Energy: 557.2564815025412
Energy: 558.4433626910496
Energy: 557.2564815025405
Energy: 558.4433626910496
Energy: 557.2564815025397
Energy: 558.443362691049
Energy: 559.1737687088475
Energy: 558.4447623887713
Energy: 559.1737687088475
Energy: 558.4447623887713
Energy: 559.1737687088475
Energy: 558.4447623887713
Energy: 559.1241996490794
Energy: 558.3474536941637
Energy: 559.1241996490786
Energy: 558.3474536941629
Energy: 559.1241996490794
Energy: 558.3474536941615
Energy: 557.2034068657507
Energy: 555.6090931560846
Energy: 557.2034068657515
Energy: 555.609093156086
Energy: 557.2034068657515
Energy: 555.6090931560846
Energy: 558.3586126451272
Energy: 554.2924996385336
Energy: 558.358612645128
Energy: 554.2924996385336
Energy: 558.3586126451272
Energy: 554.2924996385336
Energy: 558.4500640899383
Energy: 555.6007993276587
Energy: 558.450064089939
Energy: 555.6007993276579
Energy: 558.4500640899383
Energy: 555.6007993276587
Energy: 561.1872602084665
Energy: 557.0610807731347
Energy: 561.1872602084657
Energy: 557.0610807731347
Energy: 561.1872602084657
Energy: 557.0610807731347
Energy: 557.2506835443273
Energy: 558.4791173698305
Energy: 557.2506835443273
Energy: 558.4791173698313
Energy: 557.2506835443273
Energy: 558.479117369832
Energy: 558.2922998730853
Energy: 557.3172029655054
Energy: 558.2922998730853
Energy: 557.3172029655046
Energy: 558.2922998730853
Energy: 557.3172029655054
Energy: 557.519051904583
Energy: 561.0422987320868
Energy: 557.519051904583
Energy: 561.0422987320868
Energy: 557.519051904583
Energy: 561.0422987320875
Energy: 555.5721506871176
Energy: 558.4390688411978
Energy: 555.5721506871176
Energy: 558.439068841197
Energy: 555.572150687117
Energy: 558.439068841197
Energy: 555.5429095292847
Energy: 559.7353692987055
Energy: 555.5429095292839
Energy: 559.735369298706
Energy: 555.5429095292847
Energy: 559.7353692987069
Energy: 555.577131279695
Energy: 558.5284473558822
Energy: 555.5771312796958
Energy: 558.5284473558816
Energy: 555.577131279695
Energy: 558.5284473558822
Energy: 558.9889634490768
Energy: 558.404326687121
Energy: 558.9889634490768
Energy: 558.4043266871219
Energy: 558.9889634490768
Energy: 558.404326687121
Energy: 558.4842122741617
Energy: 555.5883103814853
Energy: 558.4842122741617
Energy: 555.5883103814846
Energy: 558.4842122741601
Energy: 555.5883103814838
Energy: 561.2642325820393
Energy: 558.4753966840806
Energy: 561.2642325820393
Energy: 558.4753966840806
Energy: 561.2642325820393
Energy: 558.4753966840814
Energy: 556.0272580294476
Energy: 558.350732185125
Energy: 556.0272580294467
Energy: 558.3507321851266
Energy: 556.0272580294467
Energy: 558.3507321851258
Energy: 558.3243586076994
Energy: 558.4572801164671
Energy: 558.3243586077002
Energy: 558.4572801164671
Energy: 558.3243586076994
Energy: 558.4572801164671
Energy: 558.4891589357441
Energy: 555.5091710910852
Energy: 558.4891589357441
Energy: 555.5091710910852
Energy: 558.4891589357434
Energy: 555.5091710910852
Energy: 567.3285499408286
Energy: 555.8114367103311
Energy: 567.3285499408286
Energy: 555.8114367103318
Energy: 567.3285499408286
Energy: 555.8114367103318

minimum gb energy = 552.7052056717143 eV
minimum distance =  2.32455640476258 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 488.2340074696488
Energy: 488.6915487488922
Energy: 488.6342400743298
Energy: 488.6915487488922
Energy: 488.2340074696488
Energy: 488.69154874889267
Energy: 487.9968037384626
Energy: 489.2908889088079
Energy: 487.9968037384626
Energy: 489.2908889088079
Energy: 487.99680373846337
Energy: 489.29088890880837
Energy: 488.04809623901923
Energy: 489.60942036083065
Energy: 488.04809623901957
Energy: 489.6094203608302
Energy: 488.04809623901923
Energy: 489.6094203608302
Energy: 489.06143729982483
Energy: 489.4521649058188
Energy: 489.0614372998244
Energy: 489.45216490581913
Energy: 489.0614372998244
Energy: 489.4521649058188
Energy: 488.9562164351025
Energy: 482.9598978170796
Energy: 488.95621643510196
Energy: 482.9598978170796
Energy: 488.9562164351033
Energy: 482.95989781707914
Energy: 489.1844238416132
Energy: 488.46716154630093
Energy: 489.1844238416132
Energy: 488.46716154630013
Energy: 489.18442384161364
Energy: 488.4671615463053
Energy: 488.83640939860027
Energy: 489.02404249127864
Energy: 488.8364093986007
Energy: 489.0240424912777
Energy: 488.8364093986007
Energy: 489.02404249127807
Energy: 495.6641796070842
Energy: 488.26936010265473
Energy: 495.6641796070842
Energy: 488.2693601026555
Energy: 495.66417960708463
Energy: 488.2693601026552
Energy: 489.49863045676733
Energy: 488.03558186796215
Energy: 489.4986304567668
Energy: 488.03558186796175
Energy: 489.4986304567668
Energy: 488.03558186796175
Energy: 497.12979068693517
Energy: 486.16590377636567
Energy: 497.1297952038837
Energy: 486.16590377636567
Energy: 497.12979068693517
Energy: 486.16590377636567
Energy: 487.5745178271789
Energy: 495.87634432550806
Energy: 487.5745178271789
Energy: 495.87634432550806
Energy: 487.57451782717845
Energy: 495.87634432550846
Energy: 488.0356819954378
Energy: 489.15894563647555
Energy: 488.0356843862119
Energy: 489.1589456364752
Energy: 488.0356819954378
Energy: 489.1589456364752
Energy: 489.44015678883176
Energy: 491.34915363396544
Energy: 489.44015678883255
Energy: 491.3491536339659
Energy: 489.44015678883176
Energy: 491.34915363396544
Energy: 489.4301257383597
Energy: 489.07095647731967
Energy: 489.4301257383594
Energy: 489.07095647731916
Energy: 489.4301257383589
Energy: 489.07095647731916
Energy: 485.0068444552177
Energy: 489.28792744316047
Energy: 485.006844455218
Energy: 489.2879274431622
Energy: 485.0068444552177
Energy: 489.2879274431608
Energy: 488.18384078944655
Energy: 489.6717717358133
Energy: 488.18384078944655
Energy: 489.67177173581285
Energy: 488.1838407894461
Energy: 489.67177173581285
Energy: 489.0671534969445
Energy: 489.5095714843035
Energy: 489.0671534969445
Energy: 489.50957148430433
Energy: 489.06715349694406
Energy: 489.5095714843047
Energy: 489.16780081723635
Energy: 488.07130891978517
Energy: 489.1678008172359
Energy: 488.07130891978517
Energy: 489.1678008172359
Energy: 488.07130891978426
Energy: 488.9026649932321
Energy: 487.127166834393
Energy: 488.9026649932316
Energy: 487.12716683439174
Energy: 488.9026649932321
Energy: 487.127166834393
Energy: 488.8257039072277
Energy: 489.0040401914149
Energy: 488.8257031320221
Energy: 489.00404019141456
Energy: 488.82570390722725
Energy: 489.0040401914153
Energy: 492.9118618303027
Energy: 488.3328661274817
Energy: 492.9268372584412
Energy: 488.33286612748236
Energy: 492.9118618303031
Energy: 488.332866127482
Energy: 489.66136211152065
Energy: 488.0519154794669
Energy: 489.66136211152065
Energy: 488.0519154794661
Energy: 489.66136211152065
Energy: 488.0519154794669
Energy: 496.9758515806141
Energy: 486.25244383195593
Energy: 496.9778273145955
Energy: 486.25244383195593
Energy: 496.9758515806141
Energy: 486.25244383195593
Energy: 487.43653900260387
Energy: 488.945102653767
Energy: 487.43653900260387
Energy: 488.9451026537665
Energy: 487.4365390026034
Energy: 488.9451026537665
Energy: 488.4694217243836
Energy: 488.9735808805393
Energy: 488.0388819817472
Energy: 488.97358088053977
Energy: 488.4694217243836
Energy: 488.97358088053977
Energy: 488.40092721090303
Energy: 485.0303960181549
Energy: 488.7644072197978
Energy: 485.0303960181544
Energy: 488.40092721090303
Energy: 485.0303960181566
Energy: 488.3999165686476
Energy: 486.1991901706759
Energy: 488.62957743395623
Energy: 486.1991901706754
Energy: 488.3999165686472
Energy: 486.1991901706759
Energy: 488.13310937925974
Energy: 489.39489371126604
Energy: 488.1331093792602
Energy: 489.3948937112656
Energy: 488.13310937925974
Energy: 489.3948937112656
Energy: 486.17595680077704
Energy: 489.3008119131086
Energy: 486.17595680077665
Energy: 489.3008119131086
Energy: 486.17595680077665
Energy: 489.30081191310904
Energy: 497.12454119965474
Energy: 488.15750993818256
Energy: 497.12454119965474
Energy: 488.15750993818256
Energy: 497.12454119965474
Energy: 488.15750993818256
Energy: 489.44016667280073
Energy: 488.03191293132187
Energy: 489.44016667280147
Energy: 488.0319129313209
Energy: 489.44016667280107
Energy: 488.0319129313209
Energy: 491.51086064368377
Energy: 489.165385801464
Energy: 491.5108606436833
Energy: 489.1653858014637
Energy: 491.5108606436833
Energy: 489.1653858014637
Energy: 489.07804916603334
Energy: 488.9991488289991
Energy: 489.07804916603243
Energy: 488.9991488289991
Energy: 489.07804916603334
Energy: 488.9991488289991
Energy: 489.2935053030356
Energy: 484.9633851667093
Energy: 489.29350530303515
Energy: 484.96338516670977
Energy: 489.2935053030356
Energy: 484.9633851667093
Energy: 489.3241135008035
Energy: 488.15177331982164
Energy: 489.3241135008039
Energy: 488.1517733198229
Energy: 489.3241135008035
Energy: 488.1517733198229
Energy: 489.3413317229544
Energy: 489.09986145030314
Energy: 489.34133172295486
Energy: 489.0998614503019
Energy: 489.34133172295395
Energy: 489.0998614503013
Energy: 488.7779098789868
Energy: 488.9726387308516
Energy: 488.7779097855054
Energy: 488.9726387308512
Energy: 488.77790987898646
Energy: 488.9726387308508
Energy: 487.4191997518036
Energy: 488.9220724596147
Energy: 487.41919975180315
Energy: 488.92207245961555
Energy: 487.41919975180315
Energy: 488.9220724596151
Energy: 489.4230466977792
Energy: 489.1943301494652
Energy: 489.4230466977792
Energy: 489.1943301494652
Energy: 489.4230466977797
Energy: 489.19433014946463
Energy: 488.35431499016875
Energy: 493.34335050367736
Energy: 488.35431499017005
Energy: 493.34335050367736
Energy: 488.3543149901692
Energy: 493.34335050367696
Energy: 488.0402669565873
Energy: 489.6483505755834
Energy: 488.0402669565867
Energy: 489.6483505755829
Energy: 488.0402669565867
Energy: 489.6483505755834

minimum gb energy = 482.95989781707914 eV
minimum distance =  2.35831562224828 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 416.78481687320857
Energy: 420.9068902842728
Energy: 416.78481687320857
Energy: 420.9068902842728
Energy: 416.78481687320857
Energy: 420.9068902842728
Energy: 420.5471158673145
Energy: 425.52207046557174
Energy: 420.5471158673145
Energy: 425.52207046557174
Energy: 420.5471158673145
Energy: 425.52207046557174
Energy: 424.29284983139405
Energy: 420.9491861161954
Energy: 424.29284983139405
Energy: 420.9491861161954
Energy: 424.29284983139405
Energy: 420.9491861161954
Energy: 424.3468610184651
Energy: 424.30287966563395
Energy: 424.3468610184651
Energy: 424.30287966563395
Energy: 424.3468610184651
Energy: 424.30287966563293
Energy: 420.4541133032704
Energy: 420.6265499838252
Energy: 420.4541133032704
Energy: 420.6265499838263
Energy: 420.4541133032704
Energy: 420.6265499838263
Energy: 420.39941462382325
Energy: 420.5525868629124
Energy: 420.39941462382325
Energy: 420.55258686291336
Energy: 420.39941462382217
Energy: 420.55258686291336
Energy: 422.3824362228484
Energy: 420.5783933162692
Energy: 422.3824362228472
Energy: 420.5783933162683
Energy: 422.3824362228484
Energy: 420.5783933162683
Energy: 424.17597038176126
Energy: 421.18845527050365
Energy: 424.17597038176035
Energy: 421.18845527050365
Energy: 424.17597038176126
Energy: 421.18845527050365
Energy: 422.73964140452193
Energy: 424.38971617708245
Energy: 422.73964140452193
Energy: 424.38971617708245
Energy: 422.73964140452193
Energy: 424.38971617708245
Energy: 420.3723246777388
Energy: 418.93584531581234
Energy: 420.3723246777378
Energy: 418.93584531581234
Energy: 420.3723246777378
Energy: 418.93584531581234
Energy: 418.7621201445616
Energy: 425.9523919382307
Energy: 418.76212014456064
Energy: 425.9523919382307
Energy: 418.7621201445616
Energy: 425.9523919382307
Energy: 416.81140257434737
Energy: 420.7030898403255
Energy: 416.81140257434737
Energy: 420.7030898403255
Energy: 416.81140257434737
Energy: 420.7030898403264
Energy: 420.460708217149
Energy: 424.0368016902587
Energy: 420.460708217149
Energy: 424.0368016902587
Energy: 420.460708217149
Energy: 424.0368016902587
Energy: 424.3358876770242
Energy: 420.75827230820585
Energy: 424.3358876770232
Energy: 420.75827230820585
Energy: 424.3358876770232
Energy: 420.75827230820585
Energy: 424.37132048638836
Energy: 420.55527681190307
Energy: 424.3713204863873
Energy: 420.55527681190307
Energy: 424.37132048638836
Energy: 420.555276811902
Energy: 420.64070003418664
Energy: 420.5726090743746
Energy: 420.64070003418664
Energy: 420.5726090743746
Energy: 420.6407000341878
Energy: 420.5726090743746
Energy: 420.4671703042874
Energy: 419.07012632790446
Energy: 420.4671703042874
Energy: 419.07012632790355
Energy: 420.4671703042865
Energy: 419.07012632790355
Energy: 424.79531501081044
Energy: 420.5908383908558
Energy: 424.79531501081044
Energy: 420.5908383908547
Energy: 424.79531501081044
Energy: 420.5908383908558

minimum gb energy = 416.78481687320857 eV
minimum distance =  2.31396351205088 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 351.9472380248163
Energy: 363.63049540336
Energy: 351.9472380248163
Energy: 363.63049540336056
Energy: 351.94723802481565
Energy: 363.63049540336
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 357.37144864214747
Energy: 352.28795569434806
Energy: 357.37144864214747
Energy: 352.28795569434806
Energy: 360.8459256508738
Energy: 352.4790248108806
Energy: 360.8459256508738
Energy: 352.4790248108806
Energy: 360.84592565087326
Energy: 352.4790248108806
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 357.3915617904542
Energy: 352.0035086895088
Energy: 357.3915617904542
Energy: 352.00350868950056
Energy: 357.3915617904542
Energy: 352.0035086895136
Energy: 357.3711335181364
Energy: 351.9878316481018
Energy: 357.3711335181364
Energy: 351.9878316481018
Energy: 357.3711335181364
Energy: 351.9878316481011
Energy: 352.432208511091
Energy: 360.86721900657534
Energy: 352.432208511091
Energy: 360.867219006576
Energy: 352.432208511091
Energy: 360.867219006576
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 360.8767158084357
Energy: 352.4808380585731
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 351.94723802481565
Energy: 363.63049540336056
Energy: 351.94723802481565
Energy: 363.63049540336
Energy: 351.9472380248163
Energy: 363.63049540336
Energy: 357.3714486421481
Energy: 352.28795569434806
Energy: 357.3714486421481
Energy: 352.28795569434806
Energy: 357.3714486421481
Energy: 352.28795569434754
Energy: 360.84592565087326
Energy: 352.4790248108806
Energy: 360.8459256508738
Energy: 352.4790248108806
Energy: 360.84592565087326
Energy: 352.47902481088005
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 357.3915617904542
Energy: 352.0035086895088
Energy: 357.3915617904542
Energy: 352.0035086895142
Energy: 357.3915617904542
Energy: 352.0035086895088
Energy: 357.37113351813696
Energy: 351.9878316481018
Energy: 357.37113351813696
Energy: 351.9878316481018
Energy: 357.37113351813696
Energy: 351.9878316481023
Energy: 352.432208511091
Energy: 360.867219006576
Energy: 352.432208511091
Energy: 360.867219006576
Energy: 352.432208511091
Energy: 360.867219006576
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 351.9472380248163
Energy: 363.63049540336
Energy: 351.9472380248163
Energy: 363.63049540336
Energy: 351.9472380248163
Energy: 363.63049540336
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 360.84592565087326
Energy: 352.4790248108806
Energy: 360.8459256508738
Energy: 352.4790248108806
Energy: 360.8459256508738
Energy: 352.4790248108806
Energy: 352.39281893568705
Energy: 360.7933085268791
Energy: 352.3928189356864
Energy: 360.7933085268791
Energy: 352.39281893568705
Energy: 360.7933085268791
Energy: 357.3915617904542
Energy: 352.00350868950125
Energy: 357.3915617904542
Energy: 352.0035086895071
Energy: 357.3915617904542
Energy: 352.0035086895083
Energy: 357.37113351813696
Energy: 351.9878316481023
Energy: 357.37113351813696
Energy: 351.9878316481023
Energy: 357.37113351813696
Energy: 351.9878316481011
Energy: 352.4322085110915
Energy: 360.867219006576
Energy: 352.432208511091
Energy: 360.867219006576
Energy: 352.4322085110915
Energy: 360.867219006576
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 360.8767158084362
Energy: 352.4808380585731
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 357.39387156131244
Energy: 352.29210590344223
Energy: 351.94723802481684
Energy: 363.63049540336056
Energy: 351.9472380248163
Energy: 363.63049540336
Energy: 351.9472380248163
Energy: 363.63049540336056
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 357.37144864214747
Energy: 352.28795569434754
Energy: 360.84592565087263
Energy: 352.4790248108806
Energy: 360.84592565087263
Energy: 352.4790248108806
Energy: 360.84592565087326
Energy: 352.4790248108806

minimum gb energy = 351.94723802481565 eV
minimum distance =  2.3341544938316 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 430.9259841792638
Energy: 436.25727506468985
Energy: 430.9259841792638
Energy: 436.25727506468985
Energy: 430.92598417926524
Energy: 436.25727506468985
Energy: 434.07404231339905
Energy: 436.69871053160824
Energy: 434.07404231339905
Energy: 436.69871053160824
Energy: 434.07404231339905
Energy: 436.69871053160824
Energy: 441.81137844247223
Energy: 428.47801720561057
Energy: 441.81137844247223
Energy: 428.47801720561057
Energy: 441.81137844247223
Energy: 428.47801720561057
Energy: 436.53379210750165
Energy: 436.32705117379254
Energy: 436.5337921075032
Energy: 436.3270511737911
Energy: 436.5337921075032
Energy: 436.3270511737911
Energy: 436.6176162385812
Energy: 437.132692487087
Energy: 436.6176162385812
Energy: 437.132692487087
Energy: 436.6176162385812
Energy: 437.132692487087
Energy: 436.5811949797969
Energy: 431.6872706755077
Energy: 436.5811949797969
Energy: 431.6872706755063
Energy: 436.5811949797969
Energy: 431.6872706755077
Energy: 439.1133572386326
Energy: 436.29588551555173
Energy: 439.1133572386326
Energy: 436.2958855155503
Energy: 436.89809351860515
Energy: 436.29588551555173
Energy: 430.77800218939024
Energy: 436.76955666243356
Energy: 430.77800218939166
Energy: 436.7695566624351
Energy: 430.77800218939166
Energy: 436.7695566624351
Energy: 434.17330488243834
Energy: 440.8003314199006
Energy: 434.17330488243834
Energy: 440.8003314199006
Energy: 434.17330488243834
Energy: 440.8003314199006
Energy: 436.67539634355273
Energy: 434.0944358252776
Energy: 436.6753963435513
Energy: 434.0944358252776
Energy: 436.67539634355273
Energy: 434.0944358252776
Energy: 440.07372545196074
Energy: 436.17161938037634
Energy: 440.07372545196216
Energy: 436.17161938037634
Energy: 440.07372545196074
Energy: 436.17161938037634
Energy: 436.56213434680683
Energy: 434.2883603170973
Energy: 436.56213434680683
Energy: 434.2883603170973
Energy: 436.56213434680683
Energy: 434.2883603170973

minimum gb energy = 428.47801720561057 eV
minimum distance =  2.30422686627638 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 514.8494269793338
Energy: 518.7317045833046
Energy: 514.8494269793342
Energy: 518.7317045833046
Energy: 514.8494269793342
Energy: 518.7317045833046
Energy: 514.0642520781387
Energy: 519.6381908682558
Energy: 514.0642520781387
Energy: 519.6381908682558
Energy: 514.0642520781387
Energy: 519.6381908682558
Energy: 519.4088807422049
Energy: 513.4868167689261
Energy: 519.4088807422038
Energy: 513.4868167689257
Energy: 519.4088807422049
Energy: 513.4868167689257
Energy: 518.620048600038
Energy: 514.8360901845822
Energy: 518.620048600038
Energy: 514.8360901845818
Energy: 518.620048600038
Energy: 514.8360901845822
Energy: 520.8691046898415
Energy: 518.8236846401146
Energy: 520.8691046898431
Energy: 518.8236846401146
Energy: 520.8691046898415
Energy: 518.8236846401146
Energy: 514.8537649828011
Energy: 517.1898138939232
Energy: 514.8537649828003
Energy: 516.2343035423154
Energy: 514.8537649828003
Energy: 516.2343035423154
Energy: 516.717182895653
Energy: 518.2963628326942
Energy: 516.7171828956538
Energy: 518.2963628326942
Energy: 516.7171828956525
Energy: 518.2963628326945
Energy: 518.6908141148695
Energy: 518.5284649687203
Energy: 518.6908141148698
Energy: 518.52846496872
Energy: 518.6908141148695
Energy: 518.52846496872
Energy: 516.4653463084304
Energy: 517.8838684024266
Energy: 516.4653463084334
Energy: 517.883868402427
Energy: 516.4653463084309
Energy: 517.8838684024266
Energy: 521.024991785851
Energy: 515.6130948710808
Energy: 521.0249917858505
Energy: 515.6130948710808
Energy: 521.02499178585
Energy: 515.6130948710808
Energy: 518.6035172479875
Energy: 514.7633265623717
Energy: 518.6035172479872
Energy: 514.7633265623705
Energy: 518.6035172479875
Energy: 514.7633265623714
Energy: 521.5299176164518
Energy: 519.0923781028624
Energy: 521.5299176164523
Energy: 519.0923781028624
Energy: 521.5299176164514
Energy: 519.0923781028624
Energy: 513.5067196975263
Energy: 519.5676625787338
Energy: 513.5067196975258
Energy: 519.5676625787338
Energy: 513.5067196975266
Energy: 519.567662578733
Energy: 514.8747282795531
Energy: 516.8357047894347
Energy: 514.8747282795507
Energy: 516.8357047894351
Energy: 514.874728279551
Energy: 516.8357047894347
Energy: 517.9692820343961
Energy: 518.7766129883103
Energy: 517.969282034397
Energy: 518.7766129883103
Energy: 517.9692820343975
Energy: 518.7766129883103
Energy: 517.813149548185
Energy: 517.2691697644038
Energy: 517.8131495481842
Energy: 517.2691697644045
Energy: 517.8131495481855
Energy: 517.2691697644038
Energy: 519.6732399321331
Energy: 514.9525579436073
Energy: 519.6732399321336
Energy: 514.9525579436059
Energy: 519.6732399321331
Energy: 514.9525579436073
Energy: 518.5906172955292
Energy: 518.4927977106689
Energy: 518.5906172955292
Energy: 518.4927977106685
Energy: 518.5906172955289
Energy: 518.4927977106685
Energy: 518.5052699396134
Energy: 518.6637837826034
Energy: 518.5052699396134
Energy: 518.6637837826031
Energy: 518.5052699396134
Energy: 518.6637837826031
Energy: 515.6963925759844
Energy: 528.9879560820557
Energy: 515.6963925759844
Energy: 528.3390221149054
Energy: 515.6963925759844
Energy: 528.3390221149054
Energy: 518.619497849002
Energy: 518.680054046139
Energy: 518.6194978490015
Energy: 518.6800540461395
Energy: 518.6194978490015
Energy: 518.680054046139
Energy: 518.5899796015174
Energy: 518.3065924750505
Energy: 518.5899796015169
Energy: 518.3065924750509
Energy: 518.5899796015174
Energy: 518.3065924750514
Energy: 519.8571518261123
Energy: 515.106203611108
Energy: 519.8571518261123
Energy: 515.1062036111083
Energy: 519.8571518261119
Energy: 515.1062036111086
Energy: 517.790002256785
Energy: 518.5152337148004
Energy: 517.790002256785
Energy: 518.5152337148004
Energy: 517.7900022567859
Energy: 518.5152337148004
Energy: 517.9722331434356
Energy: 518.7520822829007
Energy: 517.9722331434356
Energy: 518.7520822829011
Energy: 517.9722331434352
Energy: 518.7520822829011
Energy: 515.258314387162
Energy: 518.051629225691
Energy: 515.2583143871628
Energy: 518.0516292256923
Energy: 515.2583143871628
Energy: 518.0516292256927
Energy: 514.02314903171
Energy: 519.5564176509944
Energy: 514.02314903171
Energy: 519.556417650994
Energy: 514.0231490317095
Energy: 519.5564176509944
Energy: 521.259642497583
Energy: 520.3047657791113
Energy: 521.259642497583
Energy: 520.3047657791113
Energy: 521.2596424975833
Energy: 520.3047657791113
Energy: 518.5941391012361
Energy: 514.8570564149727
Energy: 518.5941391012361
Energy: 514.857056414973
Energy: 518.5941391012361
Energy: 514.8570564149724
Energy: 521.2712331615617
Energy: 516.9237514309353
Energy: 521.2712331615613
Energy: 516.9237514309349
Energy: 521.2712331615609
Energy: 516.9237514309345
Energy: 516.8363711626998
Energy: 517.6539849083399
Energy: 516.8363711627003
Energy: 517.6539849083396
Energy: 516.8363711627006
Energy: 517.6539849083396
Energy: 518.3815823143681
Energy: 518.1499783497445
Energy: 518.3815823143677
Energy: 518.1499783497445
Energy: 518.3815823143677
Energy: 518.1499783497445
Energy: 516.6681761140649
Energy: 518.1597865025473
Energy: 516.6681761140644
Energy: 518.1597865025473
Energy: 516.6681761140653
Energy: 518.1597865025469
Energy: 515.2198809733933
Energy: 517.7430964288878
Energy: 515.2198809733942
Energy: 517.743096428887
Energy: 515.2198809733942
Energy: 517.7430964288875
Energy: 520.7525248362995
Energy: 518.837194388888
Energy: 520.7525248362995
Energy: 518.8371943888884
Energy: 520.7525248362988
Energy: 518.8371943888884
Energy: 518.621896726879
Energy: 515.3462335141068
Energy: 518.621896726879
Energy: 515.3462335141083
Energy: 518.6218967268798
Energy: 515.346233514108
Energy: 519.6952205742107
Energy: 513.8730562900798
Energy: 519.6952205742107
Energy: 513.8730562900798
Energy: 519.6952205742102
Energy: 513.8730562900798
Energy: 513.3068114453646
Energy: 520.795260978848
Energy: 513.3068114453674
Energy: 520.7952609788472
Energy: 513.306811445365
Energy: 520.795260978849
Energy: 514.8494269793334
Energy: 518.7317045833054
Energy: 514.8494269793334
Energy: 518.7317045833054
Energy: 514.8494269793334
Energy: 518.7317045833054
Energy: 514.0642520781374
Energy: 519.638190868255
Energy: 514.0642520781374
Energy: 519.6381908682546
Energy: 514.0642520781374
Energy: 519.6381908682555
Energy: 519.4088807422046
Energy: 513.4868167689253
Energy: 519.4088807422046
Energy: 513.4868167689253
Energy: 519.4088807422046
Energy: 513.4868167689245
Energy: 518.6200486000375
Energy: 514.8360901845822
Energy: 518.6200486000375
Energy: 514.8360901845818
Energy: 518.6200486000375
Energy: 514.8360901845825
Energy: 520.8691046898426
Energy: 518.8236846401143
Energy: 520.8691046898435
Energy: 518.8236846401143
Energy: 520.8691046898423
Energy: 518.8236846401143

minimum gb energy = 513.3068114453646 eV
minimum distance =  2.34350131648245 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 461.5489247708029
Energy: 461.70792461555686
Energy: 461.5489247708037
Energy: 461.70792462643186
Energy: 461.5489247708029
Energy: 461.707924612174
Energy: 446.14503493599085
Energy: 460.92924187826225
Energy: 446.14503493599
Energy: 460.9292418782631
Energy: 446.14503493599085
Energy: 460.92924187826225
Energy: 453.7879890360972
Energy: 453.76465833170096
Energy: 453.7879890360953
Energy: 453.76465833170096
Energy: 453.78798903609623
Energy: 453.76465833170096
Energy: 461.85830630715407
Energy: 461.84303617534454
Energy: 461.85830630715407
Energy: 461.84303617534454
Energy: 461.85830630715407
Energy: 461.84303617534454
Energy: 446.1490442570343
Energy: 446.03929199120745
Energy: 446.1490442570343
Energy: 446.03929199120745
Energy: 446.1490442570343
Energy: 446.03929199120745
Energy: 462.1875059467126
Energy: 454.2754757170604
Energy: 462.1875059467126
Energy: 454.2754757170604
Energy: 462.1875059467126
Energy: 454.2754757170604
Energy: 462.18329966281436
Energy: 454.2622513900002
Energy: 462.18329966281436
Energy: 454.2622513900002
Energy: 462.18329966281436
Energy: 454.2622513900002
Energy: 446.1469835881891
Energy: 446.04332729869174
Energy: 446.1469835881891
Energy: 446.04332729869077
Energy: 446.14698358818805
Energy: 446.04332729869174
Energy: 461.84808828293615
Energy: 461.8958127171427
Energy: 461.84808828293615
Energy: 461.8958127171427
Energy: 461.84808828293615
Energy: 461.8958127171427
Energy: 454.01666576682874
Energy: 453.76532858846343
Energy: 454.01666576682874
Energy: 453.76532858846343
Energy: 454.01666576682874
Energy: 453.76532858846343
Energy: 446.1418155134886
Energy: 464.34987736143427
Energy: 446.1418155134886
Energy: 464.34987736143427
Energy: 446.14181551348764
Energy: 464.34987736143427
Energy: 461.5489247708029
Energy: 461.70792465718273
Energy: 461.5489247708029
Energy: 461.7079246155495
Energy: 461.5489247708037
Energy: 461.7079246195637
Energy: 446.14503493599
Energy: 460.92924187826225
Energy: 446.14503493599085
Energy: 460.92924187826225
Energy: 446.14503493599085
Energy: 460.92924187826225
Energy: 453.78798903609623
Energy: 453.76465833170096
Energy: 453.78798903609623
Energy: 453.76465833170096
Energy: 453.78798903610084
Energy: 453.76465833170096
Energy: 461.85830630715503
Energy: 461.84303617534454
Energy: 461.85830630715503
Energy: 461.84303617534454
Energy: 461.85830630715503
Energy: 461.84303617534454
Energy: 446.1490442570343
Energy: 446.03929199120745
Energy: 446.1490442570343
Energy: 446.03929199120745
Energy: 446.1490442570343
Energy: 446.03929199120745
Energy: 462.1875059467126
Energy: 454.2754757170604
Energy: 462.1875059467126
Energy: 454.2754757170604
Energy: 462.1875059467126
Energy: 454.2754757170604
Energy: 462.18329966281436
Energy: 454.2622513900002
Energy: 462.18329966281436
Energy: 454.2622513900002
Energy: 462.1832996628135
Energy: 454.2622513900002
Energy: 446.1469835881891
Energy: 446.04332729869077
Energy: 446.1469835881891
Energy: 446.04332729869077
Energy: 446.1469835881891
Energy: 446.04332729869077

minimum gb energy = 446.03929199120745 eV
minimum distance =  2.46921685860663 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 619.2354762613961
Energy: 620.8682986955491
Energy: 619.2354762613961
Energy: 620.8682986955505
Energy: 619.2354762613961
Energy: 620.8682986955498
Energy: 619.7539340760885
Energy: 626.5249879822022
Energy: 619.753934076088
Energy: 626.5249879822022
Energy: 619.753934076088
Energy: 626.524987982203
Energy: 627.5044961632079
Energy: 617.2763784502308
Energy: 627.5044961632079
Energy: 617.2763784502308
Energy: 627.5044961632079
Energy: 617.2763784502308
Energy: 621.5822273141088
Energy: 621.0930568086762
Energy: 621.5822273141088
Energy: 621.0930568086762
Energy: 621.5822273141093
Energy: 621.0930568086762
Energy: 623.6136767554972
Energy: 625.1351564130468
Energy: 623.6136767554959
Energy: 625.1351564130381
Energy: 623.6136767554965
Energy: 625.1351564130347
Energy: 619.2860619627528
Energy: 626.5397372017669
Energy: 619.2860619627536
Energy: 626.5397372017662
Energy: 619.2860619627528
Energy: 626.5397372017657
Energy: 623.165652506013
Energy: 619.938109599224
Energy: 623.165652506013
Energy: 619.9381095992226
Energy: 623.165652506013
Energy: 619.9381095992233
Energy: 623.9472774117248
Energy: 624.698957626876
Energy: 623.9472774117248
Energy: 624.698957626876
Energy: 623.947277411724
Energy: 624.698957626876
Energy: 624.4480637437034
Energy: 624.6891569517219
Energy: 624.4480637437115
Energy: 624.6891569517219
Energy: 624.448063743706
Energy: 624.6891569517219
Energy: 620.8194504203267
Energy: 621.3101018734695
Energy: 620.8194504203259
Energy: 621.3101018734701
Energy: 620.8194504203279
Energy: 621.3101018734701
Energy: 621.7305060263913
Energy: 625.3210739316254
Energy: 621.7305060263913
Energy: 625.3210739316247
Energy: 621.7305060263913
Energy: 625.3210739316247
Energy: 623.6078877162145
Energy: 624.6822171499948
Energy: 623.6078877162145
Energy: 624.6822171499936
Energy: 623.6078877162138
Energy: 624.6822171499948
Energy: 624.265017734274
Energy: 621.7524384791701
Energy: 624.265017734274
Energy: 621.7524384791172
Energy: 624.265017734274
Energy: 621.7524384790962
Energy: 626.4668076891111
Energy: 620.3224812288668
Energy: 626.4668076891111
Energy: 620.3224812288661
Energy: 626.4668076891111
Energy: 620.3224812288661
Energy: 621.4270010895818
Energy: 626.4879978701363
Energy: 621.4270010895825
Energy: 626.4879978701363
Energy: 621.4270010895818
Energy: 626.4879978701363
Energy: 618.2403784071405
Energy: 621.2696087246999
Energy: 618.2403784071413
Energy: 621.2696087246992
Energy: 618.2403784071452
Energy: 621.2696087246992
Energy: 623.179025147668
Energy: 626.4532831850851
Energy: 623.179025147668
Energy: 626.4532831850838
Energy: 623.179025147668
Energy: 626.4532831850844
Energy: 625.6262718052208
Energy: 618.7320421912227
Energy: 625.6262718052208
Energy: 618.7320421912227
Energy: 625.6262718052208
Energy: 618.7320421912235
Energy: 621.2447545600476
Energy: 621.9099996720437
Energy: 621.2447545600469
Energy: 621.909999672043
Energy: 621.2447545600469
Energy: 621.909999672043
Energy: 623.7288515264829
Energy: 622.6452187347135
Energy: 623.7288515264834
Energy: 622.6452187347129
Energy: 623.7288515264834
Energy: 622.6452187347135
Energy: 621.9218816385771
Energy: 626.6237318885444
Energy: 621.9218816385771
Energy: 626.6237318885437
Energy: 621.9218816385771
Energy: 626.623731888543
Energy: 620.9833882038647
Energy: 619.7390899830407
Energy: 620.9833882038669
Energy: 619.7390899830407
Energy: 620.9833882038647
Energy: 619.7390899830392
Energy: 623.7008190970507
Energy: 621.9997839439807
Energy: 623.7008190970507
Energy: 621.9997839439807
Energy: 623.7008190970507
Energy: 621.9997839439807
Energy: 623.839180023159
Energy: 622.4817887869813
Energy: 623.8391800231583
Energy: 622.4817887869806
Energy: 623.8391800231577
Energy: 622.4817887869806
Energy: 620.8079472754051
Energy: 621.0331234969962
Energy: 620.8079472754031
Energy: 621.0331234969962
Energy: 620.8079472754051
Energy: 621.0331234969962
Energy: 619.4455519667407
Energy: 625.3473783156123
Energy: 619.4455519667407
Energy: 625.347378315613
Energy: 619.4455519667407
Energy: 625.3473783156123

minimum gb energy = 617.2763784502308 eV
minimum distance =  2.32201006422356 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 390.2434981051023
Energy: 390.4664532720512
Energy: 390.2434981051023
Energy: 390.46645327205067
Energy: 390.2434981051023
Energy: 390.46645327205283
Energy: 391.1882376311838
Energy: 394.9149498723559
Energy: 391.1882376311844
Energy: 394.9149498723559
Energy: 391.1882376311838
Energy: 394.9149498723559
Energy: 397.5914731380722
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Energy: 397.5914731380722
Energy: 391.1450225260594
Energy: 397.5914731380722
Energy: 391.14502252605996
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Energy: 390.2938244328432
Energy: 390.6245261695278
Energy: 390.2938244328432
Energy: 390.6245261695278
Energy: 390.29382443284214
Energy: 394.67074488066777
Energy: 390.31000103346554
Energy: 394.6707448806667
Energy: 390.31000103346554
Energy: 394.6707448806667
Energy: 390.310001033465
Energy: 391.2156932475608
Energy: 394.9973016327288
Energy: 391.2156932475614
Energy: 394.9973016327288
Energy: 391.2156932475608
Energy: 394.9973016327283
Energy: 392.74044908880705
Energy: 390.7828488005028
Energy: 392.74044908880705
Energy: 390.78284880050336
Energy: 392.740449088806
Energy: 390.7828488005028
Energy: 395.41385839700274
Energy: 391.7724936350725
Energy: 395.41385839700854
Energy: 391.77249363506934
Energy: 395.41385839700274
Energy: 391.77249363505337
Energy: 394.8495400793812
Energy: 390.32089176549516
Energy: 394.8495400793812
Energy: 390.32089176549516
Energy: 394.8495400793812
Energy: 390.3208917654947
Energy: 391.85771026794214
Energy: 393.0717249011366
Energy: 391.85771026794265
Energy: 393.0717249011366
Energy: 391.8577102679432
Energy: 393.07172490113607
Energy: 390.6519764914889
Energy: 393.0261165196268
Energy: 390.65197649148826
Energy: 393.02611651962627
Energy: 390.6519764914889
Energy: 393.02611651962627
Energy: 394.815828409565
Energy: 393.4007722902361
Energy: 394.815828409565
Energy: 393.4007722902366
Energy: 394.81582840956554
Energy: 393.4007722902366
Energy: 394.68107667043245
Energy: 390.271834805494
Energy: 394.68107667043245
Energy: 390.271834805494
Energy: 394.68107667043245
Energy: 390.27183480549456
Energy: 394.63900034828214
Energy: 391.290334262125
Energy: 394.6390003482832
Energy: 391.290334262125
Energy: 394.63900034828265
Energy: 391.290334262125
Energy: 391.3377158786779
Energy: 395.1876708078447
Energy: 391.3377158786774
Energy: 395.1876708078447
Energy: 391.3377158786779
Energy: 395.1876708078447
Energy: 394.6160580789853
Energy: 393.3866042999732
Energy: 394.6160580789853
Energy: 393.3866042999732
Energy: 394.6160580789853
Energy: 393.3866042999732
Energy: 395.4168197043846
Energy: 390.26749344695344
Energy: 395.4168197043846
Energy: 390.26749344695287
Energy: 395.4168197043846
Energy: 390.26749344695287
Energy: 399.6332606886819
Energy: 391.1914688647217
Energy: 399.6332606886819
Energy: 391.1914688647217
Energy: 399.6332606886819
Energy: 391.19146886472225
Energy: 391.4753734675417
Energy: 394.91480451809457
Energy: 391.47537346754115
Energy: 394.91480451809457
Energy: 391.4753734675417
Energy: 394.9148045180951
Energy: 391.217187516522
Energy: 393.2182090335411
Energy: 391.217187516522
Energy: 393.2182090335411
Energy: 391.2171875165226
Energy: 393.2182090335411
Energy: 395.9272593169165
Energy: 395.182475284639
Energy: 395.9272593169165
Energy: 395.18247528463854
Energy: 395.927259316917
Energy: 395.182475284639
Energy: 397.9898943943521
Energy: 391.2783226028304
Energy: 397.9898943943521
Energy: 391.2783226028304
Energy: 397.98989439435155
Energy: 391.2783226028304
Energy: 391.0055585939272
Energy: 390.71208222375054
Energy: 391.00555859392676
Energy: 390.71208222375054
Energy: 391.0055585939272
Energy: 390.71208222375054
Energy: 394.906789066151
Energy: 393.1739345645496
Energy: 394.90678906615057
Energy: 393.1739345645496
Energy: 394.906789066151
Energy: 393.17393456455017
Energy: 396.0020604173166
Energy: 395.11682989974094
Energy: 396.0020604173166
Energy: 395.11682989974094
Energy: 396.0020604173166
Energy: 395.1168298997415
Energy: 393.04980467225874
Energy: 393.0567796589226
Energy: 393.04980467225823
Energy: 393.0567796589226
Energy: 393.04980467225823
Energy: 393.0567796589226
Energy: 395.1998511796554
Energy: 390.3622438165874
Energy: 395.1998511796554
Energy: 390.3622438165874
Energy: 395.1998511796565
Energy: 390.3622438165879
Energy: 394.96008029728716
Energy: 393.05388606115446
Energy: 394.9600802972877
Energy: 393.05388606115497
Energy: 394.96008029728716
Energy: 393.05388606115497
Energy: 391.31297303077775
Energy: 395.4975872241904
Energy: 391.31297303077775
Energy: 395.4975872241904
Energy: 391.3129730307783
Energy: 395.4975872241904
Energy: 389.06256933054783
Energy: 395.22480762493666
Energy: 389.06256933054783
Energy: 395.2248076249361
Energy: 389.06256933054783
Energy: 395.2248076249361
Energy: 394.73833649432413
Energy: 393.65300075356174
Energy: 394.73833649432464
Energy: 393.65300075356174
Energy: 394.73833649432413
Energy: 393.65300075356174
Energy: 395.90875422804197
Energy: 390.16401180567163
Energy: 395.90875422804197
Energy: 390.16401180567163
Energy: 395.90875422804197
Energy: 390.16401180567163
Energy: 394.6975106547438
Energy: 393.4786772006228
Energy: 394.69751065474327
Energy: 393.4786772006228
Energy: 394.69751065474327
Energy: 393.4786772006228

minimum gb energy = 389.06256933054783 eV
minimum distance =  2.33279667626492 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 556.6232550295284
Energy: 562.3443746475717
Energy: 556.623255029528
Energy: 562.3443746475714
Energy: 556.623255029528
Energy: 562.3443746475725
Energy: 556.605482349249
Energy: 568.4146518127828
Energy: 556.6054823492478
Energy: 568.4146518127824
Energy: 556.6054823492498
Energy: 568.414651812782
Energy: 567.6020437637756
Energy: 558.0839244532898
Energy: 567.6020437637764
Energy: 558.0839244532898
Energy: 567.6020437637759
Energy: 558.0839244532898
Energy: 563.0251042953416
Energy: 564.029303966411
Energy: 563.0251042953416
Energy: 564.0293039661818
Energy: 563.0251042953413
Energy: 564.0293039661361
Energy: 562.5225526394184
Energy: 562.7368643086695
Energy: 562.5225526394175
Energy: 562.7368643086699
Energy: 562.5225526394175
Energy: 562.7368643086695
Energy: 563.6736099272368
Energy: 563.462730590765
Energy: 563.6736099272368
Energy: 563.4627305907658
Energy: 563.6736099272364
Energy: 563.462730590765
Energy: 565.9544632650343
Energy: 560.0725330214032
Energy: 565.954463265034
Energy: 560.0725330214068
Energy: 565.9544632650343
Energy: 560.0725330214046
Energy: 559.3132734511805
Energy: 562.5529218489559
Energy: 559.313273451181
Energy: 562.5529218489559
Energy: 559.3132734511801
Energy: 562.5529218489565
Energy: 562.7313356665965
Energy: 562.5786879931826
Energy: 562.7313356665965
Energy: 562.5786879931818
Energy: 562.7313356665968
Energy: 562.5786879931818
Energy: 557.7406500869465
Energy: 569.0749887674839
Energy: 557.7406500869469
Energy: 569.0749887674843
Energy: 557.7406500869469
Energy: 569.0749887674843
Energy: 559.4099593708644
Energy: 560.4112849788645
Energy: 559.4099593708655
Energy: 560.4112849788645
Energy: 559.4099593708652
Energy: 560.4112849788645
Energy: 563.4049036627212
Energy: 563.4693760101678
Energy: 563.4049036627212
Energy: 563.4693760101682
Energy: 563.4049036627212
Energy: 563.4693760101682
Energy: 562.5710727563712
Energy: 562.7367885875079
Energy: 562.5710727563712
Energy: 562.7367885875079
Energy: 562.5710727563712
Energy: 562.7367885875083
Energy: 562.6824219965135
Energy: 560.6739424125283
Energy: 562.6824219965131
Energy: 560.6739424125283
Energy: 562.6824219965139
Energy: 560.6739424125283
Energy: 562.82741859031
Energy: 566.0425224502064
Energy: 562.8274185903092
Energy: 566.0425224502064
Energy: 562.82741859031
Energy: 566.042522450206
Energy: 562.9394233993444
Energy: 563.1679167101211
Energy: 562.9394233993479
Energy: 563.1679167101207
Energy: 562.9394233993438
Energy: 563.1679167101211
Energy: 563.1689084309211
Energy: 563.0171185724934
Energy: 563.1689084309214
Energy: 563.0171185724919
Energy: 563.1689084309206
Energy: 563.0171185724926
Energy: 563.2516260078141
Energy: 563.2954804637787
Energy: 563.2516260078138
Energy: 563.2954804637787
Energy: 563.2516260078141
Energy: 563.2954804637792
Energy: 557.0706646993062
Energy: 566.4271149741842
Energy: 557.0706646993069
Energy: 566.4271149741845
Energy: 557.0706646993069
Energy: 566.4271149741842
Energy: 563.555394328528
Energy: 563.6856667893785
Energy: 563.555394328528
Energy: 563.6856667893782
Energy: 563.555394328528
Energy: 563.6856667893782
Energy: 563.631899299572
Energy: 556.0656934051545
Energy: 563.6318992995671
Energy: 556.0656934051542
Energy: 563.6318992995716
Energy: 556.0656934051545
Energy: 568.4306569932527
Energy: 557.5196423329808
Energy: 568.4306569932527
Energy: 557.5196423329808
Energy: 568.4306569932515
Energy: 557.5196423329811
Energy: 563.1536501051426
Energy: 569.981799834408
Energy: 563.1536501051448
Energy: 569.9817998344068
Energy: 563.1536501051426
Energy: 569.9817998344073
Energy: 562.9650840196861
Energy: 562.7466985083189
Energy: 562.9650840196861
Energy: 562.7466985083181
Energy: 562.9650840196865
Energy: 562.7466985083186
Energy: 563.3219247287117
Energy: 562.7630419155681
Energy: 563.3219247287113
Energy: 562.7630419155678
Energy: 563.3219247287117
Energy: 562.7630419155681
Energy: 562.6144363073512
Energy: 563.4369681658221
Energy: 562.6144363073507
Energy: 563.4369681658218
Energy: 562.6144363073512
Energy: 563.4369681658214
Energy: 557.4395019422096
Energy: 566.2730844857261
Energy: 557.4395019422101
Energy: 566.2730844857266
Energy: 557.4395019422101
Energy: 566.2730844857266
Energy: 557.8606389785218
Energy: 563.3840407357733
Energy: 557.8606389785218
Energy: 563.3840407357733
Energy: 557.8606389785218
Energy: 563.3840407357733
Energy: 563.6115758851639
Energy: 562.760735053551
Energy: 563.6115758851644
Energy: 562.760735053551
Energy: 563.6115758851639
Energy: 562.7607350535507
Energy: 568.9927822401484
Energy: 556.5426659708626
Energy: 568.9927822401484
Energy: 556.5426659708621
Energy: 568.992782240148
Energy: 556.5426659708634
Energy: 562.8727214782463
Energy: 562.8124267150374
Energy: 562.8727214782463
Energy: 562.8124267150368
Energy: 562.8727214782471
Energy: 562.812426715036
Energy: 563.6471701826345
Energy: 563.3440073259239
Energy: 563.6471701826345
Energy: 563.3440073259239
Energy: 563.6471701826345
Energy: 563.3440073259236
Energy: 563.6757594775524
Energy: 562.2538430082363
Energy: 563.6757594775524
Energy: 562.2538430082363
Energy: 563.6757594775524
Energy: 562.2538430082368
Energy: 560.1353741772245
Energy: 563.3985080831975
Energy: 560.135374177225
Energy: 563.3985080831975
Energy: 560.135374177225
Energy: 563.3985080831975
Energy: 560.0761096482536
Energy: 562.3582527511165
Energy: 560.0761096482531
Energy: 562.3582527511157
Energy: 560.0761096482531
Energy: 562.3582527511157
Energy: 563.6615739721958
Energy: 562.2283129814134
Energy: 563.6615739721956
Energy: 562.2283129814148
Energy: 563.6615739721958
Energy: 562.2283129814148
Energy: 563.6215309069762
Energy: 563.3596591429972
Energy: 563.6215309069762
Energy: 563.3596591429962
Energy: 563.6215309069762
Energy: 563.3596591429977
Energy: 562.9201288334754
Energy: 562.7266322481801
Energy: 562.9201288334749
Energy: 562.7266322481812
Energy: 562.9201288334754
Energy: 562.7266322481812
Energy: 568.9903195467788
Energy: 557.127245939748
Energy: 568.9903195467792
Energy: 557.1272459397495
Energy: 568.9903195467792
Energy: 557.1272459397491
Energy: 563.6469821733676
Energy: 562.7400660435422
Energy: 563.6469821733676
Energy: 562.7400660435425
Energy: 563.646982173368
Energy: 562.7400660435413
Energy: 557.8555195230903
Energy: 563.3816325858136
Energy: 557.8555195230899
Energy: 563.3816325858136
Energy: 557.8555195230899
Energy: 563.3816325858136
Energy: 557.445020608698
Energy: 566.012401578152
Energy: 557.4450206086983
Energy: 566.0124015781531
Energy: 557.4450206086988
Energy: 566.012401578152
Energy: 562.584928177721
Energy: 563.3336838688913
Energy: 562.5849281777206
Energy: 563.333683868891
Energy: 562.5849281777217
Energy: 563.3336838688913
Energy: 563.3266186303802
Energy: 562.7466371850996
Energy: 563.3266186303802
Energy: 562.7466371851003
Energy: 563.3266186303806
Energy: 562.7466371850996
Energy: 562.2623771379456
Energy: 562.5907613814425
Energy: 562.262377137946
Energy: 562.5907613814418
Energy: 562.2623771379464
Energy: 562.5907613814387
Energy: 563.169563783036
Energy: 570.3608393686702
Energy: 563.1695637830362
Energy: 570.3608393686695
Energy: 563.1695637830362
Energy: 570.3608393686699
Energy: 568.831652917945
Energy: 557.5684123985413
Energy: 568.8316529179453
Energy: 557.5684123985413
Energy: 568.8316529179447
Energy: 557.5684123985411

minimum gb energy = 556.0656934051542 eV
minimum distance =  2.38218130222946 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 414.7593791800269
Energy: 425.1877901395326
Energy: 414.75937918002717
Energy: 425.1877901395338
Energy: 414.7593791800269
Energy: 425.187790139533
Energy: 416.9293691464597
Energy: 427.58687112725346
Energy: 416.9293691464597
Energy: 427.5868711272537
Energy: 416.9293691464594
Energy: 427.58687112725346
Energy: 428.7627753609709
Energy: 415.447565757581
Energy: 433.5103863443402
Energy: 415.44756575758043
Energy: 428.7627753609709
Energy: 415.44756575758123
Energy: 416.9283041663404
Energy: 427.62164516319723
Energy: 416.9283041663407
Energy: 427.62164516319694
Energy: 416.92830416634024
Energy: 427.62164516319694
Energy: 414.7593791800269
Energy: 425.1877901395338
Energy: 414.7593791800264
Energy: 425.18779013953355
Energy: 414.7593791800266
Energy: 425.1877901395338
Energy: 416.9293691464594
Energy: 427.58687112725346
Energy: 416.9293691464591
Energy: 427.58687112725346
Energy: 416.9293691464594
Energy: 427.58687112725346
Energy: 428.7627753609709
Energy: 415.44756575758043
Energy: 428.7627753609712
Energy: 415.44756575758123
Energy: 428.7627753609709
Energy: 415.44756575758123

minimum gb energy = 414.7593791800264 eV
minimum distance =  2.3582235156632 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 613.860711863712
Energy: 616.807767562984
Energy: 613.8607118637113
Energy: 616.8077675629835
Energy: 613.8607118637117
Energy: 616.8077675629844
Energy: 615.5900144414436
Energy: 619.7711826867679
Energy: 615.5900144414429
Energy: 619.7711826867684
Energy: 615.5900144414436
Energy: 619.7711826867684
Energy: 625.2541702683667
Energy: 614.4949046338147
Energy: 625.2541702683667
Energy: 614.4949046338171
Energy: 625.2541702683668
Energy: 614.4949046338178
Energy: 615.6900937783696
Energy: 622.0327721961659
Energy: 615.6900937783696
Energy: 622.0327721961636
Energy: 615.6900937783685
Energy: 622.0327721961652
Energy: 616.6477404798376
Energy: 619.9939982410737
Energy: 616.6477404798355
Energy: 619.9939982410735
Energy: 616.6477404798366
Energy: 619.9939982410737
Energy: 616.775574109914
Energy: 617.1022174862496
Energy: 616.775574109914
Energy: 617.1022174862496
Energy: 616.7755741099134
Energy: 617.1022174862507
Energy: 620.3363876235678
Energy: 614.1097489646373
Energy: 620.3363876235679
Energy: 614.109748964639
Energy: 620.3363876235679
Energy: 614.1097489646401
Energy: 617.2296046435672
Energy: 621.6176732706741
Energy: 617.229604643566
Energy: 621.6176732706743
Energy: 617.229604643566
Energy: 621.6176732706741
Energy: 619.7690659724486
Energy: 620.2704773526048
Energy: 619.7690659724476
Energy: 620.2704773526048
Energy: 619.7690659724481
Energy: 620.2704773526048
Energy: 618.1006282295234
Energy: 617.1255231378507
Energy: 618.1006282295227
Energy: 617.1255231378466
Energy: 618.1006282295223
Energy: 617.1255231378507
Energy: 617.0314556918075
Energy: 615.5713877425034
Energy: 617.0314556918075
Energy: 615.5713877425035
Energy: 617.0314556918083
Energy: 615.571387742504
Energy: 616.6752360898776
Energy: 622.4468378374237
Energy: 616.6752360898782
Energy: 622.2460979979926
Energy: 616.6752360898794
Energy: 622.2795577146487
Energy: 619.7843417016312
Energy: 620.2787019837771
Energy: 619.7843417016312
Energy: 620.2787019837773
Energy: 619.7843417016315
Energy: 620.2787019837767
Energy: 620.1358956326586
Energy: 617.9322246318187
Energy: 620.1358956326587
Energy: 617.9322246318176
Energy: 620.1358956326586
Energy: 617.9322246318183
Energy: 617.4696459924905
Energy: 616.8903682697279
Energy: 617.4696459924905
Energy: 616.8903682697294
Energy: 617.46964599249
Energy: 616.8903682697284
Energy: 614.0275871731468
Energy: 618.118844245112
Energy: 614.0275871731435
Energy: 618.1188442451106
Energy: 614.0275871731476
Energy: 618.118844245112
Energy: 619.7519225859564
Energy: 619.628747716292
Energy: 619.7519225859544
Energy: 619.6287477162912
Energy: 619.7519225859547
Energy: 619.628747716291
Energy: 620.047103194073
Energy: 618.0305657686469
Energy: 620.047103194073
Energy: 618.0305657686465
Energy: 620.0471031940733
Energy: 618.0305657686463
Energy: 617.9381666260697
Energy: 622.5351393703073
Energy: 617.93816662607
Energy: 622.5351393703073
Energy: 617.93816662607
Energy: 622.5351393703073
Energy: 617.6139725681436
Energy: 619.7825906607179
Energy: 617.6139725681439
Energy: 619.7825906607183
Energy: 617.6139725681436
Energy: 619.7825906607171
Energy: 619.7696932727574
Energy: 616.8578421193029
Energy: 619.7696932727549
Energy: 616.8578421193032
Energy: 619.769693272754
Energy: 616.8578421193029
Energy: 620.1461781737255
Energy: 615.7883679192952
Energy: 620.146178173725
Energy: 615.7883679192964
Energy: 620.1461781737255
Energy: 615.7883679192944
Energy: 617.7959298456772
Energy: 624.0207356157287
Energy: 617.7959298456772
Energy: 624.0207356157287
Energy: 617.7959298456772
Energy: 624.0207356157287
Energy: 619.6932766050883
Energy: 620.5276566655006
Energy: 619.6932766050879
Energy: 620.5276566655003
Energy: 619.6932766050879
Energy: 620.5276566655006
Energy: 619.7062584129013
Energy: 616.8608046170681
Energy: 619.7062584129023
Energy: 616.8608046170681
Energy: 619.706258412901
Energy: 616.8608046170681
Energy: 616.8181163295785
Energy: 617.0709211663653
Energy: 616.8181163295775
Energy: 617.0709211663653
Energy: 616.8181163295778
Energy: 617.070921166366
Energy: 617.0621494516139
Energy: 622.0981874710687
Energy: 617.0621494516151
Energy: 622.0981874710687
Energy: 617.0621494516132
Energy: 622.0981874710687
Energy: 619.6271363824668
Energy: 621.9684601999995
Energy: 619.6271363824668
Energy: 621.9684601999995
Energy: 619.6271363824651
Energy: 621.9684601999995
Energy: 619.5222014077033
Energy: 619.640501890614
Energy: 619.5222014077033
Energy: 619.6405018906137
Energy: 619.5222014077038
Energy: 619.6405018906149
Energy: 614.4509143944861
Energy: 616.7294868005331
Energy: 614.4509143944855
Energy: 616.7294868005346
Energy: 614.4509143944857
Energy: 616.7294868005348
Energy: 617.7482161662576
Energy: 617.3016046535423
Energy: 617.7482161662573
Energy: 617.3016046535423
Energy: 617.7482161662573
Energy: 617.301604653542
Energy: 619.4616718749227
Energy: 620.5798881581037
Energy: 619.4616718749227
Energy: 620.5798881581046
Energy: 619.4616718749227
Energy: 620.5798881581044
Energy: 619.4806318202099
Energy: 619.596799966271
Energy: 619.4806318202102
Energy: 619.5967999662703
Energy: 619.4806318202102
Energy: 619.5967999662703
Energy: 615.0579137974107
Energy: 621.5577372340858
Energy: 615.0579137974107
Energy: 621.5577372340865
Energy: 615.0579137974111
Energy: 621.5577372340865
Energy: 620.2879677313182
Energy: 617.5737608312088
Energy: 620.2879677313178
Energy: 617.5737608312083
Energy: 620.2879677313178
Energy: 617.5737608312078
Energy: 619.6014778808236
Energy: 616.8381202272982
Energy: 619.6014778808236
Energy: 616.8381202273001
Energy: 619.601477880824
Energy: 616.8381202272999
Energy: 619.6748577391509
Energy: 619.5730882267013
Energy: 619.6748577391502
Energy: 619.5730882267003
Energy: 619.6748577391502
Energy: 619.5730882267003
Energy: 614.7756047389083
Energy: 622.4199343169889
Energy: 614.7756047389098
Energy: 622.4199343169889
Energy: 614.7756047389083
Energy: 622.4199343169882
Energy: 622.8448938566409
Energy: 616.435748572008
Energy: 622.8448938566406
Energy: 616.4357485720084
Energy: 622.8448938566409
Energy: 616.4357485720093
Energy: 619.7813715446741
Energy: 616.8898167078228
Energy: 619.7813715446744
Energy: 616.8898167079572
Energy: 619.7813715446747
Energy: 616.8898167079191
Energy: 617.7292200665318
Energy: 620.3255372823547
Energy: 617.7292200665311
Energy: 620.3255372823547
Energy: 617.7292200665315
Energy: 620.3255372823547
Energy: 615.6136593962254
Energy: 622.590673522546
Energy: 615.6136593962254
Energy: 622.590673522546
Energy: 615.6136593962254
Energy: 622.5906735225468
Energy: 622.2976026046606
Energy: 617.5348962619837
Energy: 622.2976026046606
Energy: 617.5348962619829
Energy: 622.2976026046596
Energy: 617.5348962619832
Energy: 619.7581448873846
Energy: 619.5886347408957
Energy: 619.7581448873848
Energy: 619.5886347408936
Energy: 619.7581448873846
Energy: 619.5886347408942
Energy: 614.0313832192984
Energy: 616.720973563523
Energy: 614.031383219297
Energy: 616.7209735635223
Energy: 614.0313832192974
Energy: 616.720973563523
Energy: 616.0483458416544
Energy: 620.160287051584
Energy: 616.0483458416536
Energy: 620.1602870515836
Energy: 616.0483458416547
Energy: 620.1602870515836
Energy: 622.578376859659
Energy: 617.7828701613549
Energy: 622.57837685966
Energy: 617.7828701613541
Energy: 622.57837685966
Energy: 617.7828701613547
Energy: 619.8079921227029
Energy: 619.7202606616169
Energy: 619.8079921227034
Energy: 619.7202606616172
Energy: 619.8079921227039
Energy: 619.7202606616165
Energy: 618.0374542207276
Energy: 620.3512503729226
Energy: 618.0374542207276
Energy: 620.3512503729219
Energy: 618.0374542207276
Energy: 620.3512503729226
Energy: 617.3856814537929
Energy: 617.3291348953228
Energy: 617.3856814537926
Energy: 617.3291348953222
Energy: 617.3856814537926
Energy: 617.3291348953229
Energy: 618.9810583626642
Energy: 617.4120509524473
Energy: 618.9810583626642
Energy: 617.412050952447
Energy: 618.9810583626645
Energy: 617.4120509524481

minimum gb energy = 613.8607118637113 eV
minimum distance =  2.27795851163701 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 447.4355856597297
Energy: 447.4340044968518
Energy: 447.86081685908925
Energy: 447.43400449685123
Energy: 447.4355856597297
Energy: 447.43400449685083
Energy: 447.4446544301392
Energy: 447.8464934978495
Energy: 447.4446544301397
Energy: 447.8464934978495
Energy: 447.4446544301392
Energy: 447.8464934978495
Energy: 452.8951559668674
Energy: 449.0807081497908
Energy: 452.9030000250218
Energy: 449.0807081497908
Energy: 452.8951559668674
Energy: 449.0807081497908
Energy: 443.8582629879683
Energy: 447.4036972669621
Energy: 443.8582629879688
Energy: 447.4036972669621
Energy: 443.8582629879693
Energy: 447.4036972669621
Energy: 447.4262910788211
Energy: 447.8608665133883
Energy: 447.4262910788211
Energy: 447.8608665133883
Energy: 447.4262910788216
Energy: 447.8608665133883
Energy: 448.36396345261915
Energy: 447.7728658010657
Energy: 448.36396345261915
Energy: 447.77286580106653
Energy: 448.36396345261915
Energy: 447.772865801066
Energy: 452.935219311518
Energy: 448.8382268237004
Energy: 452.93521931151855
Energy: 448.8382268237004
Energy: 452.935219311518
Energy: 448.8382268237004
Energy: 448.34450727546204
Energy: 447.5096963841795
Energy: 448.34443638382305
Energy: 447.5096963841795
Energy: 448.3445072754626
Energy: 447.50969638417985
Energy: 447.46143988333847
Energy: 447.86367692687304
Energy: 447.461439883338
Energy: 447.86367692687355
Energy: 447.461439883338
Energy: 447.86367692687253
Energy: 455.66732670358294
Energy: 440.7914369334836
Energy: 455.66732670358294
Energy: 440.79143693348414
Energy: 455.66732670358294
Energy: 440.79143693348414
Energy: 447.97943986474894
Energy: 451.6182283045981
Energy: 447.9794398647485
Energy: 451.6182283045981
Energy: 447.97943986474894
Energy: 451.6182283045981
Energy: 448.40212193726745
Energy: 448.45148680605473
Energy: 448.40212193726745
Energy: 448.45148680605473
Energy: 448.40212193726745
Energy: 448.45148680605473
Energy: 447.5815693136152
Energy: 447.47832760340793
Energy: 447.58156931361566
Energy: 447.47832760340833
Energy: 447.5815693136166
Energy: 447.47832760340793
Energy: 448.76565385723353
Energy: 449.3430069794685
Energy: 448.765653857233
Energy: 449.3430069794685
Energy: 448.76565385723353
Energy: 449.34300697946816
Energy: 449.2914550026998
Energy: 457.7568264233606
Energy: 449.29145500269937
Energy: 457.7568264233611
Energy: 449.2914550026998
Energy: 457.75682642336153
Energy: 447.7451530166268
Energy: 448.0662498285188
Energy: 447.7451530166263
Energy: 448.06624982851935
Energy: 447.7451530166263
Energy: 448.0662498285188
Energy: 447.36835773206104
Energy: 447.8266061539173
Energy: 447.3683577320614
Energy: 447.82660615391643
Energy: 447.36835773206104
Energy: 447.8266061539168
Energy: 456.69771531331475
Energy: 444.77399203887825
Energy: 456.6634884341699
Energy: 444.7739920388764
Energy: 456.6977153133153
Energy: 444.7739920388764
Energy: 449.0235451528994
Energy: 452.00872649097545
Energy: 449.0235451528994
Energy: 452.0087264909759
Energy: 449.0235451528997
Energy: 452.0087264909759
Energy: 448.1581332054561
Energy: 448.2131350518251
Energy: 448.1581332054561
Energy: 448.2131350518255
Energy: 448.1581332054561
Energy: 448.21313505182604
Energy: 447.9448827289274
Energy: 448.82396347032164
Energy: 447.9448827289279
Energy: 448.82396347032164
Energy: 447.9448827289279
Energy: 448.82396347032164
Energy: 448.40985981355067
Energy: 452.16443738962687
Energy: 448.7992888984271
Energy: 452.16443738962687
Energy: 448.40985981355067
Energy: 452.16443738962687
Energy: 448.45404823156747
Energy: 452.5975729380242
Energy: 448.88600505772655
Energy: 452.5975729380242
Energy: 448.45404823156747
Energy: 452.59757293802465
Energy: 447.51570923806815
Energy: 448.81509755518255
Energy: 447.51570923806815
Energy: 448.81509755518255
Energy: 447.51570923806815
Energy: 448.81509755518255
Energy: 447.89514928021305
Energy: 447.7168291158997
Energy: 447.89514928021305
Energy: 447.7168291158997
Energy: 447.8951492802135
Energy: 447.7168291158992
Energy: 449.30846608808594
Energy: 451.8039181982423
Energy: 449.30846608808594
Energy: 451.80391819824274
Energy: 449.30846608808594
Energy: 451.80391819824274
Energy: 455.69527450603044
Energy: 445.0144284225525
Energy: 455.69527450603084
Energy: 445.0144284225525
Energy: 455.69527450603084
Energy: 445.0144284225525
Energy: 447.3614548381353
Energy: 447.8198124013214
Energy: 447.3614548381367
Energy: 447.8198124013211
Energy: 447.36145483813624
Energy: 447.8198124013219
Energy: 447.447207199291
Energy: 447.5711178123944
Energy: 447.5120265076284
Energy: 447.5711178123939
Energy: 447.4472071992899
Energy: 447.5711178123939
Energy: 449.1990007844949
Energy: 457.9499595934576
Energy: 449.19900078449547
Energy: 457.9499595934576
Energy: 449.19900078449547
Energy: 457.9499595934576
Energy: 448.3215587047241
Energy: 448.31360534645694
Energy: 448.3215587047241
Energy: 448.31360534645694
Energy: 448.3215587047241
Energy: 448.3136053464573
Energy: 447.8456276800432
Energy: 447.4173717669324
Energy: 447.8456276800432
Energy: 447.4173717669315
Energy: 447.8456276800432
Energy: 447.4173717669315
Energy: 447.8095585968143
Energy: 448.2453600410474
Energy: 447.80955859681336
Energy: 448.2453600410474
Energy: 447.80955859681336
Energy: 448.2453600410474
Energy: 448.2751893537026
Energy: 452.1139785115195
Energy: 448.2751893537022
Energy: 452.1139785115195
Energy: 448.2751893537022
Energy: 452.113978511519
Energy: 454.8858629867271
Energy: 440.9607196138059
Energy: 454.8824405249454
Energy: 440.9607196138045
Energy: 454.88586298672755
Energy: 440.9607196138059
Energy: 448.1655880282675
Energy: 447.8436774052938
Energy: 448.1655880282675
Energy: 447.8436774052938
Energy: 448.165588028267
Energy: 447.8436774052938
Energy: 447.54482689924106
Energy: 448.35331426929184
Energy: 447.54482689924157
Energy: 448.35331426929184
Energy: 447.54482689924106
Energy: 448.35331426929145
Energy: 452.3280542577887
Energy: 447.9354654363348
Energy: 452.3280542577887
Energy: 447.93546543633374
Energy: 452.3280542577887
Energy: 447.93546543633425

minimum gb energy = 440.7914369334836 eV
minimum distance =  2.34032983997663 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 359.4125562780483
Energy: 364.06425502362924
Energy: 359.4125562780483
Energy: 364.06425502362924
Energy: 359.4125562780483
Energy: 364.06425502362924
Energy: 363.0615245712146
Energy: 363.9272325272845
Energy: 363.0615245712146
Energy: 363.9272325272845
Energy: 363.0615245712146
Energy: 363.9272325272845
Energy: 370.41005318182454
Energy: 359.2439478268178
Energy: 370.2618651080951
Energy: 359.2439478268178
Energy: 370.2618651080951
Energy: 359.2439478268178
Energy: 364.4613929644611
Energy: 366.16365002805765
Energy: 364.4613929644611
Energy: 366.1636500280559
Energy: 364.4613929644599
Energy: 366.1636500280559
Energy: 363.98392220380566
Energy: 366.53125069095785
Energy: 363.98392220380504
Energy: 366.53125069095836
Energy: 363.98392220380566
Energy: 366.53125069095785
Energy: 365.28923267711883
Energy: 362.39355499962096
Energy: 365.28923267711883
Energy: 362.39355499962153
Energy: 365.28923267711883
Energy: 362.39355499962096
Energy: 364.5246961148493
Energy: 360.4844586892628
Energy: 364.5246961148493
Energy: 360.4844586892628
Energy: 364.5246961148493
Energy: 360.48445868926336
Energy: 361.49393476545697
Energy: 366.77278558034163
Energy: 361.49393476545697
Energy: 366.77278558034163
Energy: 361.49393476545697
Energy: 366.77278558034163
Energy: 364.2606831743786
Energy: 366.55293678924164
Energy: 364.2606831743781
Energy: 366.55293678924164
Energy: 364.2606831743781
Energy: 366.55293678924164
Energy: 368.89693193011993
Energy: 362.0899153909473
Energy: 368.89693193011993
Energy: 362.0899153909467
Energy: 368.89693193011993
Energy: 362.0899153909473
Energy: 365.23539878994325
Energy: 365.4030212889366
Energy: 365.23539878994325
Energy: 365.40302128893717
Energy: 365.23539878994325
Energy: 365.40302128893717
Energy: 361.53825683600166
Energy: 365.3373196873243
Energy: 361.53825683600166
Energy: 365.3373196873243
Energy: 361.5382568360012
Energy: 365.3373196873243
Energy: 364.07433356246275
Energy: 361.5799004573397
Energy: 364.07433356246275
Energy: 361.5799004573403
Energy: 364.07433356246275
Energy: 361.5799004573403
Energy: 366.4808826632981
Energy: 362.39908041772605
Energy: 366.48088266329864
Energy: 362.39908041772605
Energy: 366.4808826632981
Energy: 362.39908041772543
Energy: 364.53637811212025
Energy: 366.2919263573999
Energy: 364.53637811212025
Energy: 366.2919263573999
Energy: 364.53637811212025
Energy: 366.2919263573999
Energy: 363.9090971449965
Energy: 366.4226741539955
Energy: 363.9090971449965
Energy: 366.42267415399607
Energy: 363.90909714499696
Energy: 366.42267415399607
Energy: 364.1116381708955
Energy: 363.998122081776
Energy: 364.1116381708955
Energy: 363.998122081776
Energy: 364.1116381708961
Energy: 363.998122081776
Energy: 362.4090049392962
Energy: 363.62648856828923
Energy: 362.4090049392962
Energy: 363.62648856828923
Energy: 362.4090049392962
Energy: 363.62648856828923
Energy: 362.1078087127167
Energy: 362.6891951923951
Energy: 362.1078087127173
Energy: 362.6891951923951
Energy: 362.1078087127162
Energy: 362.68919519239455
Energy: 364.1858508664448
Energy: 363.9297775828866
Energy: 364.1858508664448
Energy: 363.929777582887
Energy: 364.18585086644543
Energy: 363.9297775828866
Energy: 363.89716549826335
Energy: 365.5938180046706
Energy: 363.89716549826386
Energy: 365.59381800467
Energy: 363.89716549826386
Energy: 365.5938180046706
Energy: 361.5388959969577
Energy: 371.34710899341377
Energy: 361.53889599695657
Energy: 371.34710899341377
Energy: 361.5388959969577
Energy: 371.34710899341377
Energy: 366.867716767762
Energy: 361.78531617758887
Energy: 366.867716767762
Energy: 361.78531617758836
Energy: 366.867716767762
Energy: 361.78531617758887
Energy: 364.05865241846885
Energy: 361.75285869704356
Energy: 364.05865241846885
Energy: 361.752858697043
Energy: 364.05865241846885
Energy: 361.7528586970424
Energy: 361.4860209615645
Energy: 364.0914646325256
Energy: 361.48602096156515
Energy: 364.0914646325256
Energy: 361.48602096156515
Energy: 364.09146463252506
Energy: 361.80906854163436
Energy: 366.5766689744154
Energy: 361.80906854163555
Energy: 366.5766689744154
Energy: 361.80906854163493
Energy: 366.5766689744154
Energy: 367.8909387442713
Energy: 364.48262705091764
Energy: 367.89093874427243
Energy: 364.4826270509171
Energy: 367.8909387442713
Energy: 364.4826270509171
Energy: 364.10432821694997
Energy: 366.4547300835125
Energy: 364.10432821694997
Energy: 366.45473008351365
Energy: 364.10432821694997
Energy: 366.45473008351365
Energy: 361.5494232210644
Energy: 366.3761640866995
Energy: 361.5494232210644
Energy: 366.37616408670004
Energy: 361.5494232210644
Energy: 366.3761640866995
Energy: 361.7762521062756
Energy: 363.27383422913346
Energy: 361.7762521062762
Energy: 363.27383422913346
Energy: 361.7762521062756
Energy: 363.27383422913346
Energy: 365.2663041217643
Energy: 362.5150794013762
Energy: 365.2663041217637
Energy: 362.5150794013607
Energy: 365.2663041217637
Energy: 362.5150794013602

minimum gb energy = 359.2439478268178 eV
minimum distance =  2.31127837708442 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 417.5740789628434
Energy: 424.05212792266803
Energy: 417.57407896284485
Energy: 424.05212792266724
Energy: 417.57407896284417
Energy: 424.05212792266803
Energy: 421.90327396989585
Energy: 424.26984540437667
Energy: 421.90327396989585
Energy: 424.26984540437667
Energy: 421.90327396989585
Energy: 424.26984540437667
Energy: 427.41917668500855
Energy: 419.2938382165062
Energy: 427.41917668500855
Energy: 419.2938382165062
Energy: 427.41917668500855
Energy: 419.2938382165062
Energy: 419.6681009709656
Energy: 423.86703964294725
Energy: 419.6681009709656
Energy: 423.86703964294645
Energy: 419.6681009709656
Energy: 423.86703964294725
Energy: 423.8996250830476
Energy: 424.0056329434724
Energy: 423.89962508304683
Energy: 424.00563294347387
Energy: 423.89962508304683
Energy: 424.00563294347387
Energy: 427.05600247351805
Energy: 421.94920957553285
Energy: 427.05600247351805
Energy: 421.94920957553285
Energy: 427.0560024735188
Energy: 421.94920957553285
Energy: 424.45538472498
Energy: 421.67494228875324
Energy: 424.45538472498
Energy: 421.6749422886187
Energy: 424.45538472498066
Energy: 421.67494228869015
Energy: 417.62631500387994
Energy: 424.1893921547764
Energy: 417.62631500387994
Energy: 424.1893921547764
Energy: 417.62631500387994
Energy: 424.1893921547764
Energy: 424.3352748838017
Energy: 424.244176976256
Energy: 424.3352748838017
Energy: 424.2441769762554
Energy: 424.3352748838009
Energy: 424.2441769762569
Energy: 431.8288046989833
Energy: 421.94077015209734
Energy: 431.8288046989833
Energy: 421.94077015209734
Energy: 431.8288046989833
Energy: 421.94077015209734
Energy: 424.8762117634881
Energy: 423.8279176639945
Energy: 424.8762117634881
Energy: 423.8279176639953
Energy: 424.8762117634881
Energy: 423.8279176639953
Energy: 423.90673184586814
Energy: 424.1787884903927
Energy: 423.90673184586956
Energy: 424.1787884903927
Energy: 423.90673184586893
Energy: 424.1787884903927
Energy: 430.5285227875779
Energy: 424.6756252397219
Energy: 430.5285227875779
Energy: 424.6756252397219
Energy: 430.5285227875779
Energy: 424.6756252397219
Energy: 423.47556725872727
Energy: 424.31514841238635
Energy: 423.4755672587296
Energy: 424.31514841238635
Energy: 423.47556725872727
Energy: 424.31514841238635
Energy: 424.00148014079247
Energy: 423.8403372858801
Energy: 424.0014801407931
Energy: 423.8403372858801
Energy: 424.0014801407931
Energy: 423.84033728587923
Energy: 425.1010675941406
Energy: 423.87221959709626
Energy: 425.1010675941398
Energy: 423.87221959709706
Energy: 425.1010675941406
Energy: 423.87221959709626
Energy: 430.97797536230536
Energy: 420.70100998938995
Energy: 430.97797536230536
Energy: 420.7010099893892
Energy: 430.97797536230536
Energy: 420.70100998938995
Energy: 424.7945654753983
Energy: 432.6188536066969
Energy: 424.7945654753983
Energy: 432.6188536066969
Energy: 424.7945654753975
Energy: 432.6188536066969
Energy: 431.4751831379978
Energy: 420.78289391096126
Energy: 431.4751831379978
Energy: 420.78289391096126
Energy: 431.4751831379978
Energy: 420.78289391096126
Energy: 425.07674907571266
Energy: 423.86483026326533
Energy: 425.07674907571266
Energy: 423.8648302632646
Energy: 425.07674907571266
Energy: 423.8648302632632
Energy: 424.0106229905304
Energy: 424.23321280716016
Energy: 424.0106229905296
Energy: 424.2332128071595
Energy: 424.0106229905304
Energy: 424.23321280716016
Energy: 424.144159677011
Energy: 428.5678547590623
Energy: 424.144159677011
Energy: 428.5678547590623
Energy: 424.144159677011
Energy: 428.5678547590623
Energy: 430.52754626913645
Energy: 424.6395260434854
Energy: 430.52754626913645
Energy: 424.63952604348464
Energy: 430.52754626913645
Energy: 424.63952604348464
Energy: 423.8529606277456
Energy: 424.0805380648973
Energy: 423.8529606277491
Energy: 424.0805380648973
Energy: 423.85296062773807
Energy: 424.0805380648973

minimum gb energy = 417.5740789628434 eV
minimum distance =  2.32273528581179 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 397.703175065269
Energy: 396.96545167047424
Energy: 397.703175065269
Energy: 396.96545167047526
Energy: 397.703175065269
Energy: 396.96545167047424
Energy: 399.10896683494644
Energy: 396.9495780384398
Energy: 399.10896683494644
Energy: 396.9495780384398
Energy: 399.10896683494644
Energy: 396.9495780384398
Energy: 402.70640647473357
Energy: 393.96539151598586
Energy: 402.70640647473357
Energy: 393.96539151598586
Energy: 402.70640647473357
Energy: 393.96539151598586
Energy: 401.6383662098768
Energy: 396.6591324777496
Energy: 401.6383662098768
Energy: 396.6591324777496
Energy: 401.6383662098768
Energy: 396.6591324777507
Energy: 401.6596374898035
Energy: 396.8944391431055
Energy: 401.65963748980255
Energy: 396.8944391431055
Energy: 401.6596374898035
Energy: 396.8944391431066
Energy: 401.15943943713
Energy: 398.0284086798142
Energy: 401.159439437129
Energy: 398.0284086798142
Energy: 401.159439437129
Energy: 398.0284086798142
Energy: 402.04505664507275
Energy: 401.46282171404044
Energy: 402.04505664507275
Energy: 401.46282171404044
Energy: 402.04505664507275
Energy: 401.46282171404044
Energy: 401.59922019800246
Energy: 397.1433557013738
Energy: 401.59922019800246
Energy: 397.1433557013738
Energy: 401.59922019800246
Energy: 397.1433557013738
Energy: 401.2897483395744
Energy: 396.9204010339006
Energy: 401.2897483395733
Energy: 396.9204010339006
Energy: 401.2897483395744
Energy: 396.9204010339006
Energy: 397.36050673519964
Energy: 398.87269270750164
Energy: 397.36050673519964
Energy: 398.8726927075027
Energy: 397.36050673519964
Energy: 398.87269270750164
Energy: 398.1765069722593
Energy: 401.5624938056808
Energy: 398.1765069722593
Energy: 401.56249380567965
Energy: 398.1765069722593
Energy: 401.56249380567965
Energy: 401.568786861105
Energy: 396.99409750833416
Energy: 401.568786861105
Energy: 396.99409750833416
Energy: 401.568786861105
Energy: 396.99409750833416
Energy: 401.11318538153256
Energy: 397.9374834938623
Energy: 401.11318538153256
Energy: 397.9374834938623
Energy: 401.11318538153256
Energy: 397.9374834938623
Energy: 397.36457407191875
Energy: 404.0308716828548
Energy: 397.3645740719177
Energy: 404.0308716828548
Energy: 397.36457407191875
Energy: 404.0308716828548
Energy: 401.5163049982934
Energy: 401.927871495966
Energy: 401.51630499829446
Energy: 401.927871495966
Energy: 401.51630499829446
Energy: 401.927871495966
Energy: 401.5709491379345
Energy: 398.1143786443646
Energy: 401.57094913803854
Energy: 398.11437864436357
Energy: 401.5709491379534
Energy: 398.1143786443646
Energy: 396.84651157051485
Energy: 404.36637537093986
Energy: 396.84651157051593
Energy: 404.36637537093986
Energy: 396.84651157051485
Energy: 404.36637537093986

minimum gb energy = 393.96539151598586 eV
minimum distance =  2.3505883325821 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 515.375148112632
Energy: 519.2903533152748
Energy: 515.3751481126328
Energy: 519.2903533152748
Energy: 515.3751481126328
Energy: 519.2903533152748
Energy: 518.4510849490778
Energy: 518.3610620068229
Energy: 518.4510849490784
Energy: 518.3610620068225
Energy: 518.4510849490773
Energy: 518.3610620068225
Energy: 519.8571677275415
Energy: 519.245420475388
Energy: 519.857167727542
Energy: 519.245420475388
Energy: 519.8571677275415
Energy: 519.2454204753875
Energy: 518.7542423102891
Energy: 521.3961786998442
Energy: 518.7542423102886
Energy: 521.3961786998442
Energy: 518.7542423102891
Energy: 521.3961786998442
Energy: 520.6849445627029
Energy: 519.1258181250563
Energy: 520.6849445627037
Energy: 519.1258181250563
Energy: 520.6849445627029
Energy: 519.1258181250566
Energy: 523.769055824111
Energy: 517.2977345999976
Energy: 523.7690558241114
Energy: 517.2977345999968
Energy: 523.7690558241118
Energy: 517.2977345999976
Energy: 518.8338219875925
Energy: 521.9953320682741
Energy: 518.8338219875925
Energy: 521.9953320682741
Energy: 518.8338219875922
Energy: 521.9953320682741
Energy: 518.5323341961575
Energy: 518.7922226281169
Energy: 518.5323341961588
Energy: 518.7922226281173
Energy: 518.5323341961579
Energy: 518.7922226281169
Energy: 521.6399069229758
Energy: 514.7763775801702
Energy: 521.6399069229745
Energy: 514.7763775801709
Energy: 521.6399069229753
Energy: 514.7763775801709
Energy: 518.8449900842796
Energy: 521.5373634980189
Energy: 518.8449900842793
Energy: 521.5373634980193
Energy: 518.8449900842793
Energy: 521.5373634980189
Energy: 518.6100026000303
Energy: 519.0522167735253
Energy: 518.6100026000303
Energy: 519.0522167735253
Energy: 518.6100026000303
Energy: 519.0522167735256
Energy: 518.361283502323
Energy: 515.0398505797863
Energy: 518.361283502323
Energy: 515.0398505797858
Energy: 518.3612835023233
Energy: 515.0398505797863
Energy: 515.2865722423771
Energy: 516.2869470945907
Energy: 515.2865722423775
Energy: 516.2869470945899
Energy: 515.2865722423775
Energy: 516.2869470945907
Energy: 515.165611287294
Energy: 518.9968621425279
Energy: 515.1656112872944
Energy: 518.9968621425279
Energy: 515.165611287294
Energy: 518.9968621425279
Energy: 518.5298252072604
Energy: 514.9181103472738
Energy: 518.5298252072611
Energy: 514.9181103472738
Energy: 518.5298252072595
Energy: 514.918110347273
Energy: 518.4229546569284
Energy: 517.120985926829
Energy: 518.422954656928
Energy: 517.8772748074731
Energy: 518.422954656928
Energy: 517.120985926827
Energy: 514.7246024794089
Energy: 521.6940997497478
Energy: 514.72460247941
Energy: 521.6940997497481
Energy: 514.7246024794105
Energy: 521.6940997497475
Energy: 518.3009648175616
Energy: 519.1630781671317
Energy: 518.300964817562
Energy: 519.1630781671317
Energy: 518.300964817562
Energy: 519.1630781671317
Energy: 518.1383697998314
Energy: 516.819510179019
Energy: 518.1383697998301
Energy: 516.8195101790185
Energy: 518.1383697998306
Energy: 516.8195101790193
Energy: 514.6141330773601
Energy: 526.0843096992867
Energy: 514.6141330773605
Energy: 526.0843096992867
Energy: 514.6141330773605
Energy: 526.084309699287
Energy: 518.2308642122905
Energy: 517.0177424704681
Energy: 518.2308642122905
Energy: 517.0177424704669
Energy: 518.230864212291
Energy: 517.0177424704681
Energy: 518.2755149889907
Energy: 519.1634272716334
Energy: 518.2755149889907
Energy: 519.163427271633
Energy: 518.2755149889907
Energy: 519.1634272716334
Energy: 514.7853997865082
Energy: 521.6810833992997
Energy: 514.7853997865082
Energy: 521.6810833992997
Energy: 514.7853997865082
Energy: 521.6810833993001
Energy: 518.2156290982912
Energy: 517.0298035556581
Energy: 518.2156290982908
Energy: 517.0298035556584
Energy: 518.2156290982908
Energy: 517.0298035556576
Energy: 518.5568980082053
Energy: 514.9118412363272
Energy: 518.5568980082048
Energy: 514.9118412363259
Energy: 518.5568980082045
Energy: 514.9118412363259
Energy: 515.1667849529115
Energy: 518.4074790156544
Energy: 515.1667849529111
Energy: 518.4074790156552
Energy: 515.1667849529107
Energy: 518.4074790156557
Energy: 514.9564902448972
Energy: 516.2127324882938
Energy: 514.9564902448972
Energy: 516.2127324882938
Energy: 514.9564902448972
Energy: 516.2127324882943
Energy: 518.2955587258564
Energy: 514.8212712325912
Energy: 518.2955587258564
Energy: 514.8212712325924
Energy: 518.295558725856
Energy: 514.8212712325917
Energy: 518.4779266776602
Energy: 519.0569367777608
Energy: 518.477926677659
Energy: 519.0569367777608
Energy: 518.4779266776586
Energy: 519.0569367777608
Energy: 518.848434359816
Energy: 521.5609096545284
Energy: 518.848434359816
Energy: 521.5609096545292
Energy: 518.848434359816
Energy: 521.5609096545287
Energy: 521.6240939767666
Energy: 515.3617125842903
Energy: 521.6240939767671
Energy: 515.3617125842908
Energy: 521.6240939767666
Energy: 515.3617125842908
Energy: 518.5336927757126
Energy: 518.5572352295661
Energy: 518.5336927757116
Energy: 518.5572352295657
Energy: 518.5336927757133
Energy: 518.5572352295661
Energy: 518.642639996954
Energy: 521.9820339846297
Energy: 518.6426399969537
Energy: 521.9820339846297
Energy: 518.6426399969548
Energy: 521.9820339846297
Energy: 523.4871490869448
Energy: 518.7338935212497
Energy: 523.4871490869443
Energy: 518.7338935212497
Energy: 523.4871490869448
Energy: 518.7338935212497
Energy: 520.6497418692702
Energy: 519.1262904886114
Energy: 520.6497418692707
Energy: 519.1262904886114
Energy: 520.6497418692702
Energy: 519.1262904886114
Energy: 518.5487470923381
Energy: 520.1854890707915
Energy: 518.5487470923381
Energy: 520.1854890707918
Energy: 518.5487470923393
Energy: 520.1854890707915
Energy: 520.0380903731498
Energy: 518.8763385004808
Energy: 520.0380903731494
Energy: 518.8763385004808
Energy: 520.0380903731498
Energy: 518.8763385004808
Energy: 518.5505880480179
Energy: 518.7562265701513
Energy: 518.5505880480191
Energy: 518.7562265701513
Energy: 518.5505880480191
Energy: 518.7562265701513
Energy: 515.3751481126317
Energy: 519.2903533152748
Energy: 515.3751481126328
Energy: 519.2903533152748
Energy: 515.3751481126324
Energy: 519.2903533152748
Energy: 518.4510849490789
Energy: 516.7493862240841
Energy: 518.4510849490781
Energy: 516.7493862240844
Energy: 518.4510849490789
Energy: 516.7493862240841
Energy: 519.8571677275407
Energy: 519.245420475388
Energy: 519.8571677275412
Energy: 519.245420475388
Energy: 519.857167727542
Energy: 519.2454204753875
Energy: 518.7542423102891
Energy: 521.8253602613235
Energy: 518.7542423102891
Energy: 521.8253602613235
Energy: 518.7542423102883
Energy: 521.8253602613239
Energy: 520.6849445627029
Energy: 519.1258181250555
Energy: 520.6849445627029
Energy: 519.1258181250555
Energy: 520.6849445627025
Energy: 519.1258181250563

minimum gb energy = 514.6141330773601 eV
minimum distance =  2.3505904702568 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 635.0082001459814
Energy: 637.129152480319
Energy: 635.0082001459814
Energy: 637.129152480319
Energy: 635.0082001459814
Energy: 637.129152480319
Energy: 638.7182197791083
Energy: 637.1148373530057
Energy: 638.7182197791083
Energy: 637.1148373530057
Energy: 638.7182197791083
Energy: 637.1148373530057
Energy: 640.9333866719777
Energy: 637.4174099029776
Energy: 640.9333866719771
Energy: 637.4174099029776
Energy: 640.9333866719771
Energy: 637.4174099029776
Energy: 636.7280003581378
Energy: 639.7888802828663
Energy: 636.7280003581378
Energy: 639.7888802828717
Energy: 636.7280003581386
Energy: 639.788880282867
Energy: 638.2774449371298
Energy: 639.0883898212917
Energy: 638.2774449371263
Energy: 639.0883898212932
Energy: 638.2774449371282
Energy: 639.0883898212932
Energy: 640.6133411321077
Energy: 636.2497565652365
Energy: 640.6133411321084
Energy: 636.2497565652345
Energy: 640.6133411321077
Energy: 636.2497565652352
Energy: 639.5865360670376
Energy: 639.1268575093084
Energy: 639.5865360670383
Energy: 639.1268575093084
Energy: 639.5865360670365
Energy: 639.1268575093084
Energy: 640.0790581772466
Energy: 637.823976526772
Energy: 640.0790581772471
Energy: 637.8239765267726
Energy: 640.0790581772471
Energy: 637.823976526772
Energy: 641.8825283994671
Energy: 636.9836307245902
Energy: 641.8825283994671
Energy: 636.9836307245988
Energy: 641.8825283994671
Energy: 636.9836307245921
Energy: 637.6104308471431
Energy: 639.0731231740837
Energy: 637.6104308471431
Energy: 639.0731231740843
Energy: 637.6104308471431
Energy: 639.0731231740837
Energy: 639.5284149012992
Energy: 636.5694395900583
Energy: 639.5284149012998
Energy: 636.5694395900575
Energy: 639.5284149013019
Energy: 636.5694395900583
Energy: 642.0950475584046
Energy: 637.7650280708431
Energy: 642.0950475584061
Energy: 637.7650280708431
Energy: 642.0950475584046
Energy: 637.7650280708425
Energy: 636.5630363107927
Energy: 637.5681463430673
Energy: 636.563036310794
Energy: 637.568146343068
Energy: 636.5630363107927
Energy: 637.568146343066
Energy: 636.2933625155596
Energy: 635.4187538107253
Energy: 636.2933625155607
Energy: 635.4187538107253
Energy: 636.2933625155601
Energy: 635.4187538107261
Energy: 639.3142801851759
Energy: 633.4516966906123
Energy: 639.3142801851759
Energy: 633.4516966906143
Energy: 639.3142801851752
Energy: 633.4516966906117
Energy: 636.0241595445854
Energy: 637.5675250090723
Energy: 636.0241595445842
Energy: 637.5675250090735
Energy: 636.0241595445848
Energy: 637.5675250090716
Energy: 633.3829346990468
Energy: 639.5424705673511
Energy: 633.3829346990468
Energy: 639.5424705673511
Energy: 633.3829346990461
Energy: 639.5424705673519
Energy: 640.2732920215471
Energy: 633.7754999765865
Energy: 640.2732920215471
Energy: 633.7754999765865
Energy: 640.2732920215471
Energy: 633.7754999765859
Energy: 635.9928922793038
Energy: 636.544374630109
Energy: 635.9928922793044
Energy: 636.5443746301083
Energy: 635.9928922793044
Energy: 636.5443746301083
Energy: 636.823433439823
Energy: 640.530671962694
Energy: 636.8234334398217
Energy: 640.5306719626947
Energy: 636.8234334398223
Energy: 640.530671962694
Energy: 639.8217906918163
Energy: 637.4119760697132
Energy: 639.8217906918163
Energy: 637.4119760697132
Energy: 639.8217906918163
Energy: 637.4119760697132
Energy: 639.3062208755267
Energy: 636.8390696434902
Energy: 639.3062208755267
Energy: 636.8390696434902
Energy: 639.306220875526
Energy: 636.8390696434896
Energy: 634.3192023539065
Energy: 643.6561437940791
Energy: 634.3192023539071
Energy: 643.6561437940785
Energy: 634.3192023539071
Energy: 643.6561437940791
Energy: 639.4425680172546
Energy: 637.0369379531493
Energy: 639.4425680172552
Energy: 637.0369379531493
Energy: 639.4425680172546
Energy: 637.0369379531486
Energy: 639.899517555436
Energy: 640.2952230412997
Energy: 639.899517555436
Energy: 640.2952230412997
Energy: 639.899517555436
Energy: 640.2952230412997
Energy: 636.2429668443315
Energy: 643.5140382084667
Energy: 636.2429668443315
Energy: 643.5140382084661
Energy: 636.2429668443328
Energy: 643.5140382084661
Energy: 638.9462176743573
Energy: 637.2935424803477
Energy: 638.9462176743565
Energy: 637.2935424803477
Energy: 638.9462176743573
Energy: 637.2935424803484

minimum gb energy = 633.3829346990461 eV
minimum distance =  2.33403504684853 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 430.48222100818555
Energy: 435.68392163789474
Energy: 430.4822210081851
Energy: 435.68392163789474
Energy: 430.4822210081851
Energy: 435.68392163789474
Energy: 436.61086855606345
Energy: 434.082788321728
Energy: 436.6108685560639
Energy: 434.0827883217291
Energy: 436.61086855606345
Energy: 434.08278832172374
Energy: 437.38529380274326
Energy: 433.5462725625173
Energy: 437.38529380274326
Energy: 433.5462725625178
Energy: 437.38529380274326
Energy: 433.5462725625178
Energy: 433.79054250876914
Energy: 437.4295370587602
Energy: 433.79054250876965
Energy: 437.4295370587602
Energy: 433.79054250876965
Energy: 437.4295370587608
Energy: 436.0726668464639
Energy: 434.3059203989126
Energy: 436.0726668464639
Energy: 434.30592039891314
Energy: 436.0726668464644
Energy: 434.3059203989117
Energy: 437.4143261277139
Energy: 433.45964284112824
Energy: 437.4143261277139
Energy: 433.45964284112716
Energy: 437.4143261277139
Energy: 433.45964284112716
Energy: 435.0520123756291
Energy: 436.57158061211237
Energy: 435.0520123756291
Energy: 436.57158061211237
Energy: 435.05201237562954
Energy: 436.571580612112
Energy: 436.1976894323793
Energy: 436.449335014984
Energy: 436.1976894323793
Energy: 436.4493350149845
Energy: 436.1976894323803
Energy: 436.44933501498497
Energy: 440.05948629320875
Energy: 435.15015694838524
Energy: 440.0594862932093
Energy: 435.15015694838667
Energy: 440.0594862932093
Energy: 435.1501569483818
Energy: 434.45909227336494
Energy: 438.13785551285554
Energy: 434.45909227336494
Energy: 438.13785551285554
Energy: 434.45909227336546
Energy: 438.137855512856
Energy: 436.77584730217416
Energy: 437.4686504226644
Energy: 436.7758473021746
Energy: 437.4686504226644
Energy: 436.7758473021746
Energy: 437.4686504226644
Energy: 438.82805928355805
Energy: 435.0600725663408
Energy: 438.82805928355805
Energy: 435.0600725663408
Energy: 438.82805928355805
Energy: 435.06007256634024
Energy: 434.3762424396705
Energy: 439.00123522873054
Energy: 434.376242439669
Energy: 439.00123522873054
Energy: 434.376242439669
Energy: 439.00123522873054
Energy: 436.48948842190066
Energy: 436.8428681775297
Energy: 436.4894884219003
Energy: 436.8428681775297
Energy: 436.48948842190066
Energy: 436.8428681775297
Energy: 438.5868281001527
Energy: 434.60291557077625
Energy: 438.5868281001527
Energy: 434.60291557077574
Energy: 438.5868281001527
Energy: 434.60291557077574
Energy: 432.6024038137002
Energy: 437.56614011759797
Energy: 432.60240381370124
Energy: 437.56614011759797
Energy: 432.60240381370124
Energy: 437.56614011759797
Energy: 435.24754886530206
Energy: 436.384179047195
Energy: 435.24754886530206
Energy: 436.3841790471945
Energy: 435.24754886530206
Energy: 436.38417904719404
Energy: 439.0064469734695
Energy: 434.3408867329421
Energy: 439.0064469734695
Energy: 434.34088673294247
Energy: 439.0064469734695
Energy: 434.34088673294247
Energy: 435.00709757777355
Energy: 435.2069888429632
Energy: 435.0070975777836
Energy: 435.20698884296274
Energy: 435.0070975777836
Energy: 435.2069888429632
Energy: 432.10415247708653
Energy: 435.92395474510636
Energy: 432.10415247708556
Energy: 435.9239547451059
Energy: 432.10415247708653
Energy: 435.92395474510687
Energy: 436.6424848060194
Energy: 433.5288640667751
Energy: 436.6424848060194
Energy: 433.5288640667751
Energy: 436.64248480601987
Energy: 433.5288640667751
Energy: 432.1283109274752
Energy: 436.52878696730824
Energy: 432.1283109274752
Energy: 436.52878696730824
Energy: 432.12831092747564
Energy: 436.52878696730824
Energy: 432.0997805945244
Energy: 437.34151137910146
Energy: 432.0997805945244
Energy: 437.34151137910146
Energy: 432.0997805945244
Energy: 437.34151137910146
Energy: 437.2186925304925
Energy: 432.1766301188662
Energy: 437.2186925304925
Energy: 432.1766301188658
Energy: 437.218692530492
Energy: 432.1766301188662
Energy: 434.1702285421443
Energy: 436.81978462098624
Energy: 434.1702285421443
Energy: 436.81978462098624
Energy: 434.17022854214474
Energy: 436.8197846209867
Energy: 435.1875677785625
Energy: 438.1662977468393
Energy: 435.1875677785635
Energy: 438.1662977468393
Energy: 435.18756777856396
Energy: 438.1662977468393
Energy: 438.34953064992294
Energy: 435.6596837208606
Energy: 438.34953064992294
Energy: 435.6596837208606
Energy: 438.3495306499225
Energy: 435.6596837208606
Energy: 436.66404563047746
Energy: 437.89633854899637
Energy: 436.66404563047746
Energy: 437.89633854899637
Energy: 436.66404563047746
Energy: 437.89633854899586
Energy: 435.38519339629926
Energy: 439.49853154976455
Energy: 435.38519339629926
Energy: 439.49853154976455
Energy: 435.38519339629926
Energy: 439.49853154976455
Energy: 438.42856673277674
Energy: 436.5698034618477
Energy: 438.4285667327772
Energy: 436.56980346184673
Energy: 438.4285667327772
Energy: 436.5698034618477
Energy: 437.6058963348495
Energy: 438.4955970751329
Energy: 437.23374137213307
Energy: 438.4955970751329
Energy: 437.23374137213307
Energy: 438.4955970751329
Energy: 435.5329418832724
Energy: 442.66556345358225
Energy: 435.5329418832724
Energy: 442.6655634535818
Energy: 435.5329418832724
Energy: 442.6655634535818
Energy: 439.01184563248125
Energy: 436.9463390588393
Energy: 439.0118456324807
Energy: 436.9463390588398
Energy: 439.01184563248125
Energy: 436.9463390588393
Energy: 437.16313412973614
Energy: 436.5119752708557
Energy: 437.16313412973614
Energy: 436.5119752708557
Energy: 437.16313412973614
Energy: 436.5119752708557
Energy: 434.4375491960779
Energy: 441.19964183816813
Energy: 434.4375491960779
Energy: 441.19964183816813
Energy: 434.4375491960779
Energy: 441.19964183816813
Energy: 438.5046924880799
Energy: 436.80944280622185
Energy: 438.50469248808037
Energy: 436.80944280622236
Energy: 438.5046924880799
Energy: 436.80944280622236

minimum gb energy = 430.4822210081851 eV
minimum distance =  2.35853210688166 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 361.96897899647786
Energy: 361.91635462294414
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 361.96897899647786
Energy: 361.91635462294414
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96210532453676
Energy: 361.9165758040184
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 361.96897899647786
Energy: 361.9163546229459
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016
Energy: 360.8762647171113
Energy: 362.376071248016

minimum gb energy = 360.8762647171113 eV
minimum distance =  2.39386845248982 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 393.04110558057977
Energy: 394.262911910422
Energy: 393.04110558057977
Energy: 394.2629119104215
Energy: 393.04110558057977
Energy: 394.2629119104215
Energy: 396.3487910935028
Energy: 394.1882764688086
Energy: 396.34879109350237
Energy: 394.1882764688071
Energy: 396.3487910935028
Energy: 394.1882764688092
Energy: 397.5636527329193
Energy: 394.1126026688231
Energy: 397.5636527329187
Energy: 394.1126026688231
Energy: 397.5636527329193
Energy: 394.1126026688236
Energy: 394.1092411375324
Energy: 396.22640969332554
Energy: 394.1092411375324
Energy: 396.22640969332605
Energy: 394.1092411375314
Energy: 396.22640969332554
Energy: 398.84935409394683
Energy: 394.14197637690813
Energy: 398.84935409394626
Energy: 394.14197637690813
Energy: 398.84935409394626
Energy: 394.14197637690813
Energy: 396.5674424951022
Energy: 395.24812456617525
Energy: 396.5674424951022
Energy: 395.24812456617525
Energy: 396.56744249510274
Energy: 395.24812456617525
Energy: 396.4469267996703
Energy: 396.4070775724615
Energy: 396.44692679967085
Energy: 396.4070775724615
Energy: 396.44692679966977
Energy: 396.4070775724615
Energy: 398.69005624993224
Energy: 394.63465984389615
Energy: 398.6900562499318
Energy: 394.6346598438967
Energy: 398.6900562499328
Energy: 394.6346598438967
Energy: 396.55343446962667
Energy: 396.65489738173625
Energy: 396.5534344696261
Energy: 396.65489738173676
Energy: 396.5534344696261
Energy: 396.65489738173676
Energy: 396.66584706071177
Energy: 400.9469072852194
Energy: 396.66584706071177
Energy: 400.94690728521994
Energy: 396.66584706071177
Energy: 400.94690728521994
Energy: 398.60802326547827
Energy: 394.86363122598345
Energy: 398.60802326547775
Energy: 394.86363122598345
Energy: 398.60802326547775
Energy: 394.86363122598345
Energy: 396.35567566660643
Energy: 396.4712121833329
Energy: 396.35567566660586
Energy: 396.47121218333336
Energy: 396.35567566660586
Energy: 396.4712121833329
Energy: 394.0823383529791
Energy: 400.77655412330375
Energy: 394.08233835297966
Energy: 400.77655412330375
Energy: 394.0823383529802
Energy: 400.77655412330375
Energy: 398.6282212504851
Energy: 397.0539860422828
Energy: 398.6282212504851
Energy: 397.0539860422828
Energy: 398.62822125048564
Energy: 397.0539860422828
Energy: 396.73920850758486
Energy: 396.57340995124633
Energy: 396.73920850758486
Energy: 396.57340995124525
Energy: 396.7392085075843
Energy: 396.5734099512457
Energy: 394.3259734203602
Energy: 399.67703608560436
Energy: 394.32597342036075
Energy: 399.67703608560436
Energy: 394.3259734203602
Energy: 399.67703608560436
Energy: 396.67162312200657
Energy: 394.4902004416767
Energy: 396.671623122006
Energy: 394.4902004416767
Energy: 396.67162312200657
Energy: 394.4902004416767
Energy: 394.1225212011172
Energy: 395.230748514972
Energy: 394.12252120111776
Energy: 395.230748514972
Energy: 394.12252120111776
Energy: 395.230748514972
Energy: 394.2829964901845
Energy: 397.9187464440527
Energy: 394.282996490185
Energy: 397.9187464440527
Energy: 394.28299649018396
Energy: 397.9187464440527
Energy: 396.45440178799197
Energy: 392.26868629890623
Energy: 396.45440178799197
Energy: 392.26868629890674
Energy: 396.45440178799197
Energy: 392.2686862989073
Energy: 391.88920380570454
Energy: 395.3284467283965
Energy: 391.88920380570505
Energy: 395.3284467283954
Energy: 391.88920380570505
Energy: 395.3284467283944
Energy: 392.13897056367585
Energy: 396.91859206797744
Energy: 392.1389705636754
Energy: 396.91859206797795
Energy: 392.13897056367585
Energy: 396.91859206797744
Energy: 396.3608711587811
Energy: 392.09083621380984
Energy: 396.3608711587811
Energy: 392.0908362138114
Energy: 396.3608711587811
Energy: 392.09083621381086
Energy: 395.23388645748247
Energy: 395.8782630126283
Energy: 395.23388645748304
Energy: 395.8782630126283
Energy: 395.23388645748247
Energy: 395.8782630126283
Energy: 393.9203232184784
Energy: 396.568248068518
Energy: 393.9203232184784
Energy: 396.5682480685191
Energy: 393.9203232184784
Energy: 396.5682480685191
Energy: 398.4915495144356
Energy: 394.28733308855567
Energy: 398.49154951443614
Energy: 394.28733308855567
Energy: 398.49154951443614
Energy: 394.28733308855624
Energy: 395.1496091749393
Energy: 396.3966148171724
Energy: 395.1496091749393
Energy: 396.3966148171724
Energy: 395.1496091749383
Energy: 396.396614817173
Energy: 396.5496557573573
Energy: 397.76169134606386
Energy: 396.54965575735673
Energy: 397.76169134606386
Energy: 396.54965575735673
Energy: 397.76169134606386
Energy: 400.48530890550813
Energy: 393.9553598941736
Energy: 400.48530890550813
Energy: 393.95535989417573
Energy: 400.4853089055087
Energy: 393.95535989417414
Energy: 395.9710839063203
Energy: 396.4364219369885
Energy: 395.9710839063203
Energy: 396.436421936988
Energy: 395.97108390632087
Energy: 396.436421936988
Energy: 398.7493947640377
Energy: 396.31280597236724
Energy: 398.74939476403824
Energy: 396.31280597236724
Energy: 398.7493947640377
Energy: 396.31280597236724
Energy: 400.96250519511125
Energy: 395.1431183503591
Energy: 400.9625051951119
Energy: 395.14311835035954
Energy: 400.9625051951119
Energy: 395.14311835035954
Energy: 399.15593399492036
Energy: 396.48158014669923
Energy: 399.15593399492036
Energy: 396.48158014669815
Energy: 399.15593399492036
Energy: 396.4815801466987

minimum gb energy = 391.88920380570454 eV
minimum distance =  2.40611544394375 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 553.3276340397512
Energy: 559.4839778716026
Energy: 553.3276340397512
Energy: 559.4839778716026
Energy: 553.3276340397505
Energy: 559.4839778716026
Energy: 559.415955517384
Energy: 555.8015165358992
Energy: 559.415955517384
Energy: 555.8015165359
Energy: 559.415955517384
Energy: 555.8015165358992
Energy: 559.2455285948548
Energy: 556.1281262026474
Energy: 559.2455285948548
Energy: 556.1281262026466
Energy: 559.2455285948542
Energy: 556.1281262026474
Energy: 556.0624003393988
Energy: 562.33244938435
Energy: 556.0624003393988
Energy: 562.33244938435
Energy: 556.0624003393988
Energy: 562.33244938435
Energy: 562.2650913550345
Energy: 558.9034861996827
Energy: 562.2650913550339
Energy: 558.9034861996827
Energy: 562.2650913550345
Energy: 558.9034861996827
Energy: 559.053841451926
Energy: 559.3288624080584
Energy: 559.0538414519268
Energy: 559.3288624080591
Energy: 559.053841451926
Energy: 559.3288624080591
Energy: 557.3969126226474
Energy: 562.3522502685466
Energy: 557.3969126226482
Energy: 562.3522502685466
Energy: 557.3969126226474
Energy: 562.3522502685466
Energy: 559.023181773678
Energy: 559.5402586981136
Energy: 559.023181773678
Energy: 559.5402586981136
Energy: 559.023181773678
Energy: 559.5402586981136
Energy: 559.0157964111926
Energy: 559.1936482252555
Energy: 559.0157964111926
Energy: 559.1936482252555
Energy: 559.0157964111934
Energy: 559.1936482252563
Energy: 558.948166979727
Energy: 562.1522527341828
Energy: 558.9481669797225
Energy: 562.1522527341828
Energy: 558.9481669797248
Energy: 562.1522527341828
Energy: 558.9995390814253
Energy: 559.2675920314941
Energy: 558.9995390814253
Energy: 559.2675920314948
Energy: 558.9995390814261
Energy: 559.2675920314941
Energy: 559.0319909324205
Energy: 557.5912618031385
Energy: 559.0319909324197
Energy: 557.5912618031385
Energy: 559.0319909324197
Energy: 557.5912618031385
Energy: 559.0748617108732
Energy: 560.7179172561256
Energy: 559.0748617108746
Energy: 560.7179172561256
Energy: 559.0748617108732
Energy: 560.7179172561256
Energy: 558.9272893899937
Energy: 556.0394744242511
Energy: 558.927289389993
Energy: 556.0394744242479
Energy: 558.9272893899937
Energy: 556.0394744242511
Energy: 556.2571106539934
Energy: 557.7570821584934
Energy: 556.2571106539934
Energy: 557.7570821584934
Energy: 556.2571106539942
Energy: 557.7570821584934
Energy: 556.6482704094644
Energy: 559.1631616441786
Energy: 556.6482704094652
Energy: 559.1631616441786
Energy: 556.6482704094652
Energy: 559.1631616441786
Energy: 558.9162430499955
Energy: 556.0731187930566
Energy: 558.9162430499955
Energy: 556.0731187930566
Energy: 558.9162430499955
Energy: 556.0731187930566
Energy: 554.4940019675432
Energy: 559.0180776965001
Energy: 554.4940019675432
Energy: 559.0180776964992
Energy: 554.4940019675439
Energy: 559.0180776965001
Energy: 559.1898246392328
Energy: 559.3000922498753
Energy: 559.1898246392328
Energy: 559.3000922498753
Energy: 559.1898246392328
Energy: 559.3000922498745
Energy: 560.574618554388
Energy: 555.8409952188366
Energy: 560.574618554388
Energy: 555.8409952188366
Energy: 560.5746185543888
Energy: 555.8409952188366
Energy: 557.6511705668942
Energy: 562.420074045451
Energy: 557.6511705668935
Energy: 562.420074045451
Energy: 557.6511705668942
Energy: 562.420074045451
Energy: 559.5889947236843
Energy: 559.3668601909316
Energy: 559.5889947236843
Energy: 559.3668601909316
Energy: 559.5889947236843
Energy: 559.3668601909316
Energy: 565.6394620790245
Energy: 555.8141410860658
Energy: 565.6394620790245
Energy: 555.814141086068
Energy: 565.6394620790253
Energy: 555.814141086065

minimum gb energy = 553.3276340397505 eV
minimum distance =  2.40492075859376 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 433.72419026707234
Energy: 437.27213600496367
Energy: 434.15860695787046
Energy: 437.2721360049632
Energy: 433.7241902670719
Energy: 437.2721360049632
Energy: 437.67661453052943
Energy: 437.5903103310076
Energy: 437.67661453052835
Energy: 437.5903103310129
Energy: 437.67661453052943
Energy: 437.5903103309951
Energy: 438.07813984005753
Energy: 437.67116045818835
Energy: 438.07813984005753
Energy: 437.67116045818835
Energy: 438.0781398400571
Energy: 437.6711604581879
Energy: 437.8743192235288
Energy: 441.233022316597
Energy: 437.87431922352926
Energy: 441.233022316597
Energy: 437.87431922352926
Energy: 441.233022316597
Energy: 441.58269896880597
Energy: 437.8237251060959
Energy: 441.58269896880597
Energy: 437.8237251060959
Energy: 441.58269896880546
Energy: 437.8237251060959
Energy: 438.70352280821476
Energy: 440.59316266980716
Energy: 438.70352280821476
Energy: 441.0656403418463
Energy: 438.70352280821527
Energy: 441.0656403418459
Energy: 438.3514417823046
Energy: 441.7279394306086
Energy: 438.3514417823051
Energy: 441.72793943060907
Energy: 438.3514417823046
Energy: 441.7279394306086
Energy: 441.5428519372276
Energy: 441.86810589221756
Energy: 441.542851937217
Energy: 441.86810589221756
Energy: 441.5428519372247
Energy: 441.86810589221756
Energy: 441.79871591886393
Energy: 440.31482916341184
Energy: 441.7987158725666
Energy: 440.31482916341184
Energy: 441.79871591886393
Energy: 440.31482916341184
Energy: 434.43811191901233
Energy: 442.4852986453066
Energy: 434.43811191901233
Energy: 442.4852986453061
Energy: 434.43811191901233
Energy: 442.48529864530565
Energy: 440.886137500056
Energy: 437.8406512846498
Energy: 440.8861494519962
Energy: 437.8406512846498
Energy: 440.886137500056
Energy: 437.84065128465033
Energy: 437.7582496136156
Energy: 439.9640238582642
Energy: 437.758249613616
Energy: 439.9640238582642
Energy: 437.7582496136156
Energy: 439.9640238582642
Energy: 433.7946610648861
Energy: 437.29938272349375
Energy: 433.7946610648871
Energy: 437.2993827234947
Energy: 433.79466106488564
Energy: 437.29938272349375
Energy: 440.8099901363354
Energy: 437.96807684878075
Energy: 440.8099901363354
Energy: 437.96807684878075
Energy: 440.80999013633004
Energy: 437.9680768487812
Energy: 436.08279141341046
Energy: 437.69337337029935
Energy: 436.082791413411
Energy: 437.69337337029935
Energy: 436.08279141341046
Energy: 437.6933733702988
Energy: 438.08447941608597
Energy: 437.86413452475455
Energy: 438.0844794160854
Energy: 437.864134524754
Energy: 438.0844794160854
Energy: 437.86413452475455
Energy: 443.57566815998143
Energy: 438.0417726460025
Energy: 443.57566815998143
Energy: 438.04177264600446
Energy: 443.575668159981
Energy: 438.041772646003
Energy: 436.2455853351366
Energy: 437.4422881321573
Energy: 436.2455853351366
Energy: 437.4422881321573
Energy: 436.2455853351361
Energy: 437.4422881321573
Energy: 437.7201291837414
Energy: 437.753753120747
Energy: 437.7201291837414
Energy: 437.75375312074755
Energy: 437.7201291837414
Energy: 437.75375312074755
Energy: 441.47260027798666
Energy: 437.75821793927173
Energy: 441.47260027798666
Energy: 437.75821793927173
Energy: 441.47260027798666
Energy: 437.75821793927224
Energy: 437.73146470206206
Energy: 438.2022732305369
Energy: 437.7346001197468
Energy: 438.20227323053746
Energy: 437.73146470206206
Energy: 438.2022732305369
Energy: 435.97830600647586
Energy: 441.51744778752595
Energy: 435.97830600647643
Energy: 441.51744778752595
Energy: 435.97830600647643
Energy: 441.51744778752595
Energy: 441.1797710703651
Energy: 438.0303620208841
Energy: 440.95712728179996
Energy: 438.0303620208841
Energy: 441.1797710703662
Energy: 438.0303620208841
Energy: 434.22498154409425
Energy: 439.56349620091635
Energy: 433.7065603961879
Energy: 439.5634962009168
Energy: 434.22498154409425
Energy: 439.56349620091635
Energy: 437.54577082068937
Energy: 439.6928128527208
Energy: 437.80511575487645
Energy: 439.69281285272035
Energy: 437.5457708206888
Energy: 439.69281285272035
Energy: 441.3278418338521
Energy: 437.5435628700489
Energy: 441.3278418338521
Energy: 437.54356287004856
Energy: 441.3278418338521
Energy: 437.54356287004856
Energy: 437.868504379374
Energy: 441.29720170326436
Energy: 437.868504379374
Energy: 441.29720170326436
Energy: 437.868504379374
Energy: 441.29720170326436
Energy: 437.62269901678076
Energy: 442.9095898266173
Energy: 437.62269901678076
Energy: 442.90958982661687
Energy: 437.62269901678116
Energy: 442.9095898266173
Energy: 441.9079256723263
Energy: 438.04577982254966
Energy: 441.9079256723263
Energy: 438.0457798225501
Energy: 441.9079256723268
Energy: 438.04577982255057
Energy: 437.71018312020766
Energy: 441.4262783767502
Energy: 437.71018312020766
Energy: 441.42627837675104
Energy: 437.7101831202071
Energy: 441.42627837675064
Energy: 438.20017253466693
Energy: 438.35248329997125
Energy: 438.20017253466693
Energy: 438.35248329997086
Energy: 438.20017253466654
Energy: 438.35248329997086
Energy: 441.52924861585893
Energy: 437.82672413891993
Energy: 441.5292506162141
Energy: 437.82672413891993
Energy: 441.52924861585893
Energy: 437.82672413891993
Energy: 437.8516953576802
Energy: 437.5964681069919
Energy: 437.83641460017805
Energy: 437.5964681069919
Energy: 437.8516953576802
Energy: 437.59646810699235
Energy: 435.6041376611321
Energy: 437.37543544377644
Energy: 435.6041376611316
Energy: 437.37543544377644
Energy: 435.6041376611321
Energy: 437.37543544377644
Energy: 439.9907908710317
Energy: 437.75909693621276
Energy: 439.9907908710317
Energy: 437.75909693621276
Energy: 439.9907908710317
Energy: 437.75909693621276
Energy: 434.089882560886
Energy: 437.0827659151978
Energy: 434.08988256088554
Energy: 437.08276591519837
Energy: 434.08988256088554
Energy: 437.0827659151973
Energy: 437.8535974123034
Energy: 435.2608400487826
Energy: 437.8535974123038
Energy: 435.26084004878226
Energy: 437.8535974123029
Energy: 435.26084004878226

minimum gb energy = 433.7065603961879 eV
minimum distance =  2.30336910749682 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 479.51654181168107
Energy: 484.3533762569362
Energy: 479.51654181168107
Energy: 484.3533762569362
Energy: 479.51654181168107
Energy: 484.3533762569362
Energy: 484.79197876554593
Energy: 484.79454163102133
Energy: 484.7919787655446
Energy: 484.79454163102133
Energy: 484.7919787655446
Energy: 484.79454163102133
Energy: 483.41317392761664
Energy: 484.62811160516185
Energy: 482.2035506147009
Energy: 484.62811160516185
Energy: 482.2035506147009
Energy: 484.62811160516185
Energy: 479.26313605628894
Energy: 484.35276505425475
Energy: 479.26313605628894
Energy: 484.35276505425475
Energy: 479.26313605628894
Energy: 484.35276505425475
Energy: 484.62971715263603
Energy: 484.9245151466671
Energy: 484.62971715263603
Energy: 484.9245151466644
Energy: 484.62971715263603
Energy: 484.9245151466579
Energy: 479.3427855925725
Energy: 482.4518755819523
Energy: 479.34278559257126
Energy: 482.4518755819511
Energy: 479.34278559257126
Energy: 482.4518755819523
Energy: 479.6724115910288
Energy: 487.0135586979811
Energy: 479.6724115910184
Energy: 487.0135586979811
Energy: 479.67241159101957
Energy: 487.0135586979811
Energy: 479.1488830971071
Energy: 485.2210544862331
Energy: 479.1488830971071
Energy: 485.2210544862343
Energy: 479.1488830971071
Energy: 485.2210544862343
Energy: 484.468744959243
Energy: 481.6200538782012
Energy: 484.468744959243
Energy: 481.6200538781998
Energy: 484.468744959243
Energy: 481.6200538782012
Energy: 479.3331562370299
Energy: 484.0824674842673
Energy: 479.3331562370299
Energy: 484.0824674842673
Energy: 479.3331562370299
Energy: 484.0824674842673
Energy: 484.6109446002547
Energy: 485.16774602408566
Energy: 484.6109446002547
Energy: 485.1677460240869
Energy: 484.6109446002547
Energy: 485.16774602408566
Energy: 481.98768304527965
Energy: 484.39946028210665
Energy: 481.98768304527965
Energy: 484.39946028210665
Energy: 481.98768304527965
Energy: 484.39946028210665
Energy: 484.6256659996892
Energy: 484.5917539292403
Energy: 484.6256659996879
Energy: 484.5917539292403
Energy: 484.6256659996892
Energy: 484.5917539292403
Energy: 484.23119813609696
Energy: 484.7702323610172
Energy: 484.23119813609696
Energy: 484.7702323610172
Energy: 484.23119813609696
Energy: 484.77023236101854

minimum gb energy = 479.1488830971071 eV
minimum distance =  2.30768841403957 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 360.48628165349743
Energy: 364.84968595807004
Energy: 360.48628165349686
Energy: 364.84968595807004
Energy: 360.48628165349743
Energy: 364.8496859580694
Energy: 363.54973047373346
Energy: 365.25870239447477
Energy: 363.54973047373346
Energy: 365.25870239447477
Energy: 363.54973047373346
Energy: 365.25870239447477
Energy: 366.2845285645979
Energy: 365.3094810672888
Energy: 366.2845285645973
Energy: 365.3094810672888
Energy: 366.2845285645973
Energy: 365.3094810672888
Energy: 362.52291637375095
Energy: 369.3974218735839
Energy: 362.52291637375095
Energy: 369.3974218735839
Energy: 362.52291637375095
Energy: 369.3974218735844
Energy: 364.9080426087767
Energy: 367.53368847145356
Energy: 364.9080426087767
Energy: 367.53368847145356
Energy: 364.90804260877724
Energy: 367.53368847145356
Energy: 364.94993380453445
Energy: 365.2789555678941
Energy: 364.9499338045367
Energy: 365.2789555678941
Energy: 364.94993380453445
Energy: 365.27895556789355
Energy: 362.813753498822
Energy: 366.8468887654667
Energy: 362.8137534988214
Energy: 366.8468887654667
Energy: 362.813753498822
Energy: 366.8468887654662
Energy: 365.0111928993061
Energy: 362.6265444663241
Energy: 365.0111928993072
Energy: 362.6265444663241
Energy: 365.0111928993061
Energy: 362.62654446632473
Energy: 362.816529306247
Energy: 362.59352060841627
Energy: 362.816529306247
Energy: 362.5935206084157
Energy: 362.816529306247
Energy: 362.5935206084157
Energy: 365.1015223644314
Energy: 366.9771544448169
Energy: 365.10152236443196
Energy: 366.9771544448163
Energy: 365.10152236443196
Energy: 366.9771544448169
Energy: 366.0484732688753
Energy: 365.0198771890717
Energy: 366.0484732688748
Energy: 365.0198771890717
Energy: 366.0484732688753
Energy: 365.0198771890717
Energy: 365.01521180057
Energy: 366.593394548861
Energy: 365.01521180057
Energy: 366.593394548861
Energy: 365.01521180057
Energy: 366.593394548861
Energy: 362.65662106988833
Energy: 366.9524342397089
Energy: 362.65662106988896
Energy: 366.9524342397101
Energy: 362.65662106988896
Energy: 366.95243423970953
Energy: 364.6278200663901
Energy: 362.7556287836766
Energy: 364.62782006639065
Energy: 362.7556287836766
Energy: 364.62782006639065
Energy: 362.7556287836766
Energy: 363.62997956188923
Energy: 361.05774532270317
Energy: 363.6299795618904
Energy: 361.05774532270266
Energy: 363.6299795618904
Energy: 361.05774532270266
Energy: 362.7828733081645
Energy: 367.1341068733361
Energy: 362.7828733081645
Energy: 367.1341068733367
Energy: 362.7828733081645
Energy: 367.1341068733367
Energy: 365.83868701459403
Energy: 365.28126135036905
Energy: 365.8386870145946
Energy: 365.28126135036905
Energy: 365.8386870145946
Energy: 365.28126135036905
Energy: 365.2462060367204
Energy: 365.333414623665
Energy: 365.2462060367204
Energy: 365.3334146236655
Energy: 365.24620603671985
Energy: 365.33341462366434
Energy: 364.92705786721496
Energy: 368.32322238163164
Energy: 364.92705786721496
Energy: 368.32322238163164
Energy: 364.92705786721496
Energy: 368.32322238163164
Energy: 364.6877817873891
Energy: 365.0094768380539
Energy: 364.6877817873903
Energy: 365.0094768380539
Energy: 364.6877817873897
Energy: 365.0094768380539
Energy: 362.4737158182753
Energy: 363.89054669046544
Energy: 362.4737158182753
Energy: 363.89054669046544
Energy: 362.4737158182759
Energy: 363.89054669046544
Energy: 360.4493424741648
Energy: 364.79525869402204
Energy: 360.44934247416415
Energy: 364.79525869402147
Energy: 360.4493424741648
Energy: 364.79525869402147
Energy: 365.8476581711533
Energy: 365.1960061304646
Energy: 365.8476581711533
Energy: 365.196006130464
Energy: 365.8476581711533
Energy: 365.196006130464
Energy: 364.1771262227067
Energy: 365.162830700549
Energy: 364.1771262227062
Energy: 365.162830700549
Energy: 364.1771262227027
Energy: 365.162830700549
Energy: 365.26382358157093
Energy: 367.17321088149
Energy: 365.26382358157093
Energy: 367.17321088149055
Energy: 365.26382358157093
Energy: 367.17321088149055
Energy: 366.8147018432461
Energy: 365.06215785581384
Energy: 366.8147018432456
Energy: 365.06215785581384
Energy: 366.8147018432461
Energy: 365.06215785581384
Energy: 365.16422898169725
Energy: 363.8963877797686
Energy: 365.1642289816979
Energy: 363.8963877797681
Energy: 365.1642289816979
Energy: 363.8963877797686
Energy: 362.5204574418429
Energy: 363.5135850162845
Energy: 362.5204574418429
Energy: 363.5135850162845
Energy: 362.5204574418429
Energy: 363.5135850162851
Energy: 364.658187472494
Energy: 362.9588128873204
Energy: 364.6581874724946
Energy: 362.958812887325
Energy: 364.6581874724946
Energy: 362.95881288732386
Energy: 362.2676375522187
Energy: 364.83792883237913
Energy: 362.2676375522198
Energy: 364.8379288323785
Energy: 362.2676375522198
Energy: 364.83792883237965
Energy: 365.28178410082376
Energy: 365.09733513562895
Energy: 365.28178410082376
Energy: 365.0973351356283
Energy: 365.28178410082376
Energy: 365.0973351356283

minimum gb energy = 360.44934247416415 eV
minimum distance =  2.29374679315981 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 409.09223917006494
Energy: 409.010129763904
Energy: 409.09223917006494
Energy: 409.010129763904
Energy: 409.0922391700639
Energy: 409.010129763904
Energy: 409.2416105319234
Energy: 418.378095490907
Energy: 409.2416105319245
Energy: 418.378095490907
Energy: 409.2416105319245
Energy: 418.378095490907
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.73837840574157
Energy: 420.42798727035614
Energy: 409.73837840574265
Energy: 414.36554517546995
Energy: 409.7383784057406
Energy: 415.8060995893868
Energy: 409.306529364099
Energy: 418.2809525886236
Energy: 409.30652936409797
Energy: 418.2809525886236
Energy: 409.306529364099
Energy: 418.2809525886236
Energy: 409.16746540834686
Energy: 415.010610932527
Energy: 409.16746540834583
Energy: 413.60371864598056
Energy: 409.16746540834583
Energy: 413.60371864598056
Energy: 409.09223917006494
Energy: 409.010129763904
Energy: 409.0922391700639
Energy: 409.010129763904
Energy: 409.0922391700639
Energy: 409.010129763904
Energy: 409.2416105319245
Energy: 418.378095490907
Energy: 409.2416105319245
Energy: 418.37809549090605
Energy: 409.2416105319245
Energy: 418.378095490907
Energy: 409.7592258717199
Energy: 419.2099935258695
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.7592258717199
Energy: 419.2099935258695
Energy: 409.73837840574157
Energy: 418.62321354687333
Energy: 409.73837840574157
Energy: 414.365545175469
Energy: 409.73837840574265
Energy: 415.8060995893868
Energy: 409.306529364099
Energy: 418.2809525886246
Energy: 409.306529364099
Energy: 418.2809525886246
Energy: 409.306529364099
Energy: 418.2809525886236
Energy: 409.1674654083448
Energy: 413.60371864598056
Energy: 409.16746540834686
Energy: 413.6037186459816
Energy: 409.1674654083448
Energy: 413.6037186459816
Energy: 409.0922391700639
Energy: 409.010129763904
Energy: 409.09223917006494
Energy: 409.010129763904
Energy: 409.09223917006494
Energy: 409.010129763904
Energy: 409.2416105319245
Energy: 418.37809549090605
Energy: 409.2416105319245
Energy: 418.37809549090605
Energy: 409.2416105319234
Energy: 418.37809549090605
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.7592258717199
Energy: 419.2099935258706
Energy: 409.7383784057436
Energy: 418.62321354909676
Energy: 409.7383784057436
Energy: 418.6232135493758
Energy: 409.7383784057436
Energy: 418.3706029656724
Energy: 409.306529364099
Energy: 418.2809525886236
Energy: 409.306529364099
Energy: 418.2809525886246
Energy: 409.306529364099
Energy: 418.2809525886246

minimum gb energy = 409.010129763904 eV
minimum distance =  2.2783150381227 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 501.4947964677616
Energy: 504.48591333940465
Energy: 501.4947964677625
Energy: 504.4859133394039
Energy: 501.4947964677616
Energy: 504.4859133394056
Energy: 502.9262547764597
Energy: 504.86181819604
Energy: 502.9262547764605
Energy: 504.86181819604
Energy: 502.9262547764605
Energy: 504.86181819604
Energy: 506.2300333799605
Energy: 504.9988062135355
Energy: 506.1995719014017
Energy: 504.9988062135363
Energy: 505.4309931095345
Energy: 504.9988062135355
Energy: 504.7935285471911
Energy: 507.845883697721
Energy: 504.7935285471911
Energy: 507.845883697721
Energy: 504.7935285471911
Energy: 507.845883697721
Energy: 503.02100139118494
Energy: 505.035834587614
Energy: 503.0210013911856
Energy: 505.035834587614
Energy: 503.0210013911856
Energy: 505.0358345876148
Energy: 504.5944800951041
Energy: 501.2595560260156
Energy: 504.59448009510504
Energy: 501.2595560260156
Energy: 504.59448009510504
Energy: 501.25955602601465
Energy: 504.8371513178982
Energy: 505.9187902110108
Energy: 504.8371513178982
Energy: 505.9187902110108
Energy: 504.8371513178982
Energy: 505.9187902110117
Energy: 505.00315007108134
Energy: 503.2858670608871
Energy: 505.00315007108134
Energy: 503.28586706088794
Energy: 505.00315007108134
Energy: 503.28586706088794
Energy: 504.550564854158
Energy: 505.0570877261769
Energy: 504.550564854158
Energy: 505.0570877261769
Energy: 504.550564854158
Energy: 505.0570877261777
Energy: 504.8365229680435
Energy: 504.4102522732768
Energy: 504.8365229680435
Energy: 504.41025227327754
Energy: 504.83652296804274
Energy: 504.4102522732785
Energy: 504.5805179715257
Energy: 502.89479337948825
Energy: 504.5805179715248
Energy: 502.89479337948825
Energy: 504.5805179715257
Energy: 502.89479337948825
Energy: 504.018588132739
Energy: 501.337877094236
Energy: 504.018588132739
Energy: 501.3378770942368
Energy: 504.0185881327399
Energy: 501.3378770942368
Energy: 504.86558331400227
Energy: 506.8178641609109
Energy: 504.86558331400397
Energy: 506.8178641609109
Energy: 504.86558331400227
Energy: 506.8178641609109
Energy: 504.87383748964186
Energy: 504.7870546010732
Energy: 504.87383748964186
Energy: 504.7870546010732
Energy: 504.87383748964186
Energy: 504.7870546010732
Energy: 507.82860412620266
Energy: 501.3060373822727
Energy: 507.82860412620266
Energy: 501.306037382272
Energy: 507.82860412620266
Energy: 501.306037382272
Energy: 501.5074350468277
Energy: 502.78759588206424
Energy: 501.5074350468277
Energy: 502.78759588206424
Energy: 501.50743504682856
Energy: 502.78759588206344
Energy: 501.19424126024535
Energy: 503.14105874583305
Energy: 501.1942412602444
Energy: 503.14105874583305
Energy: 501.19424126024535
Energy: 503.14105874583305
Energy: 507.8775314280493
Energy: 501.1883895191673
Energy: 507.8775314280501
Energy: 501.1883895191665
Energy: 507.8775314280501
Energy: 501.1883895191665
Energy: 506.60261304322387
Energy: 504.7922995340465
Energy: 506.60261304322387
Energy: 504.7922995340465
Energy: 506.60261304322387
Energy: 504.7922995340465
Energy: 503.27869547955396
Energy: 504.64525728762
Energy: 503.27869547955396
Energy: 504.64525728762163
Energy: 503.2786954795547
Energy: 504.64525728762095
Energy: 503.79732833464163
Energy: 501.72820254082177
Energy: 503.79732833464163
Energy: 501.72820254082177
Energy: 503.79732833465675
Energy: 501.72820254082177

minimum gb energy = 501.1883895191665 eV
minimum distance =  2.31714025782322 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 442.669812107168
Energy: 454.029841028169
Energy: 442.669812107168
Energy: 454.029841028169
Energy: 442.669812107168
Energy: 454.029841028169
Energy: 447.87869600099475
Energy: 443.37027028415423
Energy: 447.87869600099475
Energy: 443.37027028415423
Energy: 447.87869600099475
Energy: 443.37027028415355
Energy: 443.0941827152966
Energy: 454.3056523283815
Energy: 443.094182715296
Energy: 454.3056523283815
Energy: 443.0941827152966
Energy: 454.3056523283815
Energy: 443.89819038564667
Energy: 443.1931712185905
Energy: 443.8981903856473
Energy: 443.19317121858984
Energy: 443.8981903856473
Energy: 443.1931712185905
Energy: 443.7916113415801
Energy: 455.6028679335814
Energy: 443.7916113415808
Energy: 455.6028679335814
Energy: 443.7916113415801
Energy: 455.6028679335814
Energy: 455.65600114465207
Energy: 443.82322663861646
Energy: 455.6560011446514
Energy: 443.82322663861646
Energy: 455.65600114465207
Energy: 443.823226638615
Energy: 443.81618640003614
Energy: 447.7423842255211
Energy: 443.8161864000355
Energy: 447.7423842255211
Energy: 443.81618640003614
Energy: 447.7423842255211
Energy: 443.76839053519416
Energy: 443.79217172519446
Energy: 443.76839053519416
Energy: 443.79217172519446
Energy: 443.76839053519416
Energy: 443.79217172519446
Energy: 450.3892735651578
Energy: 443.9551732256028
Energy: 450.3892735651578
Energy: 443.9551732256028
Energy: 450.3892735651578
Energy: 443.9551732256035
Energy: 443.8922979746991
Energy: 451.03226458979725
Energy: 443.8922979746991
Energy: 451.0322645897987
Energy: 443.8922979746991
Energy: 451.032264589798
Energy: 443.81402175219176
Energy: 448.03087252041297
Energy: 443.814021752191
Energy: 448.03087252041297
Energy: 443.814021752191
Energy: 448.03087252041297
Energy: 447.648800300182
Energy: 443.83760402334303
Energy: 447.648800300182
Energy: 443.8376040233437
Energy: 447.648800300182
Energy: 443.8376040233437
Energy: 443.5886299861983
Energy: 443.7900697437568
Energy: 443.58862998619895
Energy: 443.7900697437568
Energy: 443.5886299861976
Energy: 443.79006974375744
Energy: 443.5542610286517
Energy: 450.3541918363221
Energy: 443.55426102865243
Energy: 450.3541918363221
Energy: 443.5542610286517
Energy: 450.3541918363221
Energy: 454.4868432765282
Energy: 443.71066794026666
Energy: 454.4868432765282
Energy: 443.71066794026666
Energy: 454.4868432765282
Energy: 443.71066794026666
Energy: 443.31494316721495
Energy: 455.6425220447318
Energy: 443.31494316721495
Energy: 455.6425220447318
Energy: 443.31494316721495
Energy: 455.6425220447318
Energy: 443.6806092898241
Energy: 442.992952534471
Energy: 443.6806092898241
Energy: 442.992952534471
Energy: 443.68060928982476
Energy: 442.99295253447167
Energy: 443.4288137974533
Energy: 454.45610792216024
Energy: 443.42881379745404
Energy: 454.456107922161
Energy: 443.4288137974533
Energy: 454.456107922161
Energy: 449.1628380690563
Energy: 443.66154701695905
Energy: 449.1628380690569
Energy: 443.6615470169583
Energy: 449.1628380690563
Energy: 443.66154701695905
Energy: 442.669812107168
Energy: 454.029841028169
Energy: 442.6698121071674
Energy: 454.029841028169
Energy: 442.6698121071674
Energy: 454.029841028169
Energy: 447.8786960009942
Energy: 443.3702702841528
Energy: 447.8786960009942
Energy: 443.3702702841528
Energy: 447.8786960009942
Energy: 443.37027028415355
Energy: 443.0941827152966
Energy: 454.30565232838075
Energy: 443.094182715296
Energy: 454.3056523283815
Energy: 443.0941827152966
Energy: 454.30565232838075
Energy: 443.89819038564667
Energy: 443.1931712185905
Energy: 443.8981903856473
Energy: 443.19317121858984
Energy: 443.8981903856473
Energy: 443.19317121858984
Energy: 443.7916113415808
Energy: 455.6028679335814
Energy: 443.7916113415808
Energy: 455.6028679335821
Energy: 443.7916113415808
Energy: 455.6028679335821
Energy: 455.6560011446514
Energy: 443.8232266386157
Energy: 455.6560011446514
Energy: 443.82322663861646
Energy: 455.6560011446514
Energy: 443.8232266386157

minimum gb energy = 442.6698121071674 eV
minimum distance =  2.34500590537918 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 339.4886249690933
Energy: 344.04481831937034
Energy: 339.4886249690933
Energy: 344.04481831937034
Energy: 339.48862496909265
Energy: 344.04481831937096
Energy: 342.8664676717762
Energy: 346.12545466742523
Energy: 342.86646767177564
Energy: 346.12545466742523
Energy: 342.86646767177564
Energy: 346.12545466742523
Energy: 345.2985838250731
Energy: 344.7172444403991
Energy: 345.2985838250731
Energy: 344.7172444403997
Energy: 345.2985838250731
Energy: 344.7172444403991
Energy: 344.55400710528363
Energy: 346.5322355179625
Energy: 344.55400710528295
Energy: 346.5322355179625
Energy: 344.55400710528295
Energy: 346.5322355179625
Energy: 344.9501401125323
Energy: 342.0053111477341
Energy: 344.95014011253164
Energy: 342.0053111477341
Energy: 344.9501401125323
Energy: 342.0053111477341
Energy: 344.1755684069028
Energy: 342.2741466340796
Energy: 344.1755684069028
Energy: 342.2741466340796
Energy: 344.1755684069028
Energy: 342.2741466340796
Energy: 345.948378620946
Energy: 344.2843533087755
Energy: 345.9483786209465
Energy: 344.2843533087755
Energy: 345.9483786209465
Energy: 344.2843533087749
Energy: 346.108885117246
Energy: 344.2104385849855
Energy: 346.108885117246
Energy: 344.2104385849855
Energy: 346.108885117246
Energy: 344.210438584985
Energy: 346.38014936887447
Energy: 344.55687170628835
Energy: 346.38014936887447
Energy: 344.55687170628835
Energy: 346.38014936887447
Energy: 344.55687170628835
Energy: 343.54579723657196
Energy: 343.0541320927499
Energy: 343.54579723657196
Energy: 343.0541320927499
Energy: 343.54579723657264
Energy: 343.0541320927499
Energy: 344.5905724787533
Energy: 344.1751827071774
Energy: 344.5905724787533
Energy: 344.1751827071774
Energy: 344.5905724787533
Energy: 344.1751827071774
Energy: 344.49138512855524
Energy: 344.6374524585271
Energy: 344.4913851285558
Energy: 344.6374524585277
Energy: 344.4913851285558
Energy: 344.6374524585271
Energy: 344.5913555872906
Energy: 343.493286454769
Energy: 344.5913555872899
Energy: 343.493286454769
Energy: 344.5913555872906
Energy: 343.493286454769
Energy: 342.2579870881892
Energy: 346.2548580132514
Energy: 342.2579870881892
Energy: 346.2548580132514
Energy: 342.2579870881886
Energy: 346.2548580132514
Energy: 341.945113642364
Energy: 344.82145730426623
Energy: 341.945113642364
Energy: 344.82145730426623
Energy: 341.945113642364
Energy: 344.82145730426623
Energy: 346.51225291292116
Energy: 344.68600127377965
Energy: 346.5122529129217
Energy: 344.68600127377965
Energy: 346.5122529129217
Energy: 344.68600127377965
Energy: 344.6621936731231
Energy: 346.5094939716619
Energy: 344.6621936731231
Energy: 346.5094939716619
Energy: 344.6621936731231
Energy: 346.50949397166136
Energy: 343.3579794214094
Energy: 344.8745782638461
Energy: 343.35797942141005
Energy: 344.87457826384554
Energy: 343.3579794214094
Energy: 344.8745782638461
Energy: 345.87489090933656
Energy: 342.2749641904212
Energy: 345.8748909093371
Energy: 342.2749641904212
Energy: 345.08475153408466
Energy: 342.2749641904212
Energy: 344.62294905487124
Energy: 342.9221129039173
Energy: 344.6229490548706
Energy: 342.9221129039166
Energy: 344.62294905487124
Energy: 342.9221129039166
Energy: 347.2886527322301
Energy: 344.80151881731734
Energy: 347.2886527322294
Energy: 344.80151881731734
Energy: 347.2886527322301
Energy: 344.80151881731734
Energy: 346.18602895754947
Energy: 344.61582092305844
Energy: 346.18602895754947
Energy: 344.61582092305844
Energy: 346.18602895754947
Energy: 344.61582092305906
Energy: 342.53551642084676
Energy: 343.38782084650825
Energy: 342.5355164208462
Energy: 343.38782084650825
Energy: 342.5355164208462
Energy: 343.38782084650825
Energy: 342.72575779077624
Energy: 344.04891571339454
Energy: 342.7257577907769
Energy: 344.0489157133939
Energy: 342.72575779077744
Energy: 344.0489157133939
Energy: 345.2729519901596
Energy: 344.68271792375833
Energy: 345.2729519901589
Energy: 344.68271792375833
Energy: 345.2729519901589
Energy: 344.68271792375833
Energy: 344.7643574751706
Energy: 344.5697869427219
Energy: 344.7643574751706
Energy: 344.56978694272124
Energy: 344.7643574751706
Energy: 344.5697869427219
Energy: 345.9162097003182
Energy: 347.83734270217457
Energy: 345.91620970031937
Energy: 347.83734270217457
Energy: 345.9162097003182
Energy: 347.83734270217457
Energy: 342.95018586511446
Energy: 342.17773248814103
Energy: 342.9501858651151
Energy: 342.17773248814103
Energy: 342.95018586511566
Energy: 342.17773248814103
Energy: 344.325298311307
Energy: 342.20761920046124
Energy: 344.325298311307
Energy: 342.2076192004606
Energy: 344.325298311307
Energy: 342.2076192004606

minimum gb energy = 339.48862496909265 eV
minimum distance =  2.31953415441261 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 392.1529920501578
Energy: 391.00199708342586
Energy: 392.1529920501578
Energy: 391.00199708342586
Energy: 392.1529920501572
Energy: 391.00199708342586
Energy: 391.8619175912447
Energy: 394.1400416835146
Energy: 391.86191759124415
Energy: 394.1400416835135
Energy: 391.8619175912447
Energy: 394.140041683514
Energy: 395.4839399280022
Energy: 391.9904712968038
Energy: 395.48393992800277
Energy: 391.99047129672806
Energy: 395.4839399280017
Energy: 391.9904712968
Energy: 395.989394385611
Energy: 393.39991110237054
Energy: 395.989394385611
Energy: 393.3999111023699
Energy: 395.9893943856115
Energy: 393.3999111023699
Energy: 394.09334763381224
Energy: 391.69097831248797
Energy: 394.09334763381224
Energy: 391.6909783124875
Energy: 394.09334763381224
Energy: 391.6909783124875
Energy: 395.49458931686377
Energy: 391.5931474920063
Energy: 395.49458931686377
Energy: 391.59314749200576
Energy: 395.49458931686377
Energy: 391.59314749200576
Energy: 393.9679712291102
Energy: 395.83733282445127
Energy: 393.9679712291102
Energy: 395.83733282445127
Energy: 393.9679712291097
Energy: 395.83733282445127
Energy: 396.20594024866364
Energy: 393.7534647910574
Energy: 396.20594024866364
Energy: 393.7534647910574
Energy: 396.205940248663
Energy: 393.7534647910574
Energy: 394.99404120272163
Energy: 391.5016143209378
Energy: 394.99404120272163
Energy: 391.5016143209373
Energy: 394.99404120272163
Energy: 391.5016143209373
Energy: 394.11406750063196
Energy: 393.51729620344156
Energy: 394.114067500633
Energy: 392.87710662317915
Energy: 394.114067500633
Energy: 392.8771066231797
Energy: 395.74937858085303
Energy: 395.01766372810283
Energy: 395.74937858085303
Energy: 395.01766372810283
Energy: 395.74937858085303
Energy: 395.0176637281033
Energy: 391.6715506507745
Energy: 394.43673313557935
Energy: 391.67155065077395
Energy: 393.92375386818503
Energy: 391.6715506507745
Energy: 393.9237538681856
Energy: 393.26297757799006
Energy: 391.45020693865615
Energy: 393.26297757799006
Energy: 391.4502069386567
Energy: 393.26297757799006
Energy: 391.45020693865615
Energy: 391.9915924954099
Energy: 393.8485355380608
Energy: 391.9915924954099
Energy: 393.29220866316956
Energy: 391.9915924954089
Energy: 393.8485355380608
Energy: 391.73284260922475
Energy: 391.47056491892585
Energy: 391.73284260922475
Energy: 391.47056491892585
Energy: 391.73284260922526
Energy: 391.47056491892647
Energy: 395.7520310129389
Energy: 391.60893095236935
Energy: 395.7520310129389
Energy: 391.60893095236935
Energy: 395.7520310129394
Energy: 391.60893095236935
Energy: 396.1088476095599
Energy: 396.25438663304965
Energy: 396.1088476095599
Energy: 396.2543866330492
Energy: 396.1088476095605
Energy: 396.25438663305073
Energy: 396.1230587923466
Energy: 391.3521333329903
Energy: 396.12305879234555
Energy: 391.3521333329903
Energy: 396.12305879234555
Energy: 391.3521333329903
Energy: 395.1674031385449
Energy: 391.54971527255924
Energy: 395.1674031385454
Energy: 391.5497152725603
Energy: 395.1674031385449
Energy: 391.5497152725603
Energy: 394.05797845882626
Energy: 394.24946032695215
Energy: 394.0579784588252
Energy: 394.24946032695215
Energy: 394.0579784588257
Energy: 394.2494603269527
Energy: 396.06089958197504
Energy: 395.4286996447759
Energy: 396.06089958197566
Energy: 395.4286996447759
Energy: 396.06089958197566
Energy: 395.4286996447759
Energy: 391.99579792135967
Energy: 391.6134596086615
Energy: 391.99579792136126
Energy: 391.6134596086615
Energy: 391.99579792136444
Energy: 391.6134596086615
Energy: 391.3118899682051
Energy: 391.61165378054477
Energy: 391.3118899682051
Energy: 391.61165378054534
Energy: 391.31188996820407
Energy: 391.6116537805443
Energy: 395.99466400035465
Energy: 397.49762403297086
Energy: 395.99466400035465
Energy: 397.49762403297086
Energy: 395.994664000354
Energy: 397.49762403297143
Energy: 391.98717920708816
Energy: 391.61721692280094
Energy: 391.9871792070887
Energy: 391.61721692280037
Energy: 391.9871792070887
Energy: 391.61721692280094
Energy: 393.2264734636811
Energy: 391.4443374560154
Energy: 393.2264734636816
Energy: 391.44433745601486
Energy: 393.2264734636811
Energy: 391.44433745601594
Energy: 391.85665920056545
Energy: 395.2964695232666
Energy: 391.85665920056545
Energy: 395.2964695232666
Energy: 391.85665920056493
Energy: 395.2964695232666
Energy: 392.1400417318062
Energy: 393.92321203771337
Energy: 392.1400417318062
Energy: 393.9232120377139
Energy: 392.1400417318068
Energy: 393.92321203771337
Energy: 398.00077414786807
Energy: 391.5889443564632
Energy: 398.00077414786807
Energy: 391.58894435646374
Energy: 398.00077414786807
Energy: 391.58894435646374
Energy: 396.17932072711386
Energy: 394.05455126049907
Energy: 396.17932072711545
Energy: 394.05455126049907
Energy: 396.17932072711596
Energy: 394.0545512604986
Energy: 396.0571341273892
Energy: 395.5013150236657
Energy: 396.0571341273892
Energy: 395.5013150236657
Energy: 396.0571341273892
Energy: 395.50131502366514
Energy: 390.8613779661153
Energy: 391.4819068373525
Energy: 390.86137796611473
Energy: 391.4819068373525
Energy: 390.86137796611473
Energy: 391.4819068373525
Energy: 391.85931855624017
Energy: 391.61612089428866
Energy: 391.8593185562408
Energy: 391.61612089428866
Energy: 391.8593185562408
Energy: 391.61612089428814

minimum gb energy = 390.86137796611473 eV
minimum distance =  2.32360415099444 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 392.8776892418811
Energy: 392.46713842402573
Energy: 392.8776892418811
Energy: 392.467138424027
Energy: 392.8776892418811
Energy: 392.4671384240292
Energy: 392.87946381877987
Energy: 376.3661288063474
Energy: 392.87946381878027
Energy: 376.3661288063474
Energy: 392.87946381878027
Energy: 376.3661288063474
Energy: 400.4423605131713
Energy: 375.63947069280096
Energy: 400.4423605131713
Energy: 375.63947069280096
Energy: 400.44236051317097
Energy: 375.6394706928014
Energy: 392.87946381878027
Energy: 376.3661288063469
Energy: 392.8794638187794
Energy: 376.3661288063474
Energy: 392.87946381877987
Energy: 376.3661288063474

minimum gb energy = 375.63947069280096 eV
minimum distance =  2.53352188363965 Angstroms
sigma value = 1