Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.606302589178085
cohesive_energy=4.204648203132152
mass=55.845
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: 0.016362744220968388
Energy: 1.7843152128477344
Energy: 0.01636274422068828
Energy: 1.7843152128477344
Energy: 0.016362744220968388
Energy: 1.7843152128486446
Energy: 1.7843152128474191
Energy: 1.820523814572514
Energy: 1.7843152128477344
Energy: 1.8205238145838936
Energy: 1.7843152128471043
Energy: 1.8205238145808125
Energy: 0.016362744220968388
Energy: 1.7843152128474191
Energy: 0.01636274422068828
Energy: 1.784315212848049
Energy: 0.01636274422128351
Energy: 1.7843152128489594
Energy: 1.7843152128477344
Energy: 1.8205238145888305
Energy: 1.7843152128474191
Energy: 1.820523814594993
Energy: 1.7843152128477344
Energy: 1.8205238145829832
Energy: 0.01636274422128351
Energy: 1.7843152128474191
Energy: 0.016362744220968388
Energy: 1.784315212848049
Energy: 0.01636274422128351
Energy: 1.7843152128486446
Energy: 1.784315212848049
Energy: 1.8205238145882001
Energy: 1.7843152128483293
Energy: 1.8205238145808125
Energy: 1.7843152128483293
Energy: 1.8205238145940477

minimum gb energy = 0.01636274422068828 eV
minimum distance =  2.33138428743041 Angstroms
sigma value = 1


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

Energy: 2.005262434803276
Energy: 1.8011820592442342
Energy: 2.0052624348040347
Energy: 1.8011820592487855
Energy: 2.00526243480631
Energy: 1.801182059244993
Energy: 2.120376642418069
Energy: 1.6495727279823535
Energy: 2.120376642397588
Energy: 1.649572727983112
Energy: 2.1203766424066908
Energy: 1.649572727983112
Energy: 1.9488459477326683
Energy: 1.8929526534664385
Energy: 1.9488459477311508
Energy: 1.8929526534641627
Energy: 1.9488459477334268
Energy: 1.8929526534641627
Energy: 2.0252378901613293
Energy: 1.774275740781393
Energy: 2.0252378901643633
Energy: 1.774275740779876
Energy: 2.0252378901620873
Energy: 1.774275740781393
Energy: 1.8653540170964387
Energy: 2.0246029703268267
Energy: 1.8653540171055412
Energy: 2.024602970323793
Energy: 1.8653540171183676
Energy: 2.0246029703192416
Energy: 1.9444111851185901
Energy: 1.7320532452054354
Energy: 1.9444111851147976
Energy: 1.7320532451948158
Energy: 1.9444111851185901
Energy: 1.7320532452054354
Energy: 1.7554390272324978
Energy: 1.9634285317469535
Energy: 1.9107666657262563
Energy: 1.9634285317446778
Energy: 1.8565821988928979
Energy: 1.9634285317560558
Energy: 1.7557863601446422
Energy: 2.0922181581543735
Energy: 1.755786360148435
Energy: 2.092218158168786
Energy: 1.755786360146918
Energy: 2.092218158165752
Energy: 1.9694022887772888
Energy: 1.9661181721646255
Energy: 1.9694022887795644
Energy: 1.9661181721646255
Energy: 1.9694022887780476
Energy: 1.9661181721661425
Energy: 1.6398506951548582
Energy: 2.081026257240497
Energy: 1.6398506951563754
Energy: 2.081026257229119
Energy: 1.6398506951548582
Energy: 2.081026257230636
Energy: 1.8892640641430665
Energy: 1.7418261041486505
Energy: 1.8892640641415492
Energy: 1.7418261041478924
Energy: 1.8892640641453424
Energy: 1.741826104150168
Energy: 1.5585358678628167
Energy: 2.0085476555239654
Energy: 1.5585358678628167
Energy: 2.0085476555103114
Energy: 1.558535867862058
Energy: 2.0085476555178974
Energy: 2.1267001411169835
Energy: 1.5374202900751093
Energy: 2.1267001411162254
Energy: 1.5374202900758676
Energy: 2.1267001411177424
Energy: 1.5374202900758676
Energy: 1.7551309833630044
Energy: 1.872899160598333
Energy: 1.755130983361487
Energy: 1.8728991606021257
Energy: 1.7551309833599702
Energy: 1.872899160596816
Energy: 2.186475850041404
Energy: 1.646189416199685
Energy: 2.1864758500225094
Energy: 1.6461894162012023
Energy: 2.1864758500080974
Energy: 1.6461894162004436
Energy: 2.1907383384531007
Energy: 1.9430130168968973
Energy: 2.1907383384470327
Energy: 1.943013016899173
Energy: 2.1907383384500663
Energy: 1.9430130168946216
Energy: 1.9484937481347464
Energy: 1.8937660128790472
Energy: 1.9484937481210929
Energy: 1.8937660128972524
Energy: 1.9484937481347464
Energy: 1.893766012894977
Energy: 1.9479695865468598
Energy: 1.7765448885253836
Energy: 1.9479695865301723
Energy: 1.7765448885284176
Energy: 1.9479695865476185
Energy: 1.7765448885238664
Energy: 1.7877966511905001
Energy: 1.7736250100865514
Energy: 1.7877966511851906
Energy: 1.77362501008731
Energy: 1.7877966511897414
Energy: 1.7736250100804831
Energy: 1.918695909511027
Energy: 1.7323605064170824
Energy: 1.9186959095201293
Energy: 1.7323605064216336
Energy: 1.9186959095057174
Energy: 1.7323605064178411
Energy: 1.6658781703055716
Energy: 2.0473085661634975
Energy: 1.6658781703048129
Energy: 2.0473085554508597
Energy: 1.6658781703055716
Energy: 2.047308533192293
Energy: 1.9706641966528964
Energy: 1.9669690360476193
Energy: 1.9706641966263474
Energy: 1.9669690360468612
Energy: 1.9706641965642164
Energy: 1.966969036043068
Energy: 1.6285915839164462
Energy: 2.1210256440852087
Energy: 1.6285915839194802
Energy: 2.1210256440920356
Energy: 1.628591583921756
Energy: 2.121025644075347

minimum gb energy = 1.5374202900751093 eV
minimum distance =  2.32850270829015 Angstroms
sigma value = 33


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

Energy: 2.2751655490448477
Energy: 2.0623238033990203
Energy: 2.171287714923895
Energy: 2.062323803394706
Energy: 2.27516554903967
Energy: 2.0623238033929803
Energy: 2.1756184263432763
Energy: 1.817084617719282
Energy: 2.1756184263510425
Energy: 1.8170846177076327
Energy: 2.17561842634155
Energy: 1.817084617708927
Energy: 1.738429496560615
Energy: 1.416040509302899
Energy: 1.7384294965597524
Energy: 1.4533074051489836
Energy: 1.7384294965601836
Energy: 1.4494454324713493
Energy: 2.048771184354322
Energy: 1.9759999425473105
Energy: 2.048771184357774
Energy: 1.975999880322546
Energy: 2.0487711843612253
Energy: 1.9759997342530013
Energy: 1.9706454872591148
Energy: 1.8857856371526698
Energy: 1.970645487263861
Energy: 1.8857856371431778
Energy: 1.9706454872647239
Energy: 1.8857856371427466
Energy: 1.7808323998954605
Energy: 1.6193404832211313
Energy: 1.7808323666123338
Energy: 1.6193404832090506
Energy: 1.780832273943451
Energy: 1.6193404832099136
Energy: 2.069756010473893
Energy: 2.157202548802859
Energy: 2.06975600520819
Energy: 2.157202548800702
Energy: 2.0697559897957025
Energy: 2.1572025488015645
Energy: 1.5867595824499305
Energy: 2.140034622549628
Energy: 1.5867595824486358
Energy: 2.1400251037309412
Energy: 1.586759582453382
Energy: 2.1400055206410555
Energy: 1.6689825237829112
Energy: 1.7435515952250076
Energy: 1.6689825237785967
Energy: 1.7435515952168101
Energy: 1.6689825237768707
Energy: 1.743551595217673
Energy: 1.7031356326404328
Energy: 1.5874111056941969
Energy: 1.7031343727038688
Energy: 1.5531396799022574
Energy: 1.703135632630078
Energy: 1.5532050424253732
Energy: 2.0833931499007896
Energy: 1.706431387324047
Energy: 2.0833931494570193
Energy: 1.7064313873236157
Energy: 2.083393149159041
Energy: 1.7064313873236157
Energy: 1.7404647263541235
Energy: 1.7929029756921835
Energy: 1.7404644828455382
Energy: 1.792902975691791
Energy: 1.740464726357144
Energy: 1.7929029756921835
Energy: 2.1157243958019794
Energy: 1.6783970331019797
Energy: 2.115724395805
Energy: 1.6783970331114717
Energy: 2.115724395808883
Energy: 1.678397033111903
Energy: 2.04738624436322
Energy: 2.071064749715955
Energy: 2.0473862443653768
Energy: 2.0710647495676127
Energy: 2.04738624436322
Energy: 2.0710647491773035
Energy: 2.002572033926616
Energy: 1.8166891097009055
Energy: 2.002572033927479
Energy: 1.8166891097017683
Energy: 2.0025720339235953
Energy: 1.8166891097078088
Energy: 1.7387927993531918
Energy: 1.8161970975619426
Energy: 1.7387927993518975
Energy: 1.8161970975580595
Energy: 1.7387927993471513
Energy: 1.8161970975615114
Energy: 2.048662069473662
Energy: 1.9771794190479892
Energy: 2.0486580822145264
Energy: 1.9771794190337513
Energy: 2.048648763850586
Energy: 1.9771794190350456
Energy: 1.9928905910034551
Energy: 1.6181907112380085
Energy: 1.9928905910151047
Energy: 1.6181907109831364
Energy: 1.992890591009927
Energy: 1.6181907116140795
Energy: 1.783097034140521
Energy: 1.7295329753367845
Energy: 1.7830970341413839
Energy: 1.729532975341962
Energy: 1.783097034144836
Energy: 1.7295329753458448
Energy: 2.1316830522132917
Energy: 2.1543739140234788
Energy: 2.131644467464532
Energy: 2.1543739140174387
Energy: 2.1316830522072516
Energy: 2.1543739140174387
Energy: 1.6595159744805363
Energy: 2.193205261770726
Energy: 1.6595083241104753
Energy: 2.193205261425288
Energy: 1.6595159744693186
Energy: 2.1932052606050148
Energy: 1.8601892778540745
Energy: 1.743636932643581
Energy: 1.8601892778463083
Energy: 1.7436369326379724
Energy: 1.8601892778484657
Energy: 1.7436369326362462
Energy: 1.7033306274690363
Energy: 2.1815420093974383
Energy: 1.7033329263334083
Energy: 2.181505709160176
Energy: 1.7033306274655844
Energy: 1.610078943162725
Energy: 2.1102041614506484
Energy: 1.97079094648743
Energy: 2.1102041614506484
Energy: 1.9707909464857045
Energy: 2.1102041614575517
Energy: 1.970790946482684
Energy: 1.7384908197884275
Energy: 1.776684225295537
Energy: 1.7385444267194976
Energy: 1.776684225291223
Energy: 1.738490819788859
Energy: 1.7766842252532544
Energy: 2.2303004109658637
Energy: 2.0593805689327147
Energy: 2.127671069893754
Energy: 2.0593805689422067
Energy: 2.230300410961118
Energy: 2.0593805689495412
Energy: 2.2298833402544354
Energy: 2.081553006862705
Energy: 2.1273670712980435
Energy: 2.081553006863568
Energy: 2.2298833402565927
Energy: 2.081553006866156
Energy: 1.7383450003634677
Energy: 1.85944768003691
Energy: 1.7383450003574272
Energy: 1.8594476800399304
Energy: 1.7383450003587215
Energy: 1.8594476800420874
Energy: 1.5778093528536226
Energy: 1.8171318624848756
Energy: 1.5648577393657803
Energy: 1.817131862485307
Energy: 1.5651111004858274
Energy: 1.8171318624870325
Energy: 1.703373564142775
Energy: 2.1058427445330117
Energy: 1.7033735641367345
Energy: 2.1058412626721066
Energy: 1.7033735641410492
Energy: 2.1058373348896855
Energy: 1.9920548017159028
Energy: 1.6186747403377537
Energy: 1.9920527343326226
Energy: 1.6186747403424995
Energy: 1.9920477523302818
Energy: 1.6186747403213977
Energy: 1.676354525916416
Energy: 2.1323950768863678
Energy: 1.6763545259146904
Energy: 2.1323940660933
Energy: 1.6763545259159849
Energy: 2.132391760362333
Energy: 2.072443935874785
Energy: 2.1542992723459653
Energy: 2.0724439358730593
Energy: 2.1542992723446712
Energy: 2.0724439358696074
Energy: 2.1542992723442396
Energy: 1.8208286471801742
Energy: 2.0019442945534145
Energy: 1.8208286471823316
Energy: 2.0019442945568664
Energy: 1.8208286471737025
Energy: 2.0019442945503947
Energy: 1.8161694274951556
Energy: 1.738713447909638
Energy: 1.8161694274999018
Energy: 1.7387134479117952
Energy: 1.8161694274947242
Energy: 1.738713447908775
Energy: 1.9752301303365114
Energy: 2.0500683770050165
Energy: 1.9752301266069419
Energy: 2.0500683769304135
Energy: 1.975230110009799
Energy: 2.050068376845025
Energy: 1.739199372220097
Energy: 1.9713466619447442
Energy: 1.7391787239475878
Energy: 1.9713466619469018
Energy: 1.7391993722239798
Energy: 1.971346661946039
Energy: 1.807023240131376
Energy: 1.7799600219145282
Energy: 1.8070232401451825
Energy: 1.779960021907233
Energy: 1.8070232401395736
Energy: 1.7799600219097822
Energy: 2.0474818160010972
Energy: 2.070419456186043
Energy: 2.0474818160028234
Energy: 2.070419455897086
Energy: 2.047481816012747
Energy: 2.070419453785196
Energy: 2.1412503791070416
Energy: 1.586633381397303
Energy: 2.1412503765824455
Energy: 1.5866333813921254
Energy: 2.141250367796743
Energy: 1.5866333813921254
Energy: 1.740943696704445
Energy: 1.6701835786616517
Energy: 1.7409436967083283
Energy: 1.6701835786594945
Energy: 1.7409436967117797
Energy: 1.670183578659063

minimum gb energy = 1.416040509302899 eV
minimum distance =  2.36905904395493 Angstroms
sigma value = 51


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

Energy: 1.9419466345122145
Energy: 1.953843778914639
Energy: 1.9419466345092153
Energy: 1.9538437789206369
Energy: 1.941946634508216
Energy: 1.953843778917638
Energy: 2.0414752350368848
Energy: 1.752872404260766
Energy: 2.04147523502089
Energy: 1.752872404260766
Energy: 2.0414752350358847
Energy: 1.7528724042587662
Energy: 1.8786258480214486
Energy: 1.8919344649013734
Energy: 1.8786258480244475
Energy: 1.891934464871383
Energy: 1.8786258480244475
Energy: 1.891934464828397
Energy: 1.9225166004389764
Energy: 1.6171839008157463
Energy: 1.9225166004499727
Energy: 1.6171839008157463
Energy: 1.9225166004469738
Energy: 1.6171839008167457
Energy: 1.9280834079462315
Energy: 1.8965375615895936
Energy: 1.9280834079392337
Energy: 1.896537561590593
Energy: 1.9280834079292373
Energy: 1.8965375615955917
Energy: 1.949411511443473
Energy: 1.8964597471500515
Energy: 1.9494115114424733
Energy: 1.8964597471470523
Energy: 1.949411511439474
Energy: 1.8964597471530504
Energy: 1.7673250255837158
Energy: 1.8965377509665458
Energy: 1.767325025589714
Energy: 1.8965377509625472
Energy: 1.7673250255867152
Energy: 1.8965377509645467
Energy: 1.7645517050525166
Energy: 1.8973511099304199
Energy: 1.7645517050535162
Energy: 1.8973511099174698
Energy: 1.7645517050535162
Energy: 1.8973511099234224
Energy: 2.157043777439063
Energy: 1.611931530697673
Energy: 2.157043777437064
Energy: 1.611931530696673
Energy: 2.157043777439063
Energy: 1.611931530696673
Energy: 1.6446805968839278
Energy: 2.128033482989302
Energy: 1.6446805968839278
Energy: 2.128033482986303
Energy: 1.6446805968849272
Energy: 2.128033482986303
Energy: 1.9595882343455457
Energy: 1.6275132192482493
Energy: 1.959566726375307
Energy: 1.6275132192482493
Energy: 1.959505778816362
Energy: 1.6275132192482493
Energy: 1.9430036828117179
Energy: 1.9547948846590317
Energy: 1.9430036828077193
Energy: 1.9547948846600314
Energy: 1.9430036828067196
Energy: 1.9547948846610315
Energy: 2.0396307624067607
Energy: 1.7544436699334047
Energy: 2.039630329340748
Energy: 1.754443669931405
Energy: 2.039629152239567
Energy: 1.7544436699324046
Energy: 1.8783374842165033
Energy: 1.7901285778168037
Energy: 1.8783374842145037
Energy: 1.7901285777888583
Energy: 1.8783374842175031
Energy: 1.7901285777268785
Energy: 1.9183373284671088
Energy: 1.9332413316879027
Energy: 1.9183373284651093
Energy: 1.9332413316859036
Energy: 1.9183373284671088
Energy: 1.9332413316859036
Energy: 1.9267130732829798
Energy: 1.8965886761441497
Energy: 1.9267130732779814
Energy: 1.896588676151102
Energy: 1.9267130732759818
Energy: 1.896588676151102
Energy: 1.9279727166415397
Energy: 2.0628524316872014
Energy: 1.9279727166415397
Energy: 2.062852431682203
Energy: 1.9279727166415397
Energy: 2.0628524316812027
Energy: 1.8789672641724462
Energy: 1.8994008508359437
Energy: 1.8789672641704471
Energy: 1.8994008508379427
Energy: 1.8789672641744457
Energy: 1.8994008508359437

minimum gb energy = 1.611931530696673 eV
minimum distance =  2.23818637021289 Angstroms
sigma value = 19


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

Energy: 1.7024239453335737
Energy: 1.726504954291907
Energy: 1.5709747103325045
Energy: 1.7265049542925
Energy: 1.7024239453341667
Energy: 1.7265049542913142
Energy: 1.8697883076126607
Energy: 1.9427701068250167
Energy: 1.8697883076162183
Energy: 1.9427701068226448
Energy: 1.8697883076132533
Energy: 1.9427701068267955
Energy: 1.6445030176914592
Energy: 1.9403674164758664
Energy: 1.644503017694424
Energy: 1.9403674164770521
Energy: 1.6445030176914592
Energy: 1.940367416476459
Energy: 1.7802251958407707
Energy: 1.6266262397726603
Energy: 1.7802251958419568
Energy: 1.6266262397726603
Energy: 1.7802251958413642
Energy: 1.626626239770881
Energy: 1.7017726817450147
Energy: 1.566828022513653
Energy: 1.7017726817462007
Energy: 1.5668280225130602
Energy: 1.7017726817450147
Energy: 1.5668280225142461
Energy: 1.5577848278073996
Energy: 1.5668397274026749
Energy: 1.5577848278091513
Energy: 1.5668397274020818
Energy: 1.5577848278073996
Energy: 1.566839727403268
Energy: 1.6406019408493147
Energy: 1.6448775055790845
Energy: 1.6406019408493147
Energy: 1.6448775055784919
Energy: 1.6406019408493147
Energy: 1.6448775055796776
Energy: 1.6444741110468624
Energy: 2.0939364485594676
Energy: 1.6444755647328166
Energy: 2.0939364485588743
Energy: 1.6444741110474552
Energy: 2.0939364485588743
Energy: 1.8519845535124138
Energy: 1.9737363983437322
Energy: 1.8519845535135997
Energy: 1.9737363983431393
Energy: 1.851984553511821
Energy: 1.9737363983466971
Energy: 1.5709747103342833
Energy: 1.7265049542889421
Energy: 1.5709747103330973
Energy: 1.7265049542889421
Energy: 1.5709747103336902
Energy: 1.7265049542871633
Energy: 1.8697883076138464
Energy: 1.9427701068208658
Energy: 1.8697883076132533
Energy: 1.9427701068214591
Energy: 1.8697883076144393
Energy: 1.9427701068226448
Energy: 1.6445030176956101
Energy: 1.9403674164788312
Energy: 1.644503017697982
Energy: 1.9403674164770521
Energy: 1.644503017695017
Energy: 1.9403674164770521
Energy: 1.7802251958419568
Energy: 1.6448673387808446
Energy: 1.7802251958407707
Energy: 1.6448673387808446
Energy: 1.7802251958419568
Energy: 1.644867338783216
Energy: 1.7017726817402707
Energy: 1.5668280225089093
Energy: 1.7017726817420498
Energy: 1.5668280225095024
Energy: 1.7017726817402707
Energy: 1.5668280225118743
Energy: 1.5577848278068065
Energy: 1.566839727405047
Energy: 1.5577848278068065
Energy: 1.566839727405047
Energy: 1.5577848278068065
Energy: 1.5668397274044537
Energy: 1.6406019408469426
Energy: 1.6448775055820495
Energy: 1.6406019408457568
Energy: 1.6448775055814568
Energy: 1.6406019408463497
Energy: 1.6448775055808633
Energy: 1.6444949547785728
Energy: 2.093936448561246
Energy: 1.644598298231088
Energy: 2.0939364485523786
Energy: 1.6444949547791656
Energy: 2.093936448556503
Energy: 1.7359064326619376
Energy: 1.973736398344325
Energy: 1.8519845535082629
Energy: 1.9737363983437322
Energy: 1.7359064326643092
Energy: 1.973736398349662
Energy: 1.7024239453282368
Energy: 1.7265049542871633
Energy: 1.5709747103301324
Energy: 1.7265049542889421
Energy: 1.7024239453288297
Energy: 1.7265049542877564
Energy: 1.8697883076102886
Energy: 1.9427701068202727
Energy: 1.8697883076138464
Energy: 1.9427701068208658
Energy: 1.8697883076114747
Energy: 1.9427701068208658
Energy: 1.6445030176914592
Energy: 1.9403674164770521
Energy: 1.6445030176938313
Energy: 1.94036741647468
Energy: 1.644503017690273
Energy: 1.9403674164705293
Energy: 1.780225195839585
Energy: 1.6266262397720672
Energy: 1.7802251958419568
Energy: 1.626626239771474
Energy: 1.780225195839585
Energy: 1.6266262397726603
Energy: 1.7017726817438286
Energy: 1.5668280225083164
Energy: 1.7017726817444216
Energy: 1.5668280225083164
Energy: 1.7017726817438286
Energy: 1.5668280225095024
Energy: 1.5577848278091513
Energy: 1.5668397274008958
Energy: 1.5577848278085584
Energy: 1.5668397274008958
Energy: 1.5577848278091513
Energy: 1.566839727403268
Energy: 1.6406019408457568
Energy: 1.6448775055844214
Energy: 1.6406019408463497
Energy: 1.6448775055832354
Energy: 1.6406019408463497
Energy: 1.6448775055814568
Energy: 1.644474111045676
Energy: 2.0939364485582814
Energy: 1.6444755647363747
Energy: 2.093936448554157
Energy: 1.6444741110450833
Energy: 2.0939364485594676
Energy: 1.8519845535135997
Energy: 1.9737363983419534
Energy: 1.8519845535141928
Energy: 1.97373639834136
Energy: 1.8519845535124138
Energy: 1.9737363983466971
Energy: 1.5709747103319114
Energy: 1.726504954295465
Energy: 1.5709747103319114
Energy: 1.726504954295465
Energy: 1.570974710331318
Energy: 1.7265049542925
Energy: 1.8697883076114747
Energy: 1.942770106823238
Energy: 1.8697883076138464
Energy: 1.942770106823238
Energy: 1.8697883076108814
Energy: 1.942770106823238
Energy: 1.644503017695017
Energy: 1.940367416479424
Energy: 1.6445030176962028
Energy: 1.940367416476459
Energy: 1.644503017695017
Energy: 1.9403674164758664

minimum gb energy = 1.5577848278068065 eV
minimum distance =  2.26349302674378 Angstroms
sigma value = 27


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

Energy: 1.497570633366508
Energy: 1.4777983840498903
Energy: 1.497570633366508
Energy: 1.4777983840498903
Energy: 1.497570633366508
Energy: 1.4777983840498903
Energy: 1.6299676704846398
Energy: 1.5226486581065077
Energy: 1.6299676704831874
Energy: 1.52264865810215
Energy: 1.6299676704817347
Energy: 1.52264865810215
Energy: 1.7827319201560503
Energy: 1.6624697582390697
Energy: 1.7827319201531453
Energy: 1.6624697582405223
Energy: 1.7827319201560503
Energy: 1.662469758241975
Energy: 1.6420015703792208
Energy: 1.438721746594618
Energy: 1.6420015703734105
Energy: 1.438721746594618
Energy: 1.6420015703705055
Energy: 1.438721746594618
Energy: 1.3885250449101876
Energy: 1.4388396582694387
Energy: 1.3888192853634176
Energy: 1.4388396582723437
Energy: 1.3887774533989055
Energy: 1.4388396582694387
Energy: 1.779673829642141
Energy: 1.8355018375466894
Energy: 1.7796738296334262
Energy: 1.8355018375510468
Energy: 1.7796738296334262
Energy: 1.8355018375466894
Energy: 1.439855059317575
Energy: 1.527806274700474
Energy: 1.7898146966248238
Energy: 1.527806274700474
Energy: 1.7898146966248238
Energy: 1.5278062746990213
Energy: 1.4970202137960658
Energy: 1.4781809878910994
Energy: 1.4970202137931607
Energy: 1.4781809878925518
Energy: 1.4970202137960658
Energy: 1.4781809878910994
Energy: 1.6900204611200214
Energy: 1.5350410355491941
Energy: 1.6900162369258798
Energy: 1.535041035363374
Energy: 1.6900045953375102
Energy: 1.5350410353009172
Energy: 1.642912908372769
Energy: 1.7724770080247203
Energy: 1.642912908372769
Energy: 1.7724770080232677
Energy: 1.642912908372769
Energy: 1.7724770080276253
Energy: 1.518566535058736
Energy: 1.441239376329329
Energy: 1.518566535055831
Energy: 1.4412393763307818
Energy: 1.8148922182441285
Energy: 1.4412393763307818
Energy: 1.7811751264479236
Energy: 1.6903161284611212
Energy: 1.781116636773768
Energy: 1.6903161284524064
Energy: 1.3311044685644393
Energy: 1.690316128427747

minimum gb energy = 1.3311044685644393 eV
minimum distance =  2.24165466520009 Angstroms
sigma value = 9


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

Energy: 1.5481543337684132
Energy: 1.3702287168095961
Energy: 1.5481543337712702
Energy: 1.3702287168108203
Energy: 1.5481543337696377
Energy: 1.3702287168095961
Energy: 1.4149799821026405
Energy: 1.425634878505725
Energy: 1.4149799814238342
Energy: 1.3513847414971765
Energy: 1.4149799821067217
Energy: 1.3513847414979927
Energy: 1.3105457978314474
Energy: 1.4447074196801122
Energy: 1.3105457978306312
Energy: 1.444707419679704
Energy: 1.3105457978310393
Energy: 1.444707419682561
Energy: 1.3496076878399703
Energy: 1.2902998849050284
Energy: 1.3496076878383378
Energy: 1.2902998849054363
Energy: 1.349607687838746
Energy: 1.2902998849054363
Energy: 1.408872130755056
Energy: 1.3703526672039117
Energy: 1.408872130757876
Energy: 1.3703526672039117
Energy: 1.4088721307501588
Energy: 1.3703526672043198
Energy: 1.4768638908335476
Energy: 1.6225561549943202
Energy: 1.4768638908253853
Energy: 1.6225561549898313
Energy: 1.4768638908168148
Energy: 1.4608054593585618
Energy: 1.4028861165989106
Energy: 1.4681724442747106
Energy: 1.4028861165997266
Energy: 1.4681724442861377
Energy: 1.4028861165671147
Energy: 1.4681724442824649
Energy: 1.2734593421834
Energy: 1.4149988133917732
Energy: 1.2734593421825837
Energy: 1.4149988133917732
Energy: 1.2734593421834
Energy: 1.414998813390549
Energy: 1.4235497110996373
Energy: 1.371466864198256
Energy: 1.4235497111000457
Energy: 1.3714668641974397
Energy: 1.4235497111004538
Energy: 1.371466864198256
Energy: 1.4006681413478594
Energy: 1.372113009612196
Energy: 1.4006681413482676
Energy: 1.372113009623215
Energy: 1.4006681413482676
Energy: 1.372113009612196
Energy: 1.3448875247339462
Energy: 1.299320115663116
Energy: 1.3448875247310896
Energy: 1.2993201156635241
Energy: 1.3448875247351708
Energy: 1.299320115662708
Energy: 1.3439442865872122
Energy: 1.5314103331249862
Energy: 1.3439442865912934
Energy: 1.5314103325387847
Energy: 1.3439442865884366
Energy: 1.5314103309119649
Energy: 1.431608144878343
Energy: 1.4374193251149352
Energy: 1.4316081446017526
Energy: 1.4374193251210572
Energy: 1.4316081437520203
Energy: 1.4374193250945295
Energy: 1.5385319382882428
Energy: 1.4451137424301546
Energy: 1.5385319382735507
Energy: 1.4451137424309708
Energy: 1.5385319382731424
Energy: 1.4451137424301546
Energy: 1.3088183110486
Energy: 1.4960555034532472
Energy: 1.308818311055538
Energy: 1.4960555034532472
Energy: 1.3088183110506406
Energy: 1.4960555034569203
Energy: 1.3203788963910503
Energy: 1.5226131321369734
Energy: 1.320378896383296
Energy: 1.5226131321341168
Energy: 1.3203788963886018
Energy: 1.5226131321088137
Energy: 1.3093671584952
Energy: 1.2912378356172476
Energy: 1.30937075190585
Energy: 1.2912378356164311
Energy: 1.3092320127555996
Energy: 1.2912378356160232
Energy: 1.3297795562537655
Energy: 1.3851683476264007
Energy: 1.3297795562537655
Energy: 1.3851683476259926
Energy: 1.3297795562537655
Energy: 1.3851683476259926
Energy: 1.2667720924070707
Energy: 1.6138033158252139
Energy: 1.266772092407887
Energy: 1.6138020760046305
Energy: 1.26677209240503
Energy: 1.6137977600626299
Energy: 1.5493822222138074
Energy: 1.3651850259802447
Energy: 1.5493822222150317
Energy: 1.3651850259822853
Energy: 1.5493822222142157
Energy: 1.365185025981877
Energy: 1.2668540173312517
Energy: 1.6137883679037381
Energy: 1.2668540173300273
Energy: 1.613783182416874
Energy: 1.2668540173304352
Energy: 1.6137722659558469
Energy: 1.3298462621404576
Energy: 1.3850493732054643
Energy: 1.329846262138009
Energy: 1.3850493732054643
Energy: 1.3298462621363765
Energy: 1.3850493732058722
Energy: 1.309361231784285
Energy: 1.2913614333928958
Energy: 1.3093221036316502
Energy: 1.2913614333884065
Energy: 1.3093697503552302
Energy: 1.2913614333888146
Energy: 1.3203968994493815
Energy: 1.404815262544639
Energy: 1.3203968994501978
Energy: 1.4048152625691261
Energy: 1.320396899447749
Energy: 1.4048152625821857
Energy: 1.3088414377575661
Energy: 1.4385378201279515
Energy: 1.3088414377555253
Energy: 1.4385378201320325
Energy: 1.3088414377596065
Energy: 1.4385378201291756
Energy: 1.5383422993892983
Energy: 1.4450754415751854
Energy: 1.5383422993615834
Energy: 1.4450754415723286
Energy: 1.538342299374198
Energy: 1.4450754415719205
Energy: 1.4318740977638316
Energy: 1.437483100123024
Energy: 1.4318740975178494
Energy: 1.4374831001217996
Energy: 1.4318740966819934
Energy: 1.4374831001189428
Energy: 1.3435531638178462
Energy: 1.310522907075874
Energy: 1.3435531638174378
Energy: 1.3105229070791389
Energy: 1.3435531638178462
Energy: 1.3105229070730173
Energy: 1.345017314720083
Energy: 1.2991854285776239
Energy: 1.3450173147221234
Energy: 1.2991854285788484
Energy: 1.345017314728208
Energy: 1.2991854285780322
Energy: 1.4006965865292924
Energy: 1.2538523955027023
Energy: 1.4006965865260277
Energy: 1.253852395491275
Energy: 1.4006965865256193
Energy: 1.2538523955043348
Energy: 1.423722728184509
Energy: 1.3711412512304058
Energy: 1.4237227281865494
Energy: 1.3711412512304058
Energy: 1.4237227281971234
Energy: 1.3711412512308139
Energy: 1.2734625353817686
Energy: 1.415113038186293
Energy: 1.2734625353809523
Energy: 1.4151130381846606
Energy: 1.2734625353813607
Energy: 1.4151130381875174
Energy: 1.4030177424020047
Energy: 1.4705660207295406
Energy: 1.4030177424007801
Energy: 1.470566020737703
Energy: 1.403017742388982
Energy: 1.4705660207352542
Energy: 1.4763507982682078
Energy: 1.335706251347221
Energy: 1.476350798283716
Energy: 1.3357062513455886
Energy: 1.476350798265759
Energy: 1.3357062513443643
Energy: 1.4088578523265827
Energy: 1.3703561703237475
Energy: 1.4088578523237258
Energy: 1.37035617032538
Energy: 1.4088578523196447
Energy: 1.3703561703245637
Energy: 1.3495604407820574
Energy: 1.2902405044342586
Energy: 1.3495604407828738
Energy: 1.2902405044342586
Energy: 1.349560440783282
Energy: 1.2902405044334424
Energy: 1.310515351052493
Energy: 1.4444600435149835
Energy: 1.310515351052493
Energy: 1.4444600435186563
Energy: 1.3105153510508605
Energy: 1.444460043514167
Energy: 1.4150023048909832
Energy: 1.4219735235901496
Energy: 1.4150023048946565
Energy: 1.4219735027402287
Energy: 1.4150023048942484
Energy: 1.4219735018766577
Energy: 1.5481543337692296
Energy: 1.3702287168067393
Energy: 1.5481543337712702
Energy: 1.3702287168079637
Energy: 1.5481543337692296
Energy: 1.3702287168067393
Energy: 1.4149799807425791
Energy: 1.365462670443304
Energy: 1.4149799807442116
Energy: 1.458491989256071
Energy: 1.414979980678134
Energy: 1.4584919892532142
Energy: 1.3105457978302228
Energy: 1.44470741968705
Energy: 1.3105457978294068
Energy: 1.4447074196886824
Energy: 1.3105457978289987
Energy: 1.4447074196911311
Energy: 1.349607687831808
Energy: 1.2902998849038039
Energy: 1.3496076878309917
Energy: 1.2902998849038039
Energy: 1.349607687831808
Energy: 1.2902998849038039
Energy: 1.408872130754648
Energy: 1.3703526672124822
Energy: 1.4088721307566514
Energy: 1.3703526672120738
Energy: 1.4088721307526075
Energy: 1.370352667211666

minimum gb energy = 1.253852395491275 eV
minimum distance =  2.3461438558657 Angstroms
sigma value = 57


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

Energy: 1.4004167622204096
Energy: 1.1653311710946594
Energy: 1.4004167622213386
Energy: 1.1653311710946594
Energy: 1.4004167622213386
Energy: 1.1653311710946594
Energy: 0.8427017979861101
Energy: 1.1903847178946034
Energy: 0.842701797987039
Energy: 1.1903847178946034
Energy: 0.8427017979879681
Energy: 1.1903847178946034
Energy: 1.2399235728226912
Energy: 1.173603837648056
Energy: 1.2399235728226912
Energy: 1.173603837648056
Energy: 1.2399235728226912
Energy: 1.173603837648056
Energy: 0.7681977902943233
Energy: 0.7189218052208639
Energy: 0.7681977902943233
Energy: 0.7189218052208639
Energy: 0.7681977902943233
Energy: 0.7189218052208639
Energy: 0.8143317421779072
Energy: 0.8441970874899198
Energy: 0.8143317421769781
Energy: 0.8441970874889907
Energy: 0.8143317421760492
Energy: 0.8441970874880618
Energy: 0.7191501586713093
Energy: 1.2235827911130617
Energy: 0.7191501586713093
Energy: 1.2235827911130617
Energy: 0.7191501586713093
Energy: 1.2235827911130617
Energy: 0.7191095197226282
Energy: 1.161776981484753
Energy: 0.7191095197216991
Energy: 1.1617769814828949
Energy: 0.7191095197216991
Energy: 1.161776981481966
Energy: 0.8438820987133988
Energy: 0.8164096811794168
Energy: 0.8438820987115406
Energy: 0.8164096811784878
Energy: 0.8438820987124696
Energy: 0.8164096811784878
Energy: 0.768794636520628
Energy: 0.7189235669241981
Energy: 0.768794636520628
Energy: 0.7189235669241981
Energy: 0.7687946365215569
Energy: 0.7189235669232691
Energy: 1.1078202631133367
Energy: 1.2627313426109186
Energy: 1.1078202631133367
Energy: 1.2627313426053446
Energy: 1.1078202631124077
Energy: 1.2627313426044156
Energy: 0.8146724940194072
Energy: 1.1897230319244458
Energy: 0.8146724940194072
Energy: 1.1897230319262615
Energy: 0.8146724940194072
Energy: 1.1897230319244458
Energy: 1.400416762225984
Energy: 1.1653311711020915
Energy: 1.400416762225984
Energy: 1.1653311711020915
Energy: 1.400416762225984
Energy: 1.1653311711011625
Energy: 0.8427017979963293
Energy: 1.1903847178992484
Energy: 0.8427017979963293
Energy: 1.1903847178992484
Energy: 0.8427017979963293
Energy: 1.1903847178992484
Energy: 1.2399235728236202
Energy: 1.1736038376424818
Energy: 1.2399235728236202
Energy: 1.173603837641553
Energy: 1.239923572824549
Energy: 1.173603837641553
Energy: 0.7681977902980393
Energy: 0.718921805225509
Energy: 0.7681977902971103
Energy: 0.718921805225509
Energy: 0.7681977902971103
Energy: 0.718921805225509
Energy: 0.8143317421779072
Energy: 0.8441970874927069
Energy: 0.8143317421779072
Energy: 0.8441970874917777
Energy: 0.8143317421769781
Energy: 0.8441970874917777
Energy: 0.7191501586731675
Energy: 1.2235827911093458
Energy: 0.7191501586731675
Energy: 1.2235827911093458
Energy: 0.7191501586731675
Energy: 1.2235827911102748
Energy: 0.7191095197198412
Energy: 1.161776981486611
Energy: 0.7191095197198412
Energy: 1.16177698148754
Energy: 0.7191095197189121
Energy: 1.1617769814856818
Energy: 0.8438820987115406
Energy: 0.8164096811933521
Energy: 0.8438820987115406
Energy: 0.8164096811933521
Energy: 0.8438820987115406
Energy: 0.8164096811933521

minimum gb energy = 0.7189218052208639 eV
minimum distance =  2.42139303652234 Angstroms
sigma value = 11


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

Energy: 1.1248040485191941
Energy: 1.0682375825011072
Energy: 1.1248040485205553
Energy: 1.0682375824983852
Energy: 1.1248040485198747
Energy: 1.0682375824977046
Energy: 1.2591240189395907
Energy: 1.2396642603450252
Energy: 1.2591240189314246
Energy: 1.2396642603457058
Energy: 1.2591240189266608
Energy: 1.2396642603443448
Energy: 1.2599410540768998
Energy: 1.6043502547517658
Energy: 1.5706297358138404
Energy: 1.6043502547606128
Energy: 1.5076630793647063
Energy: 1.6043502547606128
Energy: 1.5486809746573693
Energy: 1.0629779912948485
Energy: 1.5486809746580499
Energy: 1.0629779912948485
Energy: 1.548680974659411
Energy: 1.0629779912948485
Energy: 1.4614258447797865
Energy: 1.0328087424887733
Energy: 1.4614258447811477
Energy: 1.0328087424880927
Energy: 1.4614258447804673
Energy: 1.0328087424887733
Energy: 1.0823396929489477
Energy: 1.0508806596088152
Energy: 1.0823396929482672
Energy: 1.0508806596074542
Energy: 1.0823396929475868
Energy: 1.0508806596088152
Energy: 1.0129519658751927
Energy: 1.096973559067434
Energy: 1.0129519658765538
Energy: 1.0969735590606289
Energy: 1.0129519658765538
Energy: 1.0969735590687952
Energy: 1.0735580565269325
Energy: 0.9917939867645694
Energy: 1.0735580565146832
Energy: 0.991793986763889
Energy: 1.0735580565262521
Energy: 0.9917939867645694
Energy: 1.2867512887733108
Energy: 0.9985784223256253
Energy: 1.2867512887739914
Energy: 0.9985784223256253
Energy: 1.2867512887739914
Energy: 0.9985784223263058
Energy: 1.0036500137501716
Energy: 1.5333431776688997
Energy: 1.003650013749491
Energy: 1.5333431776818296
Energy: 1.003650013749491
Energy: 1.5333431776838713
Energy: 1.097346299081773
Energy: 1.4374438799831755
Energy: 1.097346299106272
Energy: 1.4374438799831755
Energy: 1.0973462990872171
Energy: 1.4374438799852167
Energy: 1.2592761603371372
Energy: 1.0298969171751222
Energy: 1.2592761603391789
Energy: 1.0298969171758028
Energy: 1.2592761603364568
Energy: 1.0298969171744417
Energy: 1.505329875621635
Energy: 1.0713643474090584
Energy: 1.5053298756202735
Energy: 1.0713643474090584
Energy: 1.505329875621635
Energy: 1.071364347407697
Energy: 1.5138812364223528
Energy: 1.5752319013045326
Energy: 1.5138812364216723
Energy: 1.575231901310657
Energy: 1.5138812364196306
Energy: 1.575231901310657
Energy: 1.2585378001919119
Energy: 1.0323334345804778
Energy: 1.2585377981886987
Energy: 1.0323334345818387
Energy: 1.2585377921149679
Energy: 1.032333434578436
Energy: 1.0783500805698032
Energy: 1.4911139913141107
Energy: 1.0783500805684423
Energy: 1.4911139913147913
Energy: 1.0783500805670811
Energy: 1.4911139913141107
Energy: 1.1970811449809318
Energy: 1.2430984179182498
Energy: 1.1970811449816123
Energy: 1.243098417919611
Energy: 1.1970811449788905
Energy: 1.243098417919611
Energy: 1.547897258184894
Energy: 1.1445062489601159
Energy: 1.547897258184894
Energy: 1.1445062489635187
Energy: 1.5478972581821722
Energy: 1.144506248968282
Energy: 1.3339808338795427
Energy: 1.056198925761914
Energy: 1.3339808338815222
Energy: 1.056198925761914
Energy: 1.3339808338666128
Energy: 1.056198925761914
Energy: 1.258284574573866
Energy: 1.0717870356604107
Energy: 1.2582845745725046
Energy: 1.0717870356631325
Energy: 1.2582845745725046
Energy: 1.071787035662452
Energy: 1.0074712752402317
Energy: 1.0552295580832576
Energy: 1.0074712752409123
Energy: 1.0552295580859798
Energy: 1.0074712752402317
Energy: 1.0552295580832576
Energy: 1.058366834975617
Energy: 1.0970297134911386
Energy: 1.0583668349735753
Energy: 1.0970297134870552
Energy: 1.0583668349735753
Energy: 1.0970297134802505
Energy: 1.2675688117695236
Energy: 1.2713014989063192
Energy: 1.2675688117695236
Energy: 1.2713014989069997
Energy: 1.2675688117668016
Energy: 1.2713014989069997
Energy: 1.0884825568557766
Energy: 1.247420592580819
Energy: 1.0884825568571375
Energy: 1.247420592579458
Energy: 1.0884825568469298
Energy: 1.2474205925787776
Energy: 1.0074591372910962
Energy: 1.5334052985126707
Energy: 1.0074591372917765
Energy: 1.5334052954054018
Energy: 1.0074591372931379
Energy: 1.5334052894936352
Energy: 2.0395533265639836
Energy: 1.4163312506133892
Energy: 2.0395533265667054
Energy: 1.4163312506174723
Energy: 2.0395533265653447
Energy: 1.4163312506188332

minimum gb energy = 0.991793986763889 eV
minimum distance =  2.29741115485244 Angstroms
sigma value = 41


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

Energy: 1.268536758303756
Energy: 1.1486695762848953
Energy: 1.2685367583026832
Energy: 1.148669576284359
Energy: 1.268536758303756
Energy: 1.148669576284359
Energy: 1.1900705880070284
Energy: 1.1265622671591993
Energy: 1.1900705880070284
Energy: 1.126562267163978
Energy: 1.1900705880070284
Energy: 1.1265622671612963
Energy: 1.419613424517853
Energy: 1.2869366000618143
Energy: 1.4196134245232168
Energy: 1.2869366000591325
Energy: 1.4196134245258984
Energy: 1.2869366000607416
Energy: 1.174585831548935
Energy: 1.1065184980009937
Energy: 1.1745858315483986
Energy: 1.1065184980009937
Energy: 1.174585831548935
Energy: 1.1065184980009937
Energy: 1.1156810178027812
Energy: 1.1895126838518766
Energy: 1.1156810178017085
Energy: 1.1895126838513401
Energy: 1.1156810178017085
Energy: 1.1895126838513401
Energy: 1.1686956171300908
Energy: 1.1422546462715892
Energy: 1.1686956171311635
Energy: 1.1422546462721255
Energy: 1.1686956171306273
Energy: 1.1422546462710526
Energy: 1.1103103813758541
Energy: 1.18954861729912
Energy: 1.1103103813758541
Energy: 1.189505561015685
Energy: 1.1103103813758541
Energy: 1.1075927130019667
Energy: 1.0722120336686758
Energy: 1.106534957526285
Energy: 1.0722120336692122
Energy: 1.1065349575257486
Energy: 1.0722120336692122
Energy: 1.1065349575257486
Energy: 1.130841624277564
Energy: 1.184072404474843
Energy: 1.130841624277564
Energy: 1.1840724044753792
Energy: 1.1308416242781003
Energy: 1.1840724044743065
Energy: 1.1677215553436937
Energy: 1.1959653028459316
Energy: 1.1677215553447664
Energy: 1.195965302840568
Energy: 1.1677215553458393
Energy: 1.1959653028459316
Energy: 1.1768234724155846
Energy: 1.2123791562703592
Energy: 1.1768234724171935
Energy: 1.2123791562757231
Energy: 1.1768234724161206
Energy: 1.2123791562805502
Energy: 1.0652127238035547
Energy: 1.1102287431415174
Energy: 1.065212723803018
Energy: 1.1102287431447355
Energy: 1.0652127238046274
Energy: 1.1102287431415174
Energy: 1.0695824828951839
Energy: 1.1059661416364155
Energy: 1.0695824828941114
Energy: 1.1059661416369515
Energy: 1.0695824828967933
Energy: 1.1059661416364155
Energy: 1.0582615169310008
Energy: 1.1979476947206176
Energy: 1.0582615169299279
Energy: 1.1979476947211538
Energy: 1.0582615169304646
Energy: 1.197947694716863
Energy: 1.1764121796853872
Energy: 1.1429565287977281
Energy: 1.1764121796864602
Energy: 1.1429565287950463
Energy: 1.176412179685924
Energy: 1.1429565287982644
Energy: 1.043924220223305
Energy: 1.4070271497557436
Energy: 1.0439242202238417
Energy: 1.2035748222233162
Energy: 1.043924220223305
Energy: 1.2035748222211708
Energy: 1.083837653580934
Energy: 1.1060379606443553
Energy: 1.0838376535830796
Energy: 1.106037960643819
Energy: 1.0838376535825431
Energy: 1.106037960643819
Energy: 1.117039118330187
Energy: 1.2885090805507537
Energy: 1.117039118330187
Energy: 1.288509080558799
Energy: 1.1170391183323325
Energy: 1.2885090805620174
Energy: 1.2007700484407782
Energy: 1.1267196488094828
Energy: 1.2007700484407782
Energy: 1.1267196488084097
Energy: 1.2007700484397053
Energy: 1.1267196488073372
Energy: 1.1702533296682835
Energy: 1.1112578908514141
Energy: 1.1702533296688198
Energy: 1.1112578908519504
Energy: 1.170253329669356
Energy: 1.1112578908503412
Energy: 1.086660666331264
Energy: 1.127591504662759
Energy: 1.086660666330191
Energy: 1.127591504659541
Energy: 1.0866606663296547
Energy: 1.1275915046622227
Energy: 1.1338070293094453
Energy: 1.2721016619320025
Energy: 1.1338070293078362
Energy: 1.2721016588138512
Energy: 1.133807029306227
Energy: 1.2721016587972727
Energy: 1.174499790195647
Energy: 1.1157167420893168
Energy: 1.1744997901940382
Energy: 1.1157167420887804
Energy: 1.17449979019672
Energy: 1.1157167420893168
Energy: 1.0435141750903896
Energy: 1.199541955655012
Energy: 1.0435141750909258
Energy: 1.1995419556517937
Energy: 1.0435141750914623
Energy: 1.1995419556534028
Energy: 1.0438480217831574
Energy: 1.142800242406115
Energy: 1.0438480217815482
Energy: 1.142800242412015
Energy: 1.0438480217831574
Energy: 1.142800242413624
Energy: 1.106334443116727
Energy: 1.1918324766799113
Energy: 1.106334443116727
Energy: 1.191832476685275
Energy: 1.106334443116727
Energy: 1.1918324766847388
Energy: 1.0717026189361374
Energy: 1.1158522900457217
Energy: 1.0717026189366738
Energy: 1.1158522900462582
Energy: 1.0717026189361374
Energy: 1.1158522900457217
Energy: 1.1292319460596414
Energy: 1.1955235510660245
Energy: 1.1292319460591052
Energy: 1.1955235510660245
Energy: 1.1292319460591052
Energy: 1.1955235510670972
Energy: 1.1682052663780103
Energy: 1.1297304622317819
Energy: 1.1682052663758649
Energy: 1.1297304622312456
Energy: 1.1682052663764009
Energy: 1.1297304622323185
Energy: 1.2648860978415637
Energy: 1.1397175892035123
Energy: 1.2648860978399545
Energy: 1.1397175892056577
Energy: 1.2648860978388818
Energy: 1.1397175892019031
Energy: 1.065686812109557
Energy: 1.1108618797358671
Energy: 1.0656868121100933
Energy: 1.1108618797369396
Energy: 1.0656868121100933
Energy: 1.110861879734258
Energy: 1.1335553416224766
Energy: 1.1712792420616254
Energy: 1.133555341623013
Energy: 1.1712792420621616
Energy: 1.1335553416224766
Energy: 1.1712792420610891
Energy: 1.0437369597981256
Energy: 1.1259267065426175
Energy: 1.0437369597976378
Energy: 1.1259267065442269
Energy: 1.0437369597960289
Energy: 1.1259267065377903

minimum gb energy = 1.0435141750903896 eV
minimum distance =  2.37396487358224 Angstroms
sigma value = 33


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

Energy: 1.294631052429218
Energy: 1.1868674536602615
Energy: 1.2946310524273696
Energy: 1.1868674536598507
Energy: 1.2946310524247007
Energy: 1.186867453658345
Energy: 1.320637506546746
Energy: 1.090980773663857
Energy: 1.3206375065452403
Energy: 1.090980773663857
Energy: 1.3206375065437344
Energy: 1.090980773663857
Energy: 1.2345226802220817
Energy: 1.3237657329748727
Energy: 1.2345226802367284
Energy: 1.3237657329748727
Energy: 1.2345226802261882
Energy: 1.3237657329748727
Energy: 1.1881957235538723
Energy: 1.160735402015165
Energy: 1.1881957235606482
Energy: 1.160735402015165
Energy: 1.1881957235580474
Energy: 1.1607354020155756
Energy: 1.2004463303318078
Energy: 1.2480349655133762
Energy: 1.2004463303336559
Energy: 1.2480349655378098
Energy: 1.2004463303340662
Energy: 1.2480349655235057
Energy: 1.2214625917710868
Energy: 1.1849044251618148
Energy: 1.2214625917748514
Energy: 1.1849044251618148
Energy: 1.2214625917710868
Energy: 1.1849044251618148
Energy: 1.1707370750644461
Energy: 1.2719947407411523
Energy: 1.1707370750644461
Energy: 1.2719947407396466
Energy: 1.1707370750640353
Energy: 1.2719947407415628
Energy: 1.221461811486437
Energy: 1.2223247956833303
Energy: 1.2214618114856841
Energy: 1.2223247956844938
Energy: 1.2214618114876006
Energy: 1.2223247956844938
Energy: 1.344256309946084
Energy: 1.2245977571759452
Energy: 1.3442563099494376
Energy: 1.224597757175603
Energy: 1.3442563099468368
Energy: 1.2245977571763558
Energy: 1.309445994471011
Energy: 1.1576477692279101
Energy: 1.3094459944642354
Energy: 1.1576477692279101
Energy: 1.3094459944687526
Energy: 1.1576477692279101
Energy: 1.2289683630650325
Energy: 1.2225641349374454
Energy: 1.228968363065443
Energy: 1.2225641349385403
Energy: 1.2289683630646902
Energy: 1.2225641349377876
Energy: 1.18846129353947
Energy: 1.1614342528323351
Energy: 1.1884612935485044
Energy: 1.1614342528319248
Energy: 1.1884612935428922
Energy: 1.1614342528315824
Energy: 1.22490495158138
Energy: 1.204253812134523
Energy: 1.2249049515836383
Energy: 1.2042538120991388
Energy: 1.2249049515832962
Energy: 1.2042538121285002
Energy: 1.2214995822537804
Energy: 1.2211640607174
Energy: 1.2214995822519326
Energy: 1.2211640607151413
Energy: 1.2214995822556967
Energy: 1.2211640607151413
Energy: 1.2441776200127648
Energy: 1.164421136155182
Energy: 1.2441776200135177
Energy: 1.1644211361540187
Energy: 1.2441776200131756
Energy: 1.1644211361540187
Energy: 1.1574685708103456
Energy: 1.321690177941076
Energy: 1.157468570810756
Energy: 1.3216901779377224
Energy: 1.157468570810756
Energy: 1.3216901779440875
Energy: 1.234621496581211
Energy: 1.1309549980203895
Energy: 1.2346214965786102
Energy: 1.1309549980196367
Energy: 1.2346214965774467
Energy: 1.1309549980203895
Energy: 1.1511278512700824
Energy: 1.191196761074462
Energy: 1.1511278512685765
Energy: 1.1911967610714504
Energy: 1.1511278512689873
Energy: 1.191196761073709
Energy: 1.331100880780505
Energy: 1.1869520679611654
Energy: 1.3311008807800941
Energy: 1.1869520679619183
Energy: 1.3311008807800941
Energy: 1.186952067961576
Energy: 1.1280952897009762
Energy: 1.181130838439539
Energy: 1.128095289698307
Energy: 1.181130838439539
Energy: 1.1280952897009762
Energy: 1.1811308384433032
Energy: 1.1330645593324806
Energy: 1.2265576812845316
Energy: 1.1330645593324806
Energy: 1.226557681283026
Energy: 1.133064559334397
Energy: 1.2265576812837786
Energy: 1.1217370164790041
Energy: 1.2807309546673742
Energy: 1.1217370164812626
Energy: 1.2807309546655266
Energy: 1.1217370164805098
Energy: 1.2807309546673742
Energy: 1.2435682215547774
Energy: 1.1039288991692102
Energy: 1.2435682215525188
Energy: 1.1039288991684573
Energy: 1.2435682215495074
Energy: 1.1039288991703737
Energy: 1.1291290256360418
Energy: 1.2328838470871906
Energy: 1.1291290256348783
Energy: 1.2328838470909549
Energy: 1.1291290256341253
Energy: 1.2328838470913654
Energy: 1.2096464649785623
Energy: 1.1303967999531546
Energy: 1.209646464981574
Energy: 1.1303967999534967
Energy: 1.2096464649838325
Energy: 1.130396799950896
Energy: 1.1755710851309331
Energy: 1.2213667175423324
Energy: 1.1755710851324388
Energy: 1.2213667175434275
Energy: 1.1755710851316858
Energy: 1.2213667175419216
Energy: 1.2806624512116696
Energy: 1.1786409434372358
Energy: 1.280662451212012
Energy: 1.1786409434368939
Energy: 1.280662451211259
Energy: 1.1786409434379885
Energy: 1.2258183512629297
Energy: 1.132013668539053
Energy: 1.2258183512647776
Energy: 1.132013668537958
Energy: 1.225818351265941
Energy: 1.1320136685398061
Energy: 1.1818383906893968
Energy: 1.2331946965704854
Energy: 1.181838390682621
Energy: 1.233194696573839
Energy: 1.1818383906871381
Energy: 1.233194696569322
Energy: 1.1488334722640923
Energy: 1.3093316430777913
Energy: 1.148833472264845
Energy: 1.3093316430774489
Energy: 1.1488334722640923
Energy: 1.3093316430789548
Energy: 1.1865348289976998
Energy: 1.1426009239466441
Energy: 1.1865348289976998
Energy: 1.1426009239458912
Energy: 1.1865348289988635
Energy: 1.1426009239455488
Energy: 1.1290509745670771
Energy: 1.2540413661232201
Energy: 1.1290509745655715
Energy: 1.2540413661152807
Energy: 1.1290509745655715
Energy: 1.2540413661152807
Energy: 1.1266953748877728
Energy: 1.1587146924298661
Energy: 1.1266953748829134
Energy: 1.1587146924280183
Energy: 1.1266953748862671
Energy: 1.1587146924261018
Energy: 1.2353965518821626
Energy: 1.254145691919667
Energy: 1.2353965518832577
Energy: 1.2541456919192564
Energy: 1.2353965518821626
Energy: 1.254145691918914
Energy: 1.2362910162169656
Energy: 1.2540679298875268
Energy: 1.2362910162162126
Energy: 1.254067929887869
Energy: 1.2362910162158707
Energy: 1.254067929887869
Energy: 1.1269401180517316
Energy: 1.158650874954934
Energy: 1.1269401180502256
Energy: 1.1586508749530176
Energy: 1.1269401180498835
Energy: 1.158650874954934
Energy: 1.129015825849366
Energy: 1.2539657409337428
Energy: 1.1290158258478604
Energy: 1.253965740940108
Energy: 1.1290158258489555
Energy: 1.2539657409232028
Energy: 1.18657594676886
Energy: 1.1428411393047928
Energy: 1.1865759467703656
Energy: 1.1428411393052036
Energy: 1.1865759467700234
Energy: 1.1428411393052036
Energy: 1.1488373967431733
Energy: 1.3094403153597312
Energy: 1.1488373967450216
Energy: 1.3094403153585679
Energy: 1.1488373967450216
Energy: 1.3094403153612368
Energy: 1.1814862885381778
Energy: 1.232991671761826
Energy: 1.1814862885558357
Energy: 1.2329916717580616
Energy: 1.1814862885558357
Energy: 1.23299167176032
Energy: 1.225838060586138
Energy: 1.1311363035779476
Energy: 1.2258380605846324
Energy: 1.1311363035783584
Energy: 1.2258380605865487
Energy: 1.131136303579111
Energy: 1.2806949111516448
Energy: 1.1787963522229705
Energy: 1.2806949111493864
Energy: 1.178796352221807
Energy: 1.280694911149044
Energy: 1.1787963522225602
Energy: 1.1755738715981494
Energy: 1.2211298940111155
Energy: 1.1755738715992445
Energy: 1.2211298940081043
Energy: 1.1755738715981494
Energy: 1.2211298940111155
Energy: 1.246442716803405
Energy: 1.130401875573994
Energy: 1.2464427168067587
Energy: 1.1304018755743361
Energy: 1.2464427168056635
Energy: 1.130401875575089
Energy: 1.1291179226194492
Energy: 1.2331165677358507
Energy: 1.1291179226232135
Energy: 1.2331165677339344
Energy: 1.129117922620955
Energy: 1.2331165677346871
Energy: 1.243646137096289
Energy: 1.103836645152075
Energy: 1.2436461370993006
Energy: 1.1038366451509114
Energy: 1.2436461370977947
Energy: 1.103836645152075
Energy: 1.1217560076529651
Energy: 1.2804951174879413
Energy: 1.1217560076514597
Energy: 1.2804951174891048
Energy: 1.121756007652623
Energy: 1.280495117487599

minimum gb energy = 1.090980773663857 eV
minimum distance =  2.36548674081748 Angstroms
sigma value = 67


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

Energy: 1.4145061398656211
Energy: 1.2686249950278514
Energy: 1.4145061398623622
Energy: 1.2686249950253357
Energy: 1.4145061398678798
Energy: 1.2686249950253357
Energy: 1.3104129239085445
Energy: 1.1425327980763758
Energy: 1.3104129239052853
Energy: 1.1425327980788917
Energy: 1.3104129239062858
Energy: 1.1425327980788917
Energy: 1.1565653708204389
Energy: 1.4916272396593118
Energy: 1.1565653710819663
Energy: 1.491627239658826
Energy: 1.1565653709260446
Energy: 1.4916272396583112
Energy: 1.3102455329514873
Energy: 1.142529356714945
Energy: 1.3102455329512297
Energy: 1.142529356714945
Energy: 1.3102455329510012
Energy: 1.1425293567124293
Energy: 1.4145061398678798
Energy: 1.2686249950253357
Energy: 1.4145061398663645
Energy: 1.2686249950253357
Energy: 1.4145061398661358
Energy: 1.2686249950253357
Energy: 1.3104129239060287
Energy: 1.1425327980763758
Energy: 1.3104129239100595
Energy: 1.1425327980763758
Energy: 1.3104129239035127
Energy: 1.1425327980763758
Energy: 1.1565653714264579
Energy: 1.491627239655052
Energy: 1.1565653717936202
Energy: 1.4916272396547947
Energy: 1.1565653716980488
Energy: 1.4916272396545378

minimum gb energy = 1.1425293567124293 eV
minimum distance =  2.37022187155742 Angstroms
sigma value = 3


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

Energy: 1.6082100376857296
Energy: 1.505287305308456
Energy: 1.6082100376857296
Energy: 1.505287305308456
Energy: 1.6082100376857296
Energy: 1.5052873053050326
Energy: 1.4514358827720935
Energy: 1.3026325678093964
Energy: 1.45143588276867
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Energy: 1.382038733698121
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Energy: 1.436147009247216
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Energy: 1.438256416605201
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Energy: 1.4329244327855994
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Energy: 1.4185868370824388
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Energy: 1.4204918027983813
Energy: 1.3638052106185485
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Energy: 1.363745521365045
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Energy: 1.3810415313670708
Energy: 1.3795575770676731
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Energy: 1.3359788260106997
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Energy: 1.297216423853675
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Energy: 1.2967267683553891
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Energy: 1.2961997634195765
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Energy: 1.5356734354585178
Energy: 1.2711436538454643
Energy: 1.5356734354585178
Energy: 1.2711436538454643
Energy: 1.5356734354585178
Energy: 1.4118049167133073
Energy: 1.3790173703613426
Energy: 1.412695180521704
Energy: 1.3790173703647663
Energy: 1.414388586303746
Energy: 1.3790173703647663
Energy: 1.3511167774613912
Energy: 1.2882094654613243
Energy: 1.3511167774716617
Energy: 1.304896999386634
Energy: 1.3511167774716617
Energy: 1.3022678091545823
Energy: 1.636644652839326
Energy: 1.2979183001253878
Energy: 1.6366446528324787
Energy: 1.2979183001253878
Energy: 1.636644652839326
Energy: 1.2979183001253878
Energy: 1.3581487835886807
Energy: 1.3754857170629549
Energy: 1.3581414205015447
Energy: 1.3754857170663783
Energy: 1.3581224498092435
Energy: 1.3754857170629549
Energy: 1.4202034358583042
Energy: 1.3065534941075592
Energy: 1.4261359199242416
Energy: 1.3065534941075592
Energy: 1.4279094683754272
Energy: 1.3065534941075592
Energy: 1.436265822098246
Energy: 1.4264138741839376
Energy: 1.436265822091399
Energy: 1.4264138741839376
Energy: 1.436265822091399
Energy: 1.4264138741839376
Energy: 1.535827985346125
Energy: 1.34037426051965
Energy: 1.5358279853495485
Energy: 1.34037426051965
Energy: 1.535827985346125
Energy: 1.3403742605162265
Energy: 1.4452500463264992
Energy: 1.3751163568041522
Energy: 1.2563785948866255
Energy: 1.3751163568007285
Energy: 1.256109738653145
Energy: 1.3751163568007285
Energy: 1.4257513237002664
Energy: 1.389849322741281
Energy: 1.4256329168356396
Energy: 1.302884169032468
Energy: 1.427579459526865
Energy: 1.3028192600288016
Energy: 1.350812626773924
Energy: 1.2941793902680807
Energy: 1.3508126267773475
Energy: 1.2920049891152994
Energy: 1.3508126267773475
Energy: 1.2918544178261744
Energy: 1.447996795374004
Energy: 1.374839454907235
Energy: 1.447996795374004
Energy: 1.374839454907235
Energy: 1.447996795374004
Energy: 1.374839454907235
Energy: 1.3391384960251722
Energy: 1.3755181339685494
Energy: 1.3395305623740486
Energy: 1.375518133965126
Energy: 1.339913769823202
Energy: 1.3755181339685494

minimum gb energy = 1.256109738653145 eV
minimum distance =  2.3437226614419 Angstroms
sigma value = 81


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

Energy: 1.8103309711329536
Energy: 1.6877685299754512
Energy: 1.4985690157752014
Energy: 1.6877685299745115
Energy: 1.8103303837205231
Energy: 1.6877685299773306
Energy: 1.6937094881816404
Energy: 1.685506733046295
Energy: 1.693709488131876
Energy: 1.6855067330453548
Energy: 1.6937094880600274
Energy: 1.6855067330495839
Energy: 1.589316776902043
Energy: 1.2997224984927216
Energy: 1.6865016930738332
Energy: 1.2997224984931914
Energy: 1.5893167769006336
Energy: 1.2997224984964808
Energy: 1.4854401046611416
Energy: 1.6910551932160292
Energy: 1.485440104658322
Energy: 1.6910551876142648
Energy: 1.4854401046606716
Energy: 1.6910551800962934
Energy: 1.6610819314942182
Energy: 1.4085275638964156
Energy: 1.6610742398341958
Energy: 1.4085275638978252
Energy: 1.6610528322682625
Energy: 1.4085275638931263
Energy: 1.6115610715419881
Energy: 1.4854685444246432
Energy: 1.6115610715537352
Energy: 1.4854685444260527
Energy: 1.6115610715448077
Energy: 1.4854685444232336
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Energy: 1.4700194161262945
Energy: 1.5064900394924683
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Energy: 1.5957563693254309
Energy: 1.620431761651394
Energy: 1.5957563692286787
Energy: 1.3042135124335659
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Energy: 1.7228722666474436
Energy: 1.6727316378028025
Energy: 1.7228722666563716
Energy: 1.6727316378028025
Energy: 1.7228722666559018
Energy: 1.6727316377976336
Energy: 1.3141422335334938
Energy: 1.3049750710482988
Energy: 1.2871448227612552
Energy: 1.3049750710482988
Energy: 1.287508029958657
Energy: 1.3049750710511179
Energy: 1.5714313551848822
Energy: 1.57578011462227
Energy: 1.5714313551876589
Energy: 1.5757801146236798
Energy: 1.5714313551853518
Energy: 1.5757801146335473
Energy: 1.6606082829988529
Energy: 1.4253461217666525
Energy: 1.6606079537193716
Energy: 1.4253461217661827
Energy: 1.6606031434439692
Energy: 1.4253461217666525
Energy: 1.7271108496972183
Energy: 1.5296702870082308
Energy: 1.7260515805062393
Energy: 1.5296702870063512
Energy: 1.7271060231726891
Energy: 1.529670287026086
Energy: 1.5765810231689523
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Energy: 1.3000047465104407
Energy: 1.4951759898866015
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Energy: 1.3000047465123203
Energy: 1.4951759898861317
Energy: 1.6884640255966479
Energy: 1.2977685751918406
Energy: 1.6883082115500903
Energy: 1.2974868260345225
Energy: 1.688263247535987
Energy: 1.2907570533240091
Energy: 1.404245061032188
Energy: 1.6631402618056987
Energy: 1.4042450610340675
Energy: 1.6535697810313468
Energy: 1.4042450610331279
Energy: 1.6536109692834076
Energy: 1.6976444552583103
Energy: 1.6826803903530008
Energy: 1.3692280106452943
Energy: 1.682680390352531
Energy: 1.6976444552583103
Energy: 1.6826803903501815
Energy: 1.696297710512406
Energy: 1.308582391300942
Energy: 1.3731076854675501
Energy: 1.3085823913000023
Energy: 1.6962977105119361
Energy: 1.3085823913028216
Energy: 1.6368965231223178
Energy: 1.6519106071523908
Energy: 1.6368962562910623
Energy: 1.6519106071528606
Energy: 1.6368959876300144
Energy: 1.6519106071570895
Energy: 1.2862143946777673
Energy: 1.5566711593249019
Energy: 1.2872952340123573
Energy: 1.5567740365792078
Energy: 1.2876345508412457
Energy: 1.5562244201217603
Energy: 1.570622501347434
Energy: 1.695519740643294
Energy: 1.5706225013493134
Energy: 1.6949329712880923
Energy: 1.5706225013502533
Energy: 1.6945742358256466
Energy: 1.5760892460176847
Energy: 1.4713293130331817
Energy: 1.5760892460153355
Energy: 1.4713293130331817
Energy: 1.5760892460153355
Energy: 1.4713293130280132
Energy: 1.7256884631942973
Energy: 1.4919623208900021
Energy: 1.7267371423018971
Energy: 1.4919623209219537
Energy: 1.7256884631957068
Energy: 1.4919623208693273
Energy: 1.6600762979906656
Energy: 1.7112820777301159
Energy: 1.6483258053744148
Energy: 1.7112820777315256
Energy: 1.6489685084908878
Energy: 1.7112820777249476
Energy: 1.3026417035944784
Energy: 1.421145255923135
Energy: 1.302641703599177
Energy: 1.4211452559250144
Energy: 1.3026417035940083
Energy: 1.4211452559132676
Energy: 1.6911023849695228
Energy: 1.5682190540454024
Energy: 1.6911023843377926
Energy: 1.568219054042626
Energy: 1.6911023826423002
Energy: 1.5682190540402765
Energy: 1.4074260923430402
Energy: 1.663617642079997
Energy: 1.4074260923444073
Energy: 1.6635629598401538
Energy: 1.4074260923435102
Energy: 1.6520442561813207
Energy: 1.3036604548717017
Energy: 1.5295462598024514
Energy: 1.6210735073212952
Energy: 1.5287828641409351
Energy: 1.3036604548717017
Energy: 1.529790527349421
Energy: 1.2980081248874078
Energy: 1.3191661636962473
Energy: 1.6191813956830454
Energy: 1.3191661636962473
Energy: 1.2980081248878779
Energy: 1.319166163700946
Energy: 1.2969552866863607
Energy: 1.810101563145397
Energy: 1.80926008187666
Energy: 1.8101015631463369
Energy: 1.2969552866844811
Energy: 1.810101563145397
Energy: 1.259142268896936
Energy: 1.5038099457067222
Energy: 1.2594199143202316
Energy: 1.5261650542089824
Energy: 1.259521437071366
Energy: 1.5261521379462295
Energy: 1.6598374172037345
Energy: 1.4255988469593166
Energy: 1.6486326078950184
Energy: 1.4255988469607261
Energy: 1.6489565638479522
Energy: 1.4255988469597864
Energy: 1.6798128892858135
Energy: 1.484207561661858
Energy: 1.679812889288633
Energy: 1.4842075617078634
Energy: 1.6798128892858135
Energy: 1.484207561642123

minimum gb energy = 1.259142268896936 eV
minimum distance =  2.25586414310491 Angstroms
sigma value = 43


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

Energy: 1.5896390278459949
Energy: 1.5065106192577085
Energy: 1.5896390278494577
Energy: 1.5065106192588626
Energy: 1.5896390278609747
Energy: 1.5065106192582856
Energy: 1.432034490286237
Energy: 1.3327040690323475
Energy: 1.4320344902827742
Energy: 1.3327040690317706
Energy: 1.4320344902839284
Energy: 1.3327040690317706
Energy: 1.517060509985622
Energy: 1.599371361327996
Energy: 1.5170605099810048
Energy: 1.5993713613268414
Energy: 1.5170605099786962
Energy: 1.5993713613274185
Energy: 1.3717509891147903
Energy: 1.3851878327891507
Energy: 1.3717509891142132
Energy: 1.385187733295492
Energy: 1.3717509891136361
Energy: 1.38518753852358
Energy: 1.4944318646885169
Energy: 1.3953050670914853
Energy: 1.4944318646885169
Energy: 1.3957210659432777
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Energy: 1.396050535927055
Energy: 1.4354097506672718
Energy: 1.4346473672145186
Energy: 1.3642993795006892
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Energy: 1.564368163614258
Energy: 1.5093088218781965
Energy: 1.5643681636148352
Energy: 1.5093088218810822
Energy: 1.5643681636148352
Energy: 1.5093088218822368
Energy: 1.413288268293276
Energy: 1.3097611615909013
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Energy: 1.3106018070501484
Energy: 1.4132882682926986
Energy: 1.3107360984643548
Energy: 1.5176826873604388
Energy: 1.3060549367781393
Energy: 1.4737452926049128
Energy: 1.3060549367781393
Energy: 1.4732699290175013
Energy: 1.3060549367787164
Energy: 1.3435480289829458
Energy: 1.4403165567295673
Energy: 1.3435480229323509
Energy: 1.440316556731299
Energy: 1.3435480062667051
Energy: 1.440316556730722
Energy: 1.5994765848450778
Energy: 1.3922139867703043
Energy: 1.5994765848445007
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Energy: 1.5994765848445007
Energy: 1.3922139867703043
Energy: 1.4131958846143144
Energy: 1.4085072755164743
Energy: 1.41319588461316
Energy: 1.4086839009320755
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Energy: 1.4087773777006913
Energy: 1.4879212597919231
Energy: 1.435857955625155
Energy: 1.4885438398488087
Energy: 1.4358579556268865
Energy: 1.4880127828752432
Energy: 1.435857955621692
Energy: 1.2790809023647722
Energy: 1.6692737515205822
Energy: 1.2790809023676581
Energy: 1.6692737515211595
Energy: 1.2790809023676581
Energy: 1.6692737515211595
Energy: 1.3639942193384385
Energy: 1.3102073452134355
Energy: 1.363994219337284
Energy: 1.3053792515672136
Energy: 1.363994219337861
Energy: 1.305144495865951
Energy: 1.3674581250830884
Energy: 1.3075748796216362
Energy: 1.3675205073607115
Energy: 1.3121347419858898
Energy: 1.3677553201911847
Energy: 1.312302949259937
Energy: 1.3713019114755023
Energy: 1.3686214989233678
Energy: 1.3758444880856897
Energy: 1.368621498922817
Energy: 1.3767887888107904
Energy: 1.3686214989210854
Energy: 1.698038925667816
Energy: 1.4746598199536733
Energy: 1.698038925668393
Energy: 1.4746598199536733
Energy: 1.698038925667816
Energy: 1.4746598199536733
Energy: 1.606461515218529
Energy: 1.4354756829988948
Energy: 1.6064615152173751
Energy: 1.4354756829988948
Energy: 1.6064615152144892
Energy: 1.4354756829988948
Energy: 1.4054952410818715
Energy: 1.4257307214671666
Energy: 1.3820931285878146
Energy: 1.4257307214665893
Energy: 1.3821898575131752
Energy: 1.4257307214671666
Energy: 1.3682433877296627
Energy: 1.393426029222386
Energy: 1.3684851469405976
Energy: 1.393426029222386
Energy: 1.3686643364281192
Energy: 1.393426029222963
Energy: 1.5049621639583224
Energy: 1.2788819214630602
Energy: 1.5049621639583224
Energy: 1.2788631860191637
Energy: 1.5049621639554367
Energy: 1.279147270892296
Energy: 1.2778729588147204
Energy: 1.4501621540452525
Energy: 1.2778729588118347
Energy: 1.4501621540452525
Energy: 1.277872958812989
Energy: 1.4501621540521785
Energy: 1.4875530980571197
Energy: 1.4350812675082045
Energy: 1.4877690406560824
Energy: 1.4350812675087816
Energy: 1.4856806470222628
Energy: 1.4350812675082045
Energy: 1.4107611593431078
Energy: 1.4355959917359915
Energy: 1.4107611593425304
Energy: 1.4355959917365688
Energy: 1.4107611593425304
Energy: 1.435595991737146
Energy: 1.5044407011501233
Energy: 1.4973390397695223
Energy: 1.5044407011495464
Energy: 1.4973390397689452
Energy: 1.5044407011507006
Energy: 1.4973390397700999
Energy: 1.4201336135143332
Energy: 1.332748953662625
Energy: 1.234031688813751
Energy: 1.332748953662625
Energy: 1.234406419761005
Energy: 1.3327489536620478
Energy: 1.3901776268011166
Energy: 1.3053155837327872
Energy: 1.4014983790574491
Energy: 1.3053155837322103
Energy: 1.3938480397725437
Energy: 1.305315583731633
Energy: 1.4112131930551435
Energy: 1.3097596023398255
Energy: 1.4112131930562979
Energy: 1.3104877716569172
Energy: 1.4112131930545664
Energy: 1.310983068778709
Energy: 1.5323181812220923
Energy: 1.5647193532677033
Energy: 1.5323181812215152
Energy: 1.5647193532677033
Energy: 1.5323181812215152
Energy: 1.564719353267126
Energy: 1.363122230648189
Energy: 1.4351539131031252
Energy: 1.36310687409444
Energy: 1.4351539131037023
Energy: 1.363140147607675
Energy: 1.4351539131031252

minimum gb energy = 1.234031688813751 eV
minimum distance =  2.36666249443839 Angstroms
sigma value = 57


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

Energy: 1.551581037141267
Energy: 1.4259236570371374
Energy: 1.5515810371405199
Energy: 1.4259236570371374
Energy: 1.5515810371427279
Energy: 1.4259236570378846
Energy: 1.4896602493577562
Energy: 1.2615688090137207
Energy: 1.4896602493577562
Energy: 1.2615688090129733
Energy: 1.4896602493562618
Energy: 1.2615688090137207
Energy: 1.532358142729941
Energy: 1.6486143110527973
Energy: 1.532358142387847
Energy: 1.6486143110527973
Energy: 1.5323581416909213
Energy: 1.6486143110527973
Energy: 1.4549277446773943
Energy: 1.2361391854685555
Energy: 1.45492774581054
Energy: 1.2363757997456908
Energy: 1.454927744678889
Energy: 1.2600704217070684
Energy: 1.407101913424497
Energy: 1.2470237763885228
Energy: 1.4071019134274865
Energy: 1.2477754921629565
Energy: 1.4071019134274865
Energy: 1.2490712292085384
Energy: 1.415435187259252
Energy: 1.3176715778490884
Energy: 1.2386112230096653
Energy: 1.3176715778475938
Energy: 1.2380860386899621
Energy: 1.3176715778475938
Energy: 1.4828145552208574
Energy: 1.4981599995517672
Energy: 1.4828145552208574
Energy: 1.4981599995323376
Energy: 1.4828145552193965
Energy: 1.4981599995271064
Energy: 1.454968364798969
Energy: 1.4377296416136194
Energy: 1.4549683647959797
Energy: 1.4377296416143666
Energy: 1.4549683647982217
Energy: 1.4377296416143666
Energy: 1.4342910932187416
Energy: 1.2607894111458648
Energy: 1.4342910932165338
Energy: 1.2607894111466122
Energy: 1.4342910932179944
Energy: 1.2607894111458648
Energy: 1.1720424190837688
Energy: 1.4882059214222139
Energy: 1.1720424190852634
Energy: 1.4882059214214665
Energy: 1.1720424190837688
Energy: 1.4882059214222139
Energy: 1.4826030359940001
Energy: 1.2487806600747253
Energy: 1.4826030359940001
Energy: 1.2482773023404685
Energy: 1.4826030359954947
Energy: 1.2479726184678925
Energy: 1.6428842277814382
Energy: 1.3519536162815722
Energy: 1.6428842277814382
Energy: 1.3539217912167305
Energy: 1.6428842277821856
Energy: 1.3551411301009835
Energy: 1.1806418450266196
Energy: 1.261057758535722
Energy: 1.1560541198007357
Energy: 1.2610577585372167
Energy: 1.1324881068911454
Energy: 1.261057758538711
Energy: 1.4907981951128915
Energy: 1.2598077313540457
Energy: 1.4907981952809664
Energy: 1.2598077313660023
Energy: 1.4907981950912197
Energy: 1.2598077313637606
Energy: 1.3192015410654394
Energy: 1.2589572117331904
Energy: 1.3192015410654394
Energy: 1.2589572117339378
Energy: 1.3192015410654394
Energy: 1.2589572117339378
Energy: 1.6416534725552803
Energy: 1.4941018570188414
Energy: 1.641653472556028
Energy: 1.4941018570195888
Energy: 1.6416534725575223
Energy: 1.4941018570180942
Energy: 1.173471979992223
Energy: 1.4450569536619924
Energy: 1.1734719799907283
Energy: 1.4450569536612452
Energy: 1.1734719799907283
Energy: 1.4450569536612452
Energy: 1.4810217170585993
Energy: 1.1330199865367365
Energy: 1.4810217170585993
Energy: 1.132966817722145
Energy: 1.4810217170585993
Energy: 1.1329170716961263
Energy: 1.1731026351734433
Energy: 1.4446253521785288
Energy: 1.1731026351734433
Energy: 1.4446253521777817
Energy: 1.1731026351689595
Energy: 1.4446253521777817
Energy: 1.6415900454791883
Energy: 1.494095172228976
Energy: 1.6415900454791883
Energy: 1.4940951722297233
Energy: 1.6415900454791883
Energy: 1.494095172231218
Energy: 1.3195434176607146
Energy: 1.258784907661536
Energy: 1.3195434176637038
Energy: 1.2587849076622835
Energy: 1.3195434176637038
Energy: 1.258784907661536
Energy: 1.491394066188246
Energy: 1.3773640323763805
Energy: 1.4913940660866474
Energy: 1.3773640323763805
Energy: 1.491394066140419
Energy: 1.3773640323756333
Energy: 1.1814697176115005
Energy: 1.2607951884118318
Energy: 1.132289412046348
Energy: 1.2607951884103372
Energy: 1.1318436051727432
Energy: 1.2607951884110844
Energy: 1.6427429417977626
Energy: 1.3484209710081239
Energy: 1.6427429417970154
Energy: 1.3498568680520138
Energy: 1.6427429417970154
Energy: 1.3505240662960387

minimum gb energy = 1.1318436051727432 eV
minimum distance =  2.3817132696912 Angstroms
sigma value = 17


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

Energy: 1.3207903541703285
Energy: 1.4429251224161241
Energy: 1.3207903541713857
Energy: 1.4429251224161241
Energy: 1.3207903541713857
Energy: 1.4429251224161241
Energy: 1.2758571562102046
Energy: 1.251346676097539
Energy: 1.2758571562102046
Energy: 1.2513466760964818
Energy: 1.2758571562102046
Energy: 1.2513466760964818
Energy: 1.5410611646721797
Energy: 1.5158721624901792
Energy: 1.5410447682797894
Energy: 1.5158721624901792
Energy: 1.5407900616508765
Energy: 1.5158721624891223
Energy: 1.140806506025251
Energy: 1.2483162476143839
Energy: 1.140806506025251
Energy: 1.2487855041515605
Energy: 1.140806506025251
Energy: 1.2472428792618355
Energy: 1.4620682752288898
Energy: 1.343685330687659
Energy: 1.4620682744091162
Energy: 1.3434570292991426
Energy: 1.4620682721770162
Energy: 1.343355970941785
Energy: 1.1315826449603013
Energy: 1.5058327280920056
Energy: 1.1342058910806965
Energy: 1.5058327280920056
Energy: 1.1349247166457734
Energy: 1.5058327280920056
Energy: 1.2127553736875203
Energy: 1.3033885258583717
Energy: 1.2127553736875203
Energy: 1.303388525857315
Energy: 1.2127553736864636
Energy: 1.3033885258583717
Energy: 1.1404900608835455
Energy: 1.3850812173783358
Energy: 1.1404900608824888
Energy: 1.3850812173772789
Energy: 1.1404900608824888
Energy: 1.3850812173719946
Energy: 1.1262540470592526
Energy: 1.2488823786896794
Energy: 1.125834358962745
Energy: 1.2488823786907366
Energy: 1.1257522432489822
Energy: 1.2488823786896794
Energy: 1.3454142697644045
Energy: 1.2692337474052182
Energy: 1.3454142697644045
Energy: 1.269233747404161
Energy: 1.3454142697644045
Energy: 1.269233747406275
Energy: 1.3212734389322218
Energy: 1.2436575035608144
Energy: 1.3212734389322218
Energy: 1.243657503561871
Energy: 1.3212734389322218
Energy: 1.2436575035639847
Energy: 1.2913205293380938
Energy: 1.2485094877931553
Energy: 1.2913205293306962
Energy: 1.2485094877920988
Energy: 1.2913205293170051
Energy: 1.2485094877931553
Energy: 1.1415631535637476
Energy: 1.3754679255858309
Energy: 1.1415631535637476
Energy: 1.3754679255858309
Energy: 1.1415631535637476
Energy: 1.3754679255858309
Energy: 1.3431601136672662
Energy: 1.0703526075162142
Energy: 1.3431601136672662
Energy: 1.0716531710122434
Energy: 1.3431601136672662
Energy: 1.0741522959768977
Energy: 1.2549239180873324
Energy: 1.184924417854268
Energy: 1.2481624793143118
Energy: 1.184924417853211
Energy: 1.2479126323820138
Energy: 1.184924417853211
Energy: 1.1253462057268204
Energy: 1.3794221140235319
Energy: 1.1294096740459805
Energy: 1.3794221140235319
Energy: 1.119456198214265
Energy: 1.3794221140235319
Energy: 1.3420393703745772
Energy: 1.4226765577191833
Energy: 1.3420393703756341
Energy: 1.4226765577191833
Energy: 1.3420393703756341
Energy: 1.4226765577202403

minimum gb energy = 1.0703526075162142 eV
minimum distance =  2.31127783502 Angstroms
sigma value = 17


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

Energy: 1.2808859389320109
Energy: 1.320538086670739
Energy: 1.1938448418645504
Energy: 1.3205380866674743
Energy: 1.2808859389450704
Energy: 1.3205380866609442
Energy: 1.269506524431421
Energy: 1.3425635674099912
Energy: 1.201827520841348
Energy: 1.3425635674116239
Energy: 1.2695037521447716
Energy: 1.3425635674136644
Energy: 1.413175238420166
Energy: 1.4011170837399889
Energy: 1.2718709149554794
Energy: 1.4011170837273375
Energy: 1.2125169068850807
Energy: 1.4011170837285616
Energy: 1.2387178493763258
Energy: 1.3933293392648103
Energy: 1.2374731303919255
Energy: 1.096949956296442
Energy: 1.238717849416321
Energy: 1.3933293325991445
Energy: 1.2205310196705397
Energy: 1.2809936414600427
Energy: 1.2205310196676828
Energy: 1.280993641467389
Energy: 1.2205310196566639
Energy: 1.2809936414661645
Energy: 1.4273462670204298
Energy: 1.2518084398542264
Energy: 1.4273583990736336
Energy: 1.2518084398656535
Energy: 1.427346267024511
Energy: 1.2518084398660616
Energy: 1.1905542748217615
Energy: 1.3750367665740577
Energy: 1.1905542748152316
Energy: 1.3750367665744656
Energy: 1.1905542748144153
Energy: 1.3750367665765064
Energy: 1.3571519305729862
Energy: 1.290729474469723
Energy: 1.3571516247659476
Energy: 1.2907294744787015
Energy: 1.3571510160415838
Energy: 1.2907294744766609
Energy: 1.3309407866041654
Energy: 1.2745674995407401
Energy: 1.3309407866127358
Energy: 1.274567499536251
Energy: 1.330940786609879
Energy: 1.274567499536251
Energy: 1.1907380309768594
Energy: 1.227677954267565
Energy: 1.1907380309748188
Energy: 1.2276779542753193
Energy: 1.1907380309703297
Energy: 1.2276779542753193
Energy: 1.252938871970985
Energy: 1.260509837331817
Energy: 1.2529388719726176
Energy: 1.2605098373403874
Energy: 1.2529388719722097
Energy: 1.2605098373338575
Energy: 1.502086916556889
Energy: 1.3329366155700588
Energy: 1.502086916556073
Energy: 1.3329366155676101
Energy: 1.5020869165540323
Energy: 1.3329366155672022
Energy: 1.353679623255491
Energy: 1.2601084149542117
Energy: 1.3536796232534507
Energy: 1.260108371386094
Energy: 1.353679623248553
Energy: 1.2601078446327518
Energy: 1.2896989315044594
Energy: 1.3220585918423085
Energy: 1.2896989315016028
Energy: 1.3220585918537355
Energy: 1.2896989315011944
Energy: 1.3220585918541439
Energy: 1.2637322906130106
Energy: 1.2846698948694113
Energy: 1.2563091638013055
Energy: 1.2846698948653301
Energy: 1.2558887490560804
Energy: 1.2846698948677788
Energy: 1.259911276189679
Energy: 1.274434775683331
Energy: 1.2599178501685504
Energy: 1.2744347756837389
Energy: 1.2599112761880467
Energy: 1.2744347756845553
Energy: 1.2902027155042604
Energy: 1.5023820760999311
Energy: 1.2902027154936493
Energy: 1.5023820760982984
Energy: 1.2902027154948739
Energy: 1.5023820760987066
Energy: 1.4888850475866235
Energy: 1.3778640678415746
Energy: 1.4888850475825424
Energy: 1.3778640678440233
Energy: 1.488885047588664
Energy: 1.3778640678403502
Energy: 1.3366644351928372
Energy: 1.2754892512608427
Energy: 1.336664435185491
Energy: 1.2754892512465958
Energy: 1.336664435145533
Energy: 1.2754892512478202
Energy: 1.2892820395700189
Energy: 1.368467104337079
Energy: 1.2892820395724678
Energy: 1.163133627874148
Energy: 1.2892820395814462
Energy: 1.1631336278431312
Energy: 1.3983049111853472
Energy: 1.2758939053444955
Energy: 1.3983049111661658
Energy: 1.2758939053440874
Energy: 1.398304911109475
Energy: 1.275893905342863
Energy: 1.3770230605708333
Energy: 1.2070186330692567
Energy: 1.377022971374101
Energy: 1.2070177637899275
Energy: 1.3770227318541923
Energy: 1.2066791312532656
Energy: 1.2897161901393048
Energy: 1.4248084395020368
Energy: 1.289716190140121
Energy: 1.4248084394910177
Energy: 1.2897161901446104
Energy: 1.4248084394910177
Energy: 1.2616677020140226
Energy: 1.3854034844117953
Energy: 1.2616677020115739
Energy: 1.3854034844252632
Energy: 1.2616677020074927
Energy: 1.3854034844260792
Energy: 1.2034579879122071
Energy: 1.2859443981995204
Energy: 1.2031368913996114
Energy: 1.2859443982007448
Energy: 1.2033457201974824
Energy: 1.2859443982060503
Energy: 1.3319281841955855
Energy: 1.3209593303788125
Energy: 1.2895158702835396
Energy: 1.320959330370242
Energy: 1.3319281841992583
Energy: 1.320959330380445
Energy: 1.3637766766311772
Energy: 1.3072361240227308
Energy: 1.2896229317553458
Energy: 1.307236124023139
Energy: 1.3637766766442367
Energy: 1.3072361240227308
Energy: 1.5225980682663165
Energy: 1.3323832148855903
Energy: 1.149420220815579
Energy: 1.3323832148790606
Energy: 1.522598068273254
Energy: 1.3323832148786525
Energy: 1.2529791906849985
Energy: 1.351188606211161
Energy: 1.2523153896605053
Energy: 1.3511886062018117
Energy: 1.2529791906858148
Energy: 1.351188606167122
Energy: 1.1906435878233765
Energy: 1.2227644820793069
Energy: 1.1906435878209278
Energy: 1.2227644820482901
Energy: 1.1906435878221524
Energy: 1.222764482161709
Energy: 1.389018842463505
Energy: 1.314598362328432
Energy: 1.389018842462689
Energy: 1.3145983623341455
Energy: 1.3890188424606482
Energy: 1.3145983623316968
Energy: 1.2887947121824712
Energy: 1.3840177074486335
Energy: 1.2887947121734928
Energy: 1.3840061500638323
Energy: 1.2887947121787982
Energy: 1.3840013292031912
Energy: 1.1839290172181465
Energy: 1.3043371170407916
Energy: 1.1839290172210033
Energy: 1.304337117042424
Energy: 1.183929017215698
Energy: 1.304337117041608
Energy: 1.3409064068534635
Energy: 1.19013645068102
Energy: 1.340906387091911
Energy: 1.1901364506989769
Energy: 1.340906327654358
Energy: 1.190136450698569
Energy: 1.239039667692529
Energy: 1.2686942175775604
Energy: 1.239039667689264
Energy: 1.268694217575928
Energy: 1.2390396677019155
Energy: 1.268694217575928
Energy: 1.2054806600813768
Energy: 1.4222080218935214
Energy: 1.2054806600883148
Energy: 1.422208021881278
Energy: 1.2054806600903554
Energy: 1.4222080218788293
Energy: 1.3542434346556542
Energy: 1.2744632336851363
Energy: 1.35423954636769
Energy: 1.2744632336843198
Energy: 1.354228606217969
Energy: 1.2744632336830954
Energy: 1.3145758975732507
Energy: 1.3066969456774689
Energy: 1.3145758975769235
Energy: 1.3066969456786932
Energy: 1.3145758975732507
Energy: 1.3066969456782849
Energy: 1.1938448418706353
Energy: 1.3205380866682905
Energy: 1.1938448418722678
Energy: 1.3205380866621685
Energy: 1.1938448418718595
Energy: 1.3205380866682905
Energy: 1.201827520848694
Energy: 1.256485358640626
Energy: 1.2018275208462452
Energy: 1.2564853586434825
Energy: 1.2018275208482858
Energy: 1.2564853586438909
Energy: 1.3279229948688167
Energy: 1.4012043080460992
Energy: 1.3275056023687632
Energy: 1.4012043080563021
Energy: 1.327035959120779
Energy: 1.401204308055486
Energy: 1.202378906133901
Energy: 1.3933293392799107
Energy: 1.2027216388192667
Energy: 1.3933293362130388
Energy: 1.2023789061318604
Energy: 1.393329332329529
Energy: 1.2205310196656423
Energy: 1.2794884620422127
Energy: 1.2205310196697234
Energy: 1.2794884620348665
Energy: 1.2205310196631936
Energy: 1.279488462033642

minimum gb energy = 1.096949956296442 eV
minimum distance =  2.23663407435163 Angstroms
sigma value = 57


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

Energy: 1.177181677002629
Energy: 1.1487688121641506
Energy: 1.1771816770032937
Energy: 1.1487688121641506
Energy: 1.1771816770046226
Energy: 1.148768812163486
Energy: 1.1399452283386617
Energy: 1.1268643882958649
Energy: 1.139945228330023
Energy: 1.1268643882952005
Energy: 1.1399452283280296
Energy: 1.1268643882958649
Energy: 1.2069723269451134
Energy: 1.2223725745257537
Energy: 1.206972324898004
Energy: 1.2223725745244247
Energy: 1.2069723176647071
Energy: 1.2223725745257537
Energy: 1.160693042733147
Energy: 1.2730526348754505
Energy: 1.160693042731818
Energy: 1.2730526348721278
Energy: 1.1606930427311535
Energy: 1.2730526348727924
Energy: 1.14220708682244
Energy: 1.067389535016824
Energy: 1.1422070868098144
Energy: 1.067389535017489
Energy: 1.142207086814466
Energy: 1.0673895350181533
Energy: 1.3056442273449251
Energy: 1.1353773761717425
Energy: 1.3056442273449251
Energy: 1.1353773761717425
Energy: 1.3056442273449251
Energy: 1.1353773761717425
Energy: 1.0930689485987477
Energy: 1.2335520483822644
Energy: 1.0930689485987477
Energy: 1.2335520483822644
Energy: 1.0930689486000766
Energy: 1.2335520483841973
Energy: 1.1653640598869817
Energy: 1.2020880735769897
Energy: 1.1653640598876462
Energy: 1.0923648082186102
Energy: 1.1653640598903041
Energy: 1.0928188864877257
Energy: 1.1643611064356465
Energy: 1.1375417067513125
Energy: 1.164361106436311
Energy: 1.1375417067513125
Energy: 1.1643611064356465
Energy: 1.137541706750648
Energy: 1.1535376065156213
Energy: 1.1863731157603719
Energy: 1.1535376065156213
Energy: 1.1863731157603719
Energy: 1.153537606516286
Energy: 1.1863731157617012
Energy: 1.0812168852909734
Energy: 1.209920709987861
Energy: 1.0812168852936317
Energy: 1.2099207099719127
Energy: 1.0812168852942963
Energy: 1.2099207099825446
Energy: 1.2145574341891214
Energy: 1.0928840996548685
Energy: 1.214557434188457
Energy: 1.0928840996535396
Energy: 1.214557434189786
Energy: 1.092884099654204
Energy: 1.149680982650726
Energy: 1.2283461087623668
Energy: 1.1496809826520549
Energy: 1.2283461087630314
Energy: 1.1496809826527195
Energy: 1.2283461087656893
Energy: 1.1051438507963556
Energy: 1.2080159737658849
Energy: 1.1051438507956912
Energy: 1.2080159737612335
Energy: 1.1051438507956912
Energy: 1.2080159737618978
Energy: 1.2871661790983426
Energy: 1.160981876171125
Energy: 1.2871661790970137
Energy: 1.1609818761704604
Energy: 1.2871661790936908
Energy: 1.1609818761678026
Energy: 1.1469402109330527
Energy: 1.1375788881690345
Energy: 1.1469402109317235
Energy: 1.13757888816837
Energy: 1.146940210931059
Energy: 1.1375788881710283
Energy: 1.1899291980734048
Energy: 1.2756431915777413
Energy: 1.1899291980747337
Energy: 1.2756431915784059
Energy: 1.1899291980727402
Energy: 1.2756431915784059
Energy: 1.1690991397055077
Energy: 1.2098091588145015
Energy: 1.1690991397015207
Energy: 1.2098091588131725
Energy: 1.1690991397015207
Energy: 1.2098091588145015
Energy: 1.1189040607699605
Energy: 1.1970608691960771
Energy: 1.118904060767967
Energy: 1.1970608691967415
Energy: 1.1189040607686316
Energy: 1.1970608691987352
Energy: 1.1051109519949998
Energy: 1.2644861650894583
Energy: 1.1051109519976579
Energy: 1.2644861650901227
Energy: 1.1051109519969933
Energy: 1.2644861650887937
Energy: 1.1805791120758327
Energy: 1.204186052705006
Energy: 1.1805791120645361
Energy: 1.2041860527043415
Energy: 1.1805791120572264
Energy: 1.2041860526996901
Energy: 1.081647128863758
Energy: 1.1994513140734524
Energy: 1.0816471288677447
Energy: 1.1994513140754457
Energy: 1.081647128863758
Energy: 1.1994513140767749
Energy: 1.1894735106060617
Energy: 1.216129120607957
Energy: 1.189473510609384
Energy: 1.216129120607957
Energy: 1.1894735106100487
Energy: 1.216129120609286
Energy: 1.2107614234623136
Energy: 1.1969609650969553
Energy: 1.2107614234696231
Energy: 1.1969609650969553
Energy: 1.2107614234649717
Energy: 1.1969609650976198
Energy: 1.1939117134053054
Energy: 1.4240564334013446
Energy: 1.1939113839560094
Energy: 1.4240564334026735
Energy: 1.1939097299744925
Energy: 1.424056433402009
Energy: 1.1463191230638017
Energy: 1.2143684836051396
Energy: 1.146319123063137
Energy: 1.2143684836051396
Energy: 1.1463191230638017
Energy: 1.2143684836038104
Energy: 1.095700982370672
Energy: 1.1973581314931883
Energy: 1.0957009823673494
Energy: 1.197358131492524
Energy: 1.0957009823646915
Energy: 1.1973581314985045

minimum gb energy = 1.067389535016824 eV
minimum distance =  2.32255126302487 Angstroms
sigma value = 43


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

Energy: 1.0765438121784412
Energy: 1.006758613587666
Energy: 1.0765438121789253
Energy: 1.0067586135871818
Energy: 1.0765438121794095
Energy: 1.0067586135866977
Energy: 0.9974952903390129
Energy: 1.0053379949821388
Energy: 0.9974952903424019
Energy: 1.0053379949821388
Energy: 0.997495290336592
Energy: 1.0053379949821388
Energy: 1.085106450343519
Energy: 1.0872143105170122
Energy: 1.0851064503444876
Energy: 1.0872143105170122
Energy: 1.0851064503473924
Energy: 1.0872143105174963
Energy: 1.0241480043659525
Energy: 1.0661742265243572
Energy: 1.0241480043654683
Energy: 1.0661742265229048
Energy: 1.0241480043664368
Energy: 1.066174226520484
Energy: 0.9978573743820085
Energy: 0.9432530583171975
Energy: 0.9978573743858818
Energy: 0.9432530583176816
Energy: 0.9978573743858818
Energy: 0.9432530583176816
Energy: 1.0498329640170403
Energy: 0.9960362289732201
Energy: 1.0498329640189772
Energy: 0.9960362289732201
Energy: 1.0498329640136512
Energy: 0.9960362289737044
Energy: 1.000765264097485
Energy: 1.0437975515786266
Energy: 1.0007652640955482
Energy: 1.0437975515776583
Energy: 1.0007652640965166
Energy: 1.043797551582984
Energy: 1.000667213204736
Energy: 0.954019273301685
Energy: 1.0006672132066727
Energy: 0.9540192733026535
Energy: 1.0006672131732655
Energy: 0.954019273301685
Energy: 1.0068432885502896
Energy: 0.9810618087998844
Energy: 1.0068432885493213
Energy: 0.9810618088003684
Energy: 1.0068432885541627
Energy: 0.9810618088003684
Energy: 1.1103008099392169
Energy: 0.9983464682425705
Energy: 1.110300809939701
Energy: 0.9983464682459595
Energy: 1.1103008099387326
Energy: 0.998346468244023
Energy: 1.0981059993336377
Energy: 1.0769336057321985
Energy: 1.0981059993389637
Energy: 1.0769336057331669
Energy: 1.098105999334606
Energy: 1.0769336057312302
Energy: 0.9599037645589924
Energy: 0.983874007377615
Energy: 0.95990376455754
Energy: 0.9838740073771308
Energy: 0.9599037645580243
Energy: 0.983874007377615
Energy: 1.1093113291530698
Energy: 0.949906535780017
Energy: 1.1093113291530698
Energy: 0.9499065357742069
Energy: 1.1093113291530698
Energy: 0.9499065357805011
Energy: 1.002487552604619
Energy: 1.0735315264825993
Energy: 1.0024875526021981
Energy: 1.073531526481147
Energy: 1.00248755260704
Energy: 1.0735315264850203
Energy: 0.9944985096571615
Energy: 0.9690514929817695
Energy: 0.9944985096566773
Energy: 0.9690514929812855
Energy: 0.9944985096518356
Energy: 0.9690514929822538
Energy: 1.0391406661320162
Energy: 1.0125294290242801
Energy: 1.0391406661315319
Energy: 1.012529429021375
Energy: 1.0391406661310478
Energy: 1.0125294290208908
Energy: 1.0076346459977457
Energy: 1.0637155903924893
Energy: 1.0076346459962933
Energy: 1.0637155903886162
Energy: 1.0076346459948406
Energy: 1.0637155903881321
Energy: 1.0187213130951238
Energy: 0.9705761591284724
Energy: 1.0187213130927029
Energy: 0.9705761591289567
Energy: 1.0187213130936712
Energy: 0.9705761591289567
Energy: 0.9980334913510368
Energy: 1.0856627380036117
Energy: 0.9980334913500685
Energy: 1.0856627380040957
Energy: 0.9980334913505527
Energy: 1.0856627380026433
Energy: 0.9982386722483519
Energy: 0.961280108897329
Energy: 0.998238672245931
Energy: 0.9612801088978132
Energy: 0.9982386722478677
Energy: 0.961280108897329
Energy: 1.0849868792417094
Energy: 1.0049477102912363
Energy: 1.084986879236384
Energy: 1.0049477102912363
Energy: 1.0849868792354156
Energy: 1.0049477102917204
Energy: 1.0370177849947957
Energy: 1.0908710966597885
Energy: 1.037017784995764
Energy: 1.0908710966588206
Energy: 1.0370177849962483
Energy: 1.0908710966593047
Energy: 1.0584956868243667
Energy: 1.0818787260600329
Energy: 1.0584956868238824
Energy: 1.0818787260600329
Energy: 1.0584956868267874
Energy: 1.0818787260600329
Energy: 1.036507189369174
Energy: 1.004459768820765
Energy: 1.0365071893662687
Energy: 1.0044597688217336
Energy: 1.0365071893653006
Energy: 1.0044597688212493
Energy: 0.9486543840700944
Energy: 0.9530325571218587
Energy: 0.9486543840700944
Energy: 0.9530325571208904
Energy: 0.9486543840696102
Energy: 0.9530325571218587
Energy: 0.9719244912202494
Energy: 1.0606923725390454
Energy: 0.9719244912202494
Energy: 1.0606923725371087
Energy: 0.971924491219281
Energy: 1.060692372538077
Energy: 1.0404048927278786
Energy: 0.9682825222930038
Energy: 1.0975409938537506
Energy: 0.9682825222920356
Energy: 1.0496941968148759
Energy: 0.9682825222925198
Energy: 0.9008922631093124
Energy: 0.9576653345240281
Energy: 0.9008922631093124
Energy: 0.9576653345245124
Energy: 0.9008922631093124
Energy: 0.9576653345240281
Energy: 0.9717514478618082
Energy: 1.007600466507197
Energy: 0.9717514478603557
Energy: 1.0076004665057445
Energy: 0.9717514478613241
Energy: 1.0076004665067129
Energy: 0.988942759475675
Energy: 0.9519648775837121
Energy: 0.9889427594742225
Energy: 0.9519648775841962
Energy: 0.9889427594761592
Energy: 0.951964877583228
Energy: 0.888390347329151
Energy: 0.9575084240511004
Energy: 0.9793577199328587
Energy: 0.9575084240569102
Energy: 0.9793577199362479
Energy: 0.9575084240540054
Energy: 0.9726167541811865
Energy: 0.9755381272107588
Energy: 0.9726167541811865
Energy: 0.9755381272107588
Energy: 0.9726167541811865
Energy: 0.9755381272102748
Energy: 0.9552699062988559
Energy: 0.9536273090410712
Energy: 0.9552699062954668
Energy: 0.9536273090410712
Energy: 0.955269906293046
Energy: 0.9536273090415555
Energy: 1.0985690777540322
Energy: 1.0769959993342377
Energy: 1.0985690777583894
Energy: 1.0769959993332694
Energy: 1.0985690777516113
Energy: 1.076995999331817
Energy: 0.9740965502408206
Energy: 0.9446785003102548
Energy: 0.9740965502393681
Energy: 0.9446785003092864
Energy: 0.9740965502398524
Energy: 0.9446785003088023
Energy: 0.8776895732943956
Energy: 0.9539498421186329
Energy: 0.8776895732934272
Energy: 0.9539498421166963
Energy: 0.8776895732948797
Energy: 0.9539498421205697

minimum gb energy = 0.8776895732934272 eV
minimum distance =  2.30515225631173 Angstroms
sigma value = 81


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

Energy: 0.7052377265994251
Energy: 0.759626814209809
Energy: 0.017557280362732287
Energy: 0.759626814209809
Energy: 0.7052377266012041
Energy: 0.7596268142080301
Energy: 1.536588794810169
Energy: 0.01887097724285055
Energy: 1.536588794810169
Energy: 0.018870977241071618
Energy: 1.536588794810169
Energy: 0.018870977239292687
Energy: 0.7105275948420804
Energy: 0.01829610751117755
Energy: 0.7105275948438594
Energy: 0.018296107512956485
Energy: 0.7105275948420804
Energy: 0.01829610751117755
Energy: 0.017557280362732287
Energy: 0.759626814211588
Energy: 0.017557280362732287
Energy: 0.759626814211588
Energy: 0.017557280362732287
Energy: 0.7596268142080301
Energy: 1.5365887948119477
Energy: 0.018870977203714057
Energy: 1.5365887948119477
Energy: 0.018870977205492988
Energy: 1.5365887948119477
Energy: 0.018870977205492988
Energy: 0.7105275948403015
Energy: 0.018296107512956485
Energy: 0.7105275948403015
Energy: 0.018296107512956485
Energy: 0.7105275948403015
Energy: 0.018296107512956485
Energy: 0.705237726602983
Energy: 0.7596268142080301
Energy: 0.017557280362732287
Energy: 0.7596268142080301
Energy: 0.705237726602983
Energy: 0.759626814209809
Energy: 1.536588794810169
Energy: 0.018870977173472223
Energy: 1.536588794810169
Energy: 0.018870977173472223
Energy: 1.53658879480839
Energy: 0.018870977175251154
Energy: 0.7105275948456383
Energy: 0.018296107509398616
Energy: 0.7105275948420804
Energy: 0.01829610751117755
Energy: 0.7105275948438594
Energy: 0.018296107509398616
Energy: 0.017557280364511214
Energy: 0.759626814209809
Energy: 0.017557280362732287
Energy: 0.759626814209809
Energy: 0.017557280364511214
Energy: 0.7596268142080301

minimum gb energy = 0.017557280362732287 eV
minimum distance =  2.46146760216236 Angstroms
sigma value = 3


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

Energy: 0.7952578427594039
Energy: 0.8560311378069368
Energy: 0.7952578427588715
Energy: 0.8560311378074693
Energy: 0.7952578427610009
Energy: 0.8560311378074693
Energy: 0.6891323492803317
Energy: 0.7582426229977931
Energy: 0.689132349280864
Energy: 0.7582426229972606
Energy: 0.6891323492803317
Energy: 0.7582426229977931
Energy: 0.8156055757414468
Energy: 0.7598296734812003
Energy: 0.8156055757414468
Energy: 0.759829673480668
Energy: 0.8156055757409144
Energy: 0.7598296734812003
Energy: 0.7538513765764661
Energy: 0.8054508845013689
Energy: 0.7538513765754014
Energy: 0.8054508845019014
Energy: 0.7538513765764661
Energy: 0.8054508845024337
Energy: 0.7210362853231069
Energy: 0.7552277996997151
Energy: 0.7210362853231069
Energy: 0.7552277997002474
Energy: 0.7210362853236392
Energy: 0.7552277996997151
Energy: 0.8171191742352301
Energy: 0.7697062007603825
Energy: 0.8171191742357622
Energy: 0.7697062007603825
Energy: 0.8171191742352301
Energy: 0.7697062007598503
Energy: 0.7759220049224044
Energy: 0.795606315944069
Energy: 0.7759220049224044
Energy: 0.7956063159419396
Energy: 0.7759220049218719
Energy: 0.7956063159466824
Energy: 0.7196392564470296
Energy: 0.7544970213597675
Energy: 0.7196392564470296
Energy: 0.7544970213597675
Energy: 0.719639256449159
Energy: 0.754497021359235
Energy: 0.8332273592931303
Energy: 0.7909483054454258
Energy: 0.8332273592920655
Energy: 0.7909483054459583
Energy: 0.8332273592920655
Energy: 0.7909483054459583
Energy: 0.776296831373544
Energy: 0.7904715444920537
Energy: 0.7762968313740763
Energy: 0.7904715444925862
Energy: 0.7762968313740763
Energy: 0.7904715444952479
Energy: 0.7672999192734185
Energy: 0.7532355235932774
Energy: 0.7672999192771449
Energy: 0.7532355235927449
Energy: 0.7672999192824683
Energy: 0.7532355235927449
Energy: 0.8498857139833191
Energy: 0.8514800004524138
Energy: 0.8498857139795927
Energy: 0.8514800004518814
Energy: 0.8498857139790602
Energy: 0.8514800004502845
Energy: 0.7538878248247586
Energy: 0.7439800802790073
Energy: 0.7538878248242262
Energy: 0.7439800802795397
Energy: 0.7538878248242262
Energy: 0.7439800802790073
Energy: 0.7950811475453505
Energy: 0.723694703459196
Energy: 0.7950811475363007
Energy: 0.7236947034581312
Energy: 0.7950811475118126
Energy: 0.7236947034586636
Energy: 0.78759947266119
Energy: 0.8214414704255417
Energy: 0.78759947266119
Energy: 0.8214414704271389
Energy: 0.78759947266119
Energy: 0.8214414704239448
Energy: 0.7549803076829011
Energy: 0.7288635416204988
Energy: 0.7549803076834335
Energy: 0.7288635416215635
Energy: 0.7549803076829011
Energy: 0.7288635416199665
Energy: 0.8075706417018128
Energy: 0.8270994854035552
Energy: 0.8075706417018128
Energy: 0.8270994854035552
Energy: 0.8075706417012803
Energy: 0.8270994854035552
Energy: 0.8066947486712522
Energy: 0.7737099840700395
Energy: 0.8066947486712522
Energy: 0.7737099840705718
Energy: 0.8066947486707199
Energy: 0.7737099840721688
Energy: 0.7563195349213775
Energy: 0.7066258280054037
Energy: 0.756319534920845
Energy: 0.7066258280048714
Energy: 0.756319534920845
Energy: 0.7066258280048714
Energy: 0.7824021004340471
Energy: 0.8398933792306645
Energy: 0.7824021004340471
Energy: 0.8398933792295997
Energy: 0.7824021004319176
Energy: 0.8398933792306645
Energy: 0.801314197633962
Energy: 0.5736108582235132
Energy: 0.801314197633962
Energy: 0.5736108582245779
Energy: 0.8013141976328972
Energy: 0.5736108582314985
Energy: 0.7225863255817377
Energy: 0.7719549080538408
Energy: 0.7225863255812055
Energy: 0.7719549080538408
Energy: 0.7225863255817377
Energy: 0.7719549080538408
Energy: 0.813372257470302
Energy: 0.7219641175555974
Energy: 0.8133722574649785
Energy: 0.7219641175561298
Energy: 0.8133722574660431
Energy: 0.7219641175561298
Energy: 0.8049077860827426
Energy: 0.5771819833424923
Energy: 0.8049077860779515
Energy: 0.5771819833440893
Energy: 0.8049077860779515
Energy: 0.5771819833440893
Energy: 0.7546044078399666
Energy: 0.8053213714044832
Energy: 0.7546044078394343
Energy: 0.805321371403951
Energy: 0.7546044078389019
Energy: 0.8053213714044832
Energy: 0.8184210728721832
Energy: 0.7540091101683091
Energy: 0.8184210728695214
Energy: 0.7540091101683091
Energy: 0.8184210728711185
Energy: 0.7540091101683091
Energy: 0.9171840318954596
Energy: 0.7031820935450162
Energy: 0.9171840318901363
Energy: 0.7031820935444837
Energy: 0.9171840318965244
Energy: 0.7031820935444837
Energy: 0.7765844032935127
Energy: 0.8425527579727967
Energy: 0.7765844032940452
Energy: 0.8425527579733292
Energy: 0.7765844032945775
Energy: 0.8425527579733292
Energy: 0.8192381719291385
Energy: 0.7552317205004573
Energy: 0.819238171929671
Energy: 0.7552317205004573
Energy: 0.8192381719312679
Energy: 0.7552317205009895
Energy: 0.9161622959934163
Energy: 0.8790582662581126
Energy: 0.9161622959950133
Energy: 0.8790582662575801
Energy: 0.9161622959987397
Energy: 0.8790582662586447
Energy: 0.8113650184726617
Energy: 0.8362073610224641
Energy: 0.8113650184721295
Energy: 0.8362073610224641
Energy: 0.8113650184721295
Energy: 0.8362073610219318
Energy: 0.7882984681627369
Energy: 0.7693931679986952
Energy: 0.788298468161672
Energy: 0.7693931679986952
Energy: 0.7882984681632691
Energy: 0.7693931679992274
Energy: 0.7835033952181577
Energy: 0.8292752862251044
Energy: 0.7835033952192224
Energy: 0.8292752862267013
Energy: 0.78350339521869
Energy: 0.8292752862267013

minimum gb energy = 0.5736108582235132 eV
minimum distance =  2.36502072718105 Angstroms
sigma value = 67


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

Energy: 1.046666103555866
Energy: 1.0295872908240709
Energy: 1.0466661035551075
Energy: 1.0295872908255879
Energy: 1.0466661035573832
Energy: 1.0295872908248291
Energy: 1.0190506294316617
Energy: 1.031671794653118
Energy: 1.01905062943242
Energy: 1.031671794651601
Energy: 1.0190506294331787
Energy: 1.031671794653118
Energy: 1.2221818406168554
Energy: 1.029898741011785
Energy: 1.084522934134786
Energy: 1.0298987410125435
Energy: 1.0845229341332687
Energy: 1.0298987410125435
Energy: 1.0346347391153523
Energy: 1.0985840922677579
Energy: 1.0346347391145938
Energy: 1.0985840922647239
Energy: 1.0346347391145938
Energy: 1.0985840922654824
Energy: 1.0286356654136295
Energy: 1.0309377661655614
Energy: 1.0286356654136295
Energy: 1.0309377661648027
Energy: 1.0286356654143882
Energy: 1.0309377661648027
Energy: 1.0871681393277417
Energy: 1.0289687050839926
Energy: 1.087168139329259
Energy: 1.0289687050839926
Energy: 1.0871681393300174
Energy: 1.0289687050839926
Energy: 1.191412508330588
Energy: 1.0629238503879217
Energy: 1.1914125083313463
Energy: 1.062923850385646
Energy: 1.1914125083313463
Energy: 1.0629238503901974
Energy: 1.0765233159128762
Energy: 1.0350316367244234
Energy: 1.0765233159128762
Energy: 1.0350316367244234
Energy: 1.0765233159128762
Energy: 1.035031636723665
Energy: 1.1137828317400758
Energy: 1.1191830456088938
Energy: 1.113782831740834
Energy: 1.1191830456111695
Energy: 1.1137828317423513
Energy: 1.1191830456126866
Energy: 1.025331080861567
Energy: 1.0131310223491239
Energy: 1.0253310808608083
Energy: 1.0131310223491239
Energy: 1.025331080861567
Energy: 1.0131310223491239
Energy: 1.079328220882889
Energy: 1.036052328879991
Energy: 1.079328220884406
Energy: 1.036052328879991
Energy: 1.0793282208866817
Energy: 1.036052328879991
Energy: 1.025083303792758
Energy: 1.0631028691812514
Energy: 1.025083303792758
Energy: 1.0631028691827686
Energy: 1.025083303792758
Energy: 1.063102869183527
Energy: 1.0243924144142431
Energy: 1.022325432762663
Energy: 1.0243924144142431
Energy: 1.0223254327634212
Energy: 1.0243924144134846
Energy: 1.0223254327619042
Energy: 1.0628933531431421
Energy: 1.0093018826098066
Energy: 1.0628933531431421
Energy: 1.0093018826098066
Energy: 1.0628933531439007
Energy: 1.0093018826098066
Energy: 1.0122585370634043
Energy: 1.0185896023006036
Energy: 1.0122585370634043
Energy: 1.018589602299845
Energy: 1.0122585370626458
Energy: 1.0185896023006036
Energy: 1.0121210908989973
Energy: 1.0353423972224778
Energy: 1.0121210908974805
Energy: 1.0353423972232363
Energy: 1.0121210908974805
Energy: 1.0353423972232363
Energy: 1.105950446873749
Energy: 1.033434425239374
Energy: 1.1059504468752663
Energy: 1.0334344252386152
Energy: 1.1059504468760248
Energy: 1.033434425239374
Energy: 1.009287624311638
Energy: 1.0135497479555486
Energy: 1.009287624311638
Energy: 1.0135497479563071
Energy: 1.0092876243123963
Energy: 1.0135497479555486
Energy: 1.028941799797976
Energy: 1.0809296873530285
Energy: 1.0289417997987347
Energy: 1.0809296873537872
Energy: 1.028941799797976
Energy: 1.0809296873537872
Energy: 1.0123715834189768
Energy: 1.0306595984976503
Energy: 1.0123715834197353
Energy: 1.0306595984976503
Energy: 1.0123715834189768
Energy: 1.0306595984976503
Energy: 1.0611815230108896
Energy: 1.0380015464849206
Energy: 1.0611815229987531
Energy: 1.0380015464841619
Energy: 1.0611815229995116
Energy: 1.0380015464841619
Energy: 1.0363911415598204
Energy: 1.1211394604365357
Energy: 1.0363911415583031
Energy: 1.1211394604372944
Energy: 1.0363911415583031
Energy: 1.1211394604380527
Energy: 1.083424872118305
Energy: 1.0291135987604096
Energy: 1.083424872118305
Energy: 1.0291135987596511
Energy: 1.083424872116788
Energy: 1.0291135987604096

minimum gb energy = 1.009287624311638 eV
minimum distance =  2.3799765783619 Angstroms
sigma value = 33


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

Energy: 1.207479286312303
Energy: 1.2336479398043632
Energy: 1.207479286312303
Energy: 1.2336479398034008
Energy: 1.207479286312303
Energy: 1.2336479398038822
Energy: 1.195628362896062
Energy: 1.1740614792005923
Energy: 1.1956283628965432
Energy: 1.1740614792001112
Energy: 1.195628362896062
Energy: 1.1740614792010737
Energy: 1.2320509208831112
Energy: 1.191777658582196
Energy: 1.2320509208792614
Energy: 1.1917776585817146
Energy: 1.2320509208840735
Energy: 1.1917776585817146
Energy: 1.1974576343568426
Energy: 1.3071241592982916
Energy: 1.1974576343568426
Energy: 1.307124159299254
Energy: 1.1974576343563614
Energy: 1.3071241593031035
Energy: 1.2382565348542165
Energy: 1.1727203019332402
Energy: 1.2382565348542165
Energy: 1.1727203019332402
Energy: 1.238256534853254
Energy: 1.1727203019327588
Energy: 1.2802688389245709
Energy: 1.2204476945327418
Energy: 1.2802688389236085
Energy: 1.3305088809479801
Energy: 1.2802688389236085
Energy: 1.2704096105732687
Energy: 1.1910617458050696
Energy: 1.2633537041591292
Energy: 1.1910617458055508
Energy: 1.263353704158648
Energy: 1.1910617458045885
Energy: 1.2633537041600917
Energy: 1.2920599981857326
Energy: 1.2288270072914715
Energy: 1.292059998185295
Energy: 1.2288270072919527
Energy: 1.292059998185295
Energy: 1.2288270072914715
Energy: 1.2085907080691753
Energy: 1.2596646601303756
Energy: 1.2085907080696567
Energy: 1.259664660131338
Energy: 1.2085907080691753
Energy: 1.2596646601284942
Energy: 1.17678599824593
Energy: 1.2419502547024002
Energy: 1.1767859982440054
Energy: 1.2917372599836732
Energy: 1.1767859982454492
Energy: 1.2254075537785805
Energy: 1.2734717819684487
Energy: 1.1720910445838604
Energy: 1.2734717819698922
Energy: 1.1720910445838604
Energy: 1.2734717819689299
Energy: 1.1720910445843418
Energy: 1.1924538459955023
Energy: 1.2165118443243512
Energy: 1.1924538459940586
Energy: 1.2165118443233889
Energy: 1.1924538459955023
Energy: 1.2165118443233889
Energy: 1.1753159152429213
Energy: 1.2014322913822026
Energy: 1.1753159152438837
Energy: 1.2014322913826838
Energy: 1.1753159152419588
Energy: 1.2014322913817215
Energy: 1.1983153243678895
Energy: 1.174434802855936
Energy: 1.1983153243678895
Energy: 1.1744348028573797
Energy: 1.1983153243664457
Energy: 1.1744348028564173
Energy: 1.1830512087717606
Energy: 1.2118945120604667
Energy: 1.1830512087717606
Energy: 1.211894512060948
Energy: 1.1830512087712797
Energy: 1.2118945120599856
Energy: 1.1967758671518747
Energy: 1.2457532418975406
Energy: 1.1967758671518747
Energy: 1.2457532418999466
Energy: 1.1967758671518747
Energy: 1.2457532418951347
Energy: 1.2397263067617033
Energy: 1.1922926767222073
Energy: 1.239726306761222
Energy: 1.1922926767217261
Energy: 1.2397263067617033
Energy: 1.1922926767217261
Energy: 1.241755805916368
Energy: 1.2905466320528132
Energy: 1.241755805916368
Energy: 1.2905466320523318
Energy: 1.241755805916368
Energy: 1.290546632055219
Energy: 1.198281526568074
Energy: 1.2691641221664898
Energy: 1.198281526568074
Energy: 1.269164122159753
Energy: 1.1982815265685551
Energy: 1.2691641221525347
Energy: 1.280894601493555
Energy: 1.1736369602900487
Energy: 1.280894601493555
Energy: 1.17363696029053
Energy: 1.2808946015002918
Energy: 1.1736369602910113
Energy: 1.1942712636689476
Energy: 1.2616977722700415
Energy: 1.1942712636689476
Energy: 1.2616977722695604
Energy: 1.1942712636694288
Energy: 1.2616977722695604
Energy: 1.1812584577101
Energy: 1.2202153429609854
Energy: 1.181258457709619
Energy: 1.2202153429609854
Energy: 1.1812584577101
Energy: 1.2202153429609854
Energy: 1.310749778900109
Energy: 1.1722323710110045
Energy: 1.3107497788981843
Energy: 1.1722323710110045
Energy: 1.310749778902034
Energy: 1.1722323710110045
Energy: 1.1780131047611149
Energy: 1.2088509806290444
Energy: 1.1780131047620772
Energy: 1.208850980628563
Energy: 1.178013104761596
Energy: 1.208850980628563
Energy: 1.1946568806417273
Energy: 1.2098746268025875
Energy: 1.1946568806412459
Energy: 1.2098746268025875
Energy: 1.1946568806426894
Energy: 1.2098746268021063
Energy: 1.2757011154382454
Energy: 1.2083409885975822
Energy: 1.2757011154339146
Energy: 1.2083409885975822
Energy: 1.2757011154435387
Energy: 1.2083409885975822
Energy: 1.1909933032982734
Energy: 1.2206379352858332
Energy: 1.1909933032987545
Energy: 1.2206379352863144
Energy: 1.1909933032982734
Energy: 1.2206379352867955
Energy: 1.1743270713735612
Energy: 1.3004645233781722
Energy: 1.174327071375005
Energy: 1.3004645233738414
Energy: 1.1743270713769298
Energy: 1.3004645233743226
Energy: 1.2906635357005463
Energy: 1.172404382760744
Energy: 1.2906635357005463
Energy: 1.1724043827602628
Energy: 1.2906635356986214
Energy: 1.1724043827602628
Energy: 1.196075987517015
Energy: 1.2603929682498516
Energy: 1.1960759875174962
Energy: 1.2603929682541823
Energy: 1.1960759875179774
Energy: 1.2603929682599568
Energy: 1.2955067373850657
Energy: 1.3044927041684613
Energy: 1.2955067373816973
Energy: 1.3044927041689425
Energy: 1.2955067373841034
Energy: 1.3044927041708674
Energy: 1.2383576519661892
Energy: 1.1736681378648706
Energy: 1.238357651967633
Energy: 1.1736681378648706
Energy: 1.2383576519661892
Energy: 1.1736681378643892
Energy: 1.199161206875849
Energy: 1.2462468319149738
Energy: 1.199161206875849
Energy: 1.2462468319149738
Energy: 1.1991612068753676
Energy: 1.2462468319173796
Energy: 1.1880221990335027
Energy: 1.174256324823604
Energy: 1.1880221990344653
Energy: 1.1742563248240852
Energy: 1.188022199033984
Energy: 1.1742563248240852
Energy: 1.208197073700219
Energy: 1.1925892733587375
Energy: 1.2081970737016625
Energy: 1.1925892733587375
Energy: 1.2081970737007002
Energy: 1.1925892733582564
Energy: 1.177888577647852
Energy: 1.1874632336086124
Energy: 1.1778885776492953
Energy: 1.187463233608131
Energy: 1.177888577647852
Energy: 1.1874632336086124
Energy: 1.1976301968893992
Energy: 1.1984669063323705
Energy: 1.1976301968893992
Energy: 1.1984669063318891
Energy: 1.1976301968893992
Energy: 1.1984669063318891

minimum gb energy = 1.1720910445838604 eV
minimum distance =  2.34543891975328 Angstroms
sigma value = 41


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

Energy: 1.4929682866737084
Energy: 1.4897786959619577
Energy: 1.4929682866750222
Energy: 1.4897786959619577
Energy: 1.4929682866750222
Energy: 1.4897786959619577
Energy: 1.5182495246198677
Energy: 1.4767534843345156
Energy: 1.5182495246198677
Energy: 1.4767534843345156
Energy: 1.5182495246198677
Energy: 1.4767534843345156
Energy: 1.6346289935533032
Energy: 1.4725238297946883
Energy: 1.7742077888280514
Energy: 1.4725238297946883
Energy: 1.5954695000459571
Energy: 1.4725238297933747
Energy: 1.463185722989439
Energy: 1.5986977016953947
Energy: 1.463185722988125
Energy: 1.5986977016914532
Energy: 1.463185722988125
Energy: 1.5986977016940809
Energy: 1.5937911322893217
Energy: 1.493352298804078
Energy: 1.5937911322893217
Energy: 1.493352298804078
Energy: 1.5937911322880078
Energy: 1.493352298804078
Energy: 1.612804051455895
Energy: 1.593938899215864
Energy: 1.6128040514545812
Energy: 1.593938899217178
Energy: 1.6128040514519535
Energy: 1.593938899217178
Energy: 1.4775732008117368
Energy: 1.5197238480211819
Energy: 1.477573200810423
Energy: 1.5197238480211819
Energy: 1.477573200810423
Energy: 1.5197238480211819
Energy: 1.525611416886899
Energy: 1.4773209026367033
Energy: 1.525611416886899
Energy: 1.4773209026367033
Energy: 1.525611416886899
Energy: 1.4773209026367033
Energy: 1.530994787853367
Energy: 1.5220670879733256
Energy: 1.5309947878520533
Energy: 1.5220670879720117
Energy: 1.530994787853367
Energy: 1.5220670879733256
Energy: 1.461554179063767
Energy: 1.5307337353164816
Energy: 1.4615541790650808
Energy: 1.5307337353164816
Energy: 1.461554179063767
Energy: 1.5307337353164816
Energy: 1.5182396651125731
Energy: 1.4729728355287417
Energy: 1.5182396651125731
Energy: 1.4729728355287417
Energy: 1.5182396651125731
Energy: 1.4729728355287417
Energy: 1.5366657841108105
Energy: 1.4746824249396338
Energy: 1.5366657841094964
Energy: 1.4746824249396338
Energy: 1.5366657841094964
Energy: 1.47468242493832
Energy: 1.5036935861158274
Energy: 1.5977958778884451
Energy: 1.5036935861158274
Energy: 1.5977958778884451
Energy: 1.5036935861158274
Energy: 1.5977958778871317
Energy: 1.593780252590493
Energy: 1.4767805984228726
Energy: 1.593780252589179
Energy: 1.4767805984228726
Energy: 1.593780252590493
Energy: 1.4767805984228726

minimum gb energy = 1.461554179063767 eV
minimum distance =  2.34592874934706 Angstroms
sigma value = 11


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

Energy: 1.7748005964232654
Energy: 1.802670424778641
Energy: 1.7748005964232654
Energy: 1.802670424778641
Energy: 1.7748005964232654
Energy: 1.802670424778641
Energy: 1.768427405343724
Energy: 1.723493311802594
Energy: 1.768427405344301
Energy: 1.723493311802594
Energy: 1.768427405344301
Energy: 1.7234933118020168
Energy: 1.8746895837396613
Energy: 1.7340503324108631
Energy: 1.8746895837408157
Energy: 1.73405033241144
Energy: 1.9211802209213191
Energy: 1.73405033241144
Energy: 1.728649751098375
Energy: 1.831816738573584
Energy: 1.728649751098952
Energy: 1.8318167385730069
Energy: 1.7286497510977976
Energy: 1.8318167385712754
Energy: 1.8632922001775762
Energy: 1.7527610329566705
Energy: 1.8632922001746905
Energy: 1.7527610329578247
Energy: 1.8632922001706766
Energy: 1.7527610329572474
Energy: 1.7312757262783034
Energy: 1.8096720989917805
Energy: 1.7312757262788805
Energy: 1.8096720989917805
Energy: 1.7312757262783034
Energy: 1.8096720989917805
Energy: 1.7377108275194701
Energy: 1.8701145966729498
Energy: 1.7377108275200475
Energy: 1.8701145966752581
Energy: 1.7377108275200475
Energy: 1.8701145966758355
Energy: 1.8188979112784822
Energy: 1.728984017961766
Energy: 1.8188979112779056
Energy: 1.728984017961766
Energy: 1.8188979112784822
Energy: 1.728984017961766
Energy: 1.8247879703689731
Energy: 1.7272601896124093
Energy: 1.8247879703689731
Energy: 1.7272601896124093
Energy: 1.8247879703683958
Energy: 1.7272601896124093
Energy: 1.7494934055559044
Energy: 1.8704084980900226
Energy: 1.7494934055564817
Energy: 1.870408498088868
Energy: 1.7494934055559044
Energy: 1.8704084980854052
Energy: 1.8352298506812497
Energy: 1.758622670347045
Energy: 1.8352298506800953
Energy: 1.7586226703476222
Energy: 1.8352298506800953
Energy: 1.758622670346468
Energy: 1.8055346155960317
Energy: 1.8035711280354585
Energy: 1.8055346155960317
Energy: 1.8035711280354585
Energy: 1.805534615596609
Energy: 1.8035711280354585
Energy: 1.7294789698818243
Energy: 1.8377865048012947
Energy: 1.7294789698818243
Energy: 1.8377865048012947
Energy: 1.7294789698824016
Energy: 1.8377865048012947
Energy: 1.8871432658989937
Energy: 1.7240538491397626
Energy: 1.8871432658989937
Energy: 1.7240538491391852
Energy: 1.8871432658961076
Energy: 1.7240538491391852
Energy: 1.8235753714798164
Energy: 1.7553957047942172
Energy: 1.8235753714798164
Energy: 1.7553957047942172
Energy: 1.8235753714798164
Energy: 1.7553957047942172
Energy: 1.7641292026989963
Energy: 1.8301877587152007
Energy: 1.764129202698419
Energy: 1.8301877587111604
Energy: 1.764129202698419
Energy: 1.830187758716355
Energy: 1.8315271565106808
Energy: 1.7423096122283803
Energy: 1.8315271565118352
Energy: 1.7423096122283803
Energy: 1.831527156511258
Energy: 1.7423096122283803
Energy: 1.7906804113790538
Energy: 1.8076329820822132
Energy: 1.7906804113778994
Energy: 1.8076329820827906
Energy: 1.7906804113802082
Energy: 1.8076329820827906
Energy: 1.739912080486794
Energy: 1.797222257524008
Energy: 1.7399120804873711
Energy: 1.797222257524008
Energy: 1.739912080486794
Energy: 1.797222257524008
Energy: 1.8262703773304056
Energy: 1.7623777478863378
Energy: 1.8262703758183212
Energy: 1.7623777478863378
Energy: 1.8262703714846247
Energy: 1.7623777478869151
Energy: 1.742832796681983
Energy: 1.821885792922141
Energy: 1.7428327966814061
Energy: 1.821885792922718
Energy: 1.7428327966825603
Energy: 1.821885792922718
Energy: 1.7286282914042683
Energy: 1.8385938694674102
Energy: 1.7286282914042683
Energy: 1.8385938694691415
Energy: 1.7286282914048456
Energy: 1.8385938694714503
Energy: 1.859998896573403
Energy: 1.7350019475225735
Energy: 1.859998896573403
Energy: 1.7350019475231506
Energy: 1.8599988965739802
Energy: 1.7350019475225735
Energy: 1.8367302584906897
Energy: 1.7229135497233516
Energy: 1.8367302584895353
Energy: 1.7229135497227743
Energy: 1.836730258488958
Energy: 1.7229135497227743
Energy: 1.7483151312949312
Energy: 1.8416531787020667
Energy: 1.7483151312960856
Energy: 1.8416531787020667
Energy: 1.7483151312955085
Energy: 1.8416531787020667
Energy: 1.8186624765883832
Energy: 1.7631054384579705
Energy: 1.8186624765901143
Energy: 1.7631054384579705
Energy: 1.8186624765854973
Energy: 1.7631054384573932
Energy: 1.7414511202780858
Energy: 1.8844778621908975
Energy: 1.7414511202775087
Energy: 1.8844778621903204
Energy: 1.7414511202780858
Energy: 1.8844778621891665
Energy: 1.7224587100534163
Energy: 1.807501821770698
Energy: 1.7224587100534163
Energy: 1.8075018217701206
Energy: 1.7224587100534163
Energy: 1.8075018217701206
Energy: 1.8306893253038796
Energy: 1.7501261260620409
Energy: 1.830689325304457
Energy: 1.7501261260626182
Energy: 1.8306893252998397
Energy: 1.750126126063169
Energy: 1.7885504601627722
Energy: 1.7348139394127498
Energy: 1.788550460161618
Energy: 1.7348139394121727
Energy: 1.7885504601627722
Energy: 1.7348139394121727
Energy: 1.7430319664919867
Energy: 1.8555132650848707
Energy: 1.7430319664919867
Energy: 1.8555132650877568
Energy: 1.7430319664919867
Energy: 1.8555132650877568

minimum gb energy = 1.7224587100534163 eV
minimum distance =  2.30099409698342 Angstroms
sigma value = 57


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

Energy: 1.843293606902445
Energy: 2.0543244981708377
Energy: 1.843293606901418
Energy: 2.0543244981687834
Energy: 1.843293606902445
Energy: 2.05432449816981
Energy: 1.8403293541071402
Energy: 1.8906452743788194
Energy: 1.8403293541091945
Energy: 1.8906452743777922
Energy: 1.8403293541112482
Energy: 1.8906452743788194
Energy: 2.0081090729944844
Energy: 1.8799484591414697
Energy: 2.0081090729944844
Energy: 1.8799484591414697
Energy: 2.0081090729883218
Energy: 1.8799484591414697
Energy: 1.827556903018107
Energy: 2.0662600821725676
Energy: 1.827556903019134
Energy: 2.066260082171541
Energy: 1.827556903018107
Energy: 2.0662600821725676
Energy: 2.008091292771801
Energy: 1.879970315804793
Energy: 2.0080912927697474
Energy: 1.879970315804793
Energy: 2.008091292771801
Energy: 1.879970315804793
Energy: 1.8403550783625804
Energy: 1.8681229764420464
Energy: 1.8403550783625804
Energy: 1.8681229764420464
Energy: 1.8403550783636073
Energy: 1.8681229764420464
Energy: 1.8432936069055263
Energy: 2.0543244981667295
Energy: 1.8432936069055263
Energy: 2.054324498164675
Energy: 1.8432936069055263
Energy: 2.0543244981667295
Energy: 1.840329354104059
Energy: 1.8906452743777922
Energy: 1.8403293541050862
Energy: 1.8906452743788194
Energy: 1.8403293541081673
Energy: 1.8906452743777922
Energy: 2.008109072989349
Energy: 1.8799484591435238
Energy: 2.008109072989349
Energy: 1.8799484591435238
Energy: 2.0081090729842135
Energy: 1.8799484591435238
Energy: 1.827556903020161
Energy: 2.066260082171541
Energy: 1.827556903020161
Energy: 2.066260082171541
Energy: 1.827556903020161
Energy: 2.0662600821725676
Energy: 2.008091292774883
Energy: 1.8799703158037662
Energy: 2.0080912927728285
Energy: 1.8799703158037662
Energy: 2.0080912927728285
Energy: 1.8799703158037662
Energy: 1.840355078361553
Energy: 1.890694344607686
Energy: 1.8403550783625804
Energy: 1.8906943446087132
Energy: 1.840355078361553
Energy: 1.8906943446087132
Energy: 1.843293606902445
Energy: 2.0543244981708377
Energy: 1.843293606902445
Energy: 2.0543244981708377
Energy: 1.843293606902445
Energy: 2.0543244981708377
Energy: 1.8403293541102215
Energy: 1.890645274374711
Energy: 1.8403293541122756
Energy: 1.890645274374711
Energy: 1.8403293541081673
Energy: 1.890645274374711
Energy: 2.0081090729955116
Energy: 1.8799484591404425
Energy: 2.0081090729944844
Energy: 1.8799484591404425
Energy: 2.0081090729883218
Energy: 1.8799484591404425
Energy: 1.82755690301708
Energy: 2.066260082171541
Energy: 1.82755690301708
Energy: 2.0662600821705137
Energy: 1.82755690301708
Energy: 2.0662600821705137
Energy: 2.0080912927728285
Energy: 1.879970315804793
Energy: 2.0080912927697474
Energy: 1.879970315804793
Energy: 2.008091292770774
Energy: 1.879970315804793

minimum gb energy = 1.82755690301708 eV
minimum distance =  2.30981680224616 Angstroms
sigma value = 9


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

Energy: 1.9121827587394546
Energy: 1.9366574880323777
Energy: 1.9121827587386158
Energy: 1.9366574880323777
Energy: 1.9121827587394546
Energy: 1.9366574880323777
Energy: 1.9429259954712008
Energy: 1.926221552152609
Energy: 1.9429259954712008
Energy: 1.9262215521534474
Energy: 1.942925995470362
Energy: 1.926221552152609
Energy: 2.0026107363696277
Energy: 1.8895407715932262
Energy: 2.0026107363704666
Energy: 1.8895407715932262
Energy: 2.0026107363688275
Energy: 1.8895407715932262
Energy: 1.8451688208576644
Energy: 2.055464012294691
Energy: 1.8451688208576644
Energy: 2.0554640122938523
Energy: 1.8451688208576644
Energy: 2.055464012294691
Energy: 1.9373716970244168
Energy: 1.8891359447774905
Energy: 1.9373716970244168
Energy: 1.8891359447766516
Energy: 1.9373716970235784
Energy: 1.8891359447766516
Energy: 1.9852193036533423
Energy: 1.8636447206321083
Energy: 1.9852193036525039
Energy: 1.8636447206321083
Energy: 1.9852193036508266
Energy: 1.8636447206321083
Energy: 1.8410296890193891
Energy: 2.0015885067307098
Energy: 1.8410296890202278
Energy: 2.0015885067349024
Energy: 1.8410296890193891
Energy: 2.0015885067323866
Energy: 1.8365354999955243
Energy: 1.9867645445476703
Energy: 1.8365354999972014
Energy: 1.9867645445476703
Energy: 1.8365354999955243
Energy: 1.9867645445476703
Energy: 2.0504950790796714
Energy: 1.8883751604850558
Energy: 2.05049507907464
Energy: 1.8883751604842172
Energy: 2.050495079077994
Energy: 1.8883751604850558
Energy: 1.845324937668685
Energy: 1.9718118005471597
Energy: 1.845324937668685
Energy: 1.9718118005471597
Energy: 1.845324937669524
Energy: 1.9718118005471597
Energy: 1.8908350213638023
Energy: 1.9450772583159575
Energy: 1.890835021364641
Energy: 1.945077258316796
Energy: 1.8908350213638023
Energy: 1.9450772583159575
Energy: 2.013035502812891
Energy: 1.864160025734466
Energy: 2.013035502812891
Energy: 1.864160025734466
Energy: 2.013035502811213
Energy: 1.8641600257353044
Energy: 1.8385526742556553
Energy: 2.022905975242469
Energy: 1.8385526742564937
Energy: 2.022905975242469
Energy: 1.8385526742548168
Energy: 2.0229059752416303
Energy: 1.9370095252577053
Energy: 1.9899373341400972
Energy: 1.9370095252568666
Energy: 1.9899373341400972
Energy: 1.9370095252577053
Energy: 1.9899373341400972
Energy: 2.070346290372762
Energy: 1.8601800478191322
Energy: 2.07034629036857
Energy: 1.8601800478191322
Energy: 2.0703462903702463
Energy: 1.8601800478191322
Energy: 1.9096373289733926
Energy: 2.0217632534122023
Energy: 1.909637328974231
Energy: 2.0217632534180727
Energy: 1.9096373289725537
Energy: 2.0217632534222654
Energy: 1.9084608822178848
Energy: 2.0318272363625782
Energy: 1.9084608822212392
Energy: 2.0318272363575467
Energy: 1.9084608822170464
Energy: 2.031827236358385
Energy: 2.2006855513462438
Energy: 1.8630747400535044
Energy: 2.2006855513479207
Energy: 1.8630747400543428
Energy: 2.200685551347082
Energy: 1.8630747400535044
Energy: 1.8678350638041856
Energy: 2.0016334293795683
Energy: 1.8678350638025083
Energy: 2.0016334293795683
Energy: 1.8678350638033472
Energy: 2.0016334293804072
Energy: 1.899695215868396
Energy: 1.9193611147157255
Energy: 1.8996952158700733
Energy: 1.9193611147157255
Energy: 1.8996952158692344
Energy: 1.9193611147157255
Energy: 2.0100768805231644
Energy: 1.870129272920887
Energy: 2.010076880524003
Energy: 1.870129272920887
Energy: 2.010076880524003
Energy: 1.8701292729217254

minimum gb energy = 1.8365354999955243 eV
minimum distance =  2.3142859937224 Angstroms
sigma value = 27


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

Energy: 1.9722825277156337
Energy: 1.9776526728478674
Energy: 1.8935593268056439
Energy: 1.9776526728471604
Energy: 1.9722825277149265
Energy: 1.9776526728422124
Energy: 1.970949805499447
Energy: 1.88218466515461
Energy: 1.9709498054987404
Energy: 1.88218466515461
Energy: 1.9709498055029815
Energy: 1.8821846651567304
Energy: 1.9572871729650836
Energy: 1.9247741013513442
Energy: 1.9572871729629628
Energy: 1.9247741013513442
Energy: 1.9572871729650836
Energy: 1.9247741013478097
Energy: 1.9204249386268515
Energy: 2.0395221832571835
Energy: 1.9204249386317995
Energy: 2.03952218325577
Energy: 1.9204249386233172
Energy: 2.03952218325577
Energy: 1.8791708421866415
Energy: 1.8798629622388767
Energy: 1.8791708421915894
Energy: 1.8798629622388767
Energy: 1.8791708421901758
Energy: 1.8798629622360492
Energy: 1.9776282832462329
Energy: 1.8849070563516637
Energy: 1.9776282832448189
Energy: 1.8849070563516637
Energy: 1.9776282832455256
Energy: 1.8849070563502501
Energy: 1.8920072315732406
Energy: 1.9683054507008453
Energy: 1.8920072315718266
Energy: 1.9683054507001385
Energy: 1.8920072315732406
Energy: 1.9683054507001385
Energy: 2.0817283577492374
Energy: 1.9546812326739966
Energy: 2.0817283577492374
Energy: 1.9546812326739966
Energy: 2.0817283577372203
Energy: 1.9546812326711689
Energy: 1.8522060279052008
Energy: 1.8842154275425278
Energy: 1.8522060279080286
Energy: 1.8842154275432348
Energy: 1.8522060279052008
Energy: 1.8842154275354595
Energy: 1.8818215040262571
Energy: 1.8708165182021759
Energy: 1.881821504027671
Energy: 1.8708165182021759
Energy: 1.8818215040262571
Energy: 1.8708165182021759
Energy: 1.8825164962740422
Energy: 1.9209126169016884
Energy: 1.8825164962719214
Energy: 1.9209126169016884
Energy: 1.8825164962740422
Energy: 1.9209126169016884
Energy: 1.9763732781654264
Energy: 1.884262640584984
Energy: 1.9763732781590646
Energy: 1.884262640584984
Energy: 1.9763732781633059
Energy: 1.8842626405835707
Energy: 1.9582640645938283
Energy: 2.0800677254406628
Energy: 1.9582640645881733
Energy: 2.0800677254427837
Energy: 1.9582640645924143
Energy: 2.0800677254385427
Energy: 1.8921996903654914
Energy: 1.8539575208618602
Energy: 1.8921996903654914
Energy: 1.853957520861153
Energy: 1.8921996903654914
Energy: 1.8539575208689285
Energy: 1.9967071026410954
Energy: 1.8848252474095826
Energy: 1.9967071026439231
Energy: 1.8848252474088756
Energy: 1.9967071026418026
Energy: 1.8848252474095826
Energy: 1.881220813160906
Energy: 1.879648775931992
Energy: 1.8812208131637336
Energy: 1.879648775931992
Energy: 1.881220813160199
Energy: 1.8796487759390288
Energy: 1.9209173064696219
Energy: 1.961626081221542
Energy: 1.9209173064703289
Energy: 1.961626081221542
Energy: 1.9209173064696219
Energy: 1.961626081217301
Energy: 2.035900115268676
Energy: 1.919854160886556
Energy: 2.0359001152623146
Energy: 1.9198541608872628
Energy: 2.0359001152672627
Energy: 1.9198541608900903
Energy: 1.920466155316642
Energy: 1.881997122606305
Energy: 1.8539616352881005
Energy: 1.881997122606305
Energy: 1.9204661553159355
Energy: 1.881997122610546
Energy: 1.9722825277156337
Energy: 1.9776526728471604
Energy: 1.8935593268056439
Energy: 1.9776526728478674
Energy: 1.9722825277163405
Energy: 1.9776526728407988
Energy: 1.9709498055022743
Energy: 1.8821846651524894
Energy: 1.970949805500861
Energy: 1.882184665153903
Energy: 1.9709498055001538
Energy: 1.8821846651581444
Energy: 1.957287172960135
Energy: 1.9247741013492232
Energy: 1.957287172960135
Energy: 1.9247741013492232
Energy: 1.957287172960135
Energy: 1.9247741013499302
Energy: 1.920424938624731
Energy: 2.0395221832550634
Energy: 1.9204249386268515
Energy: 2.0395221832536494
Energy: 1.920424938624731
Energy: 2.0395221832536494
Energy: 1.8791708421866415
Energy: 1.8798629622381697
Energy: 1.8791708421887623
Energy: 1.8798629622381697
Energy: 1.8791708421866415
Energy: 1.8798629622381697
Energy: 1.9776282832469394
Energy: 1.8849070563431811
Energy: 1.9776282832462329
Energy: 1.8849070563431811
Energy: 1.9776282832462329
Energy: 1.884907056344595

minimum gb energy = 1.8522060279052008 eV
minimum distance =  2.32594325650348 Angstroms
sigma value = 19


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

Energy: 1.91124623683297
Energy: 1.9625516317421547
Energy: 1.9112462368335803
Energy: 1.9625516317433753
Energy: 1.9112462368335803
Energy: 1.9625516317427651
Energy: 1.8630761052365763
Energy: 1.8555871339027024
Energy: 1.863076105235966
Energy: 1.85558713390212
Energy: 1.8630761052371865
Energy: 1.85558713390212
Energy: 1.8954403189850502
Energy: 1.8356391118798019
Energy: 1.8954403189850502
Energy: 1.835639111880412
Energy: 1.8954403189850502
Energy: 1.835639111881022
Energy: 1.8404992988121114
Energy: 1.8767389078093255
Energy: 1.8404992988127218
Energy: 1.876738907809936
Energy: 1.8404992988127218
Energy: 1.876738907809936
Energy: 1.8489393508157321
Energy: 1.8912836866190745
Energy: 1.8489393508139018
Energy: 1.8912836866190745
Energy: 1.8489393508139018
Energy: 1.8912836866184644
Energy: 1.8877169755426169
Energy: 1.8567935615160214
Energy: 1.8877169755432268
Energy: 1.8567935615166316
Energy: 1.8877169755426169
Energy: 1.8567935615166316
Energy: 1.8356868683841503
Energy: 1.8729693343832412
Energy: 1.8356868683847603
Energy: 1.872969334382631
Energy: 1.8356868683847603
Energy: 1.8729693343850717
Energy: 1.848199726900358
Energy: 1.8869759604579617
Energy: 1.8481997268997479
Energy: 1.8869759604579617
Energy: 1.8481997268997479
Energy: 1.8869759604579617
Energy: 1.9591737610393598
Energy: 1.8339232776435586
Energy: 1.9591737610344784
Energy: 1.8339232776441687
Energy: 1.9591737610338684
Energy: 1.8339232776423384
Energy: 1.8653659125905167
Energy: 1.8723348176467158
Energy: 1.8653659125899062
Energy: 1.8723348176461054
Energy: 1.8653659125911266
Energy: 1.8723348176467158
Energy: 1.8406720895317055
Energy: 1.944821184180775
Energy: 1.8406720895304851
Energy: 1.9448211841801646
Energy: 1.8406720895310953
Energy: 1.9448211841795544
Energy: 1.9068232832224352
Energy: 1.8382526681064157
Energy: 1.9068232832230454
Energy: 1.8382526681064157
Energy: 1.9068232832230454
Energy: 1.8382526681058056
Energy: 1.8439656471961814
Energy: 1.8660506691541803
Energy: 1.8439656471961814
Energy: 1.8660506691541803
Energy: 1.8439656471961814
Energy: 1.8660506691547902
Energy: 1.8392812392885247
Energy: 1.8698192265180358
Energy: 1.8392812392903555
Energy: 1.8698192265180358
Energy: 1.839281239289745
Energy: 1.8698192265180358
Energy: 1.9197613080522782
Energy: 1.8339205380672656
Energy: 1.9197613080516682
Energy: 1.8339205380678762
Energy: 1.9197613080510578
Energy: 1.8339205380690964
Energy: 1.914236391567778
Energy: 1.8262343127516425
Energy: 1.9142363915696088
Energy: 1.8262343127516425
Energy: 1.9142363915702187
Energy: 1.8262343127516425
Energy: 1.8422994982818985
Energy: 1.9090455767031775
Energy: 1.8422994982818985
Energy: 1.9090455767037875
Energy: 1.8422994982818985
Energy: 1.9090455767031775
Energy: 1.9050111207220954
Energy: 1.8739777421640302
Energy: 1.9050111207227058
Energy: 1.8739777421640302
Energy: 1.9050111207220954
Energy: 1.8739777421646402
Energy: 1.9066067290995752
Energy: 1.860235812898017
Energy: 1.906606729098355
Energy: 1.860235812898017
Energy: 1.9066067290989654
Energy: 1.860235812898017
Energy: 1.8380750905366148
Energy: 1.8955777803970357
Energy: 1.8380750905353944
Energy: 1.895577780397646
Energy: 1.8380750905366148
Energy: 1.895577780397646
Energy: 1.8292013929955586
Energy: 1.9184582312315217
Energy: 1.8292013929949487
Energy: 1.9184582312315217
Energy: 1.8292013929949487
Energy: 1.9184582312303011
Energy: 1.9635532061683554
Energy: 1.8234428263831939
Energy: 1.9635532061348238
Energy: 1.8234428263899056
Energy: 1.9635532060311505
Energy: 1.8234428263691602
Energy: 1.8857924448833678
Energy: 1.8830612857561133
Energy: 1.8857924448833678
Energy: 1.8830612857561133
Energy: 1.8857924448827579
Energy: 1.8830612857555034
Energy: 1.8863834447119554
Energy: 1.8780473008869643
Energy: 1.8863834447125658
Energy: 1.8780473008906253
Energy: 1.8863834447125658
Energy: 1.8780473008802523
Energy: 1.8658338448006055
Energy: 1.8348538083207024
Energy: 1.8658338448024359
Energy: 1.8348538083182617
Energy: 1.8658338448042666
Energy: 1.8348538083133803
Energy: 1.8631393096567024
Energy: 1.889059172118117
Energy: 1.8631393096567024
Energy: 1.889059172118117
Energy: 1.8631393096567024
Energy: 1.889059172118117
Energy: 1.8315927825573286
Energy: 1.9194578026495044
Energy: 1.8315927825573286
Energy: 1.919457802647674
Energy: 1.8315927825567184
Energy: 1.9194578026440132
Energy: 1.8845232426822904
Energy: 1.8552503660320905
Energy: 1.8845232426792398
Energy: 1.855250366033311
Energy: 1.8845232426829006
Energy: 1.8552503660327009
Energy: 1.827015759242336
Energy: 1.8635547655135036
Energy: 1.827015759242336
Energy: 1.8635547655135036
Energy: 1.8270157592398952
Energy: 1.8635547655135036

minimum gb energy = 1.8234428263691602 eV
minimum distance =  2.27871875900208 Angstroms
sigma value = 101


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

Energy: 1.8952020527038278
Energy: 1.8272294971188026
Energy: 1.8952020527032913
Energy: 1.8272294971188026
Energy: 1.895202052704364
Energy: 1.827229497119339
Energy: 1.8264272149615008
Energy: 1.797080689332806
Energy: 1.8264272149609644
Energy: 1.7842170648401385
Energy: 1.8264272149615008
Energy: 1.784217064839066
Energy: 1.81619690193672
Energy: 1.794830951774969
Energy: 1.816196901935647
Energy: 1.794830951774969
Energy: 1.8161969019351105
Energy: 1.794830951774969
Energy: 1.7658094443509857
Energy: 1.8480282728557775
Energy: 1.7658094443509857
Energy: 2.0063661262498784
Energy: 1.765809444350449
Energy: 1.8196024019603554
Energy: 1.7833414639459297
Energy: 1.8038580997220166
Energy: 1.7833414639464662
Energy: 1.8038580997225528
Energy: 1.7833414639459297
Energy: 1.8038580997236258
Energy: 1.7869795033262073
Energy: 1.7929159903136311
Energy: 1.786979503325671
Energy: 1.7929159903125584
Energy: 1.786979503325671
Energy: 1.7929159903114857
Energy: 1.7839538294434287
Energy: 1.8317950506957068
Energy: 1.783953829445574
Energy: 1.8317950506967797
Energy: 1.783953829443965
Energy: 1.8317950506962435
Energy: 1.7755979848405625
Energy: 1.8685397897510498
Energy: 1.7755979848405625
Energy: 1.992042524741529
Energy: 1.775597984840026
Energy: 1.8198695378709002
Energy: 1.7877676488567444
Energy: 1.7865849864776941
Energy: 1.787767648856208
Energy: 1.786584986477158
Energy: 1.787767648856208
Energy: 1.786584986477158
Energy: 1.8020165153172705
Energy: 1.7923637245720871
Energy: 1.8020165153209762
Energy: 1.828002459400391
Energy: 1.8020165153156615
Energy: 1.8108215489036774
Energy: 1.7790688523070095
Energy: 2.0404117873532464
Energy: 1.7790688523070095
Energy: 2.040411787348955
Energy: 1.7790688523070095
Energy: 2.04041178736017
Energy: 1.83757663795552
Energy: 1.7837612933254166
Energy: 1.837576637958738
Energy: 1.7837612933248803
Energy: 1.8375766379560563
Energy: 1.7837612933238074
Energy: 1.7695573297282543
Energy: 1.7922442651461363
Energy: 1.7695573297282543
Energy: 1.7922442651461363
Energy: 1.7695573297282543
Energy: 1.7922442651450634
Energy: 1.8069811514342498
Energy: 1.8625177636440928
Energy: 1.806981151432104
Energy: 1.9342729618627306
Energy: 1.806981151432104
Energy: 1.8609004505069475
Energy: 1.8026926529179912
Energy: 1.799221301209377
Energy: 1.802692652919064
Energy: 1.799221301209377
Energy: 1.8026926529185274
Energy: 1.7992213012083043
Energy: 1.8165863727592382
Energy: 1.7983863073315276
Energy: 1.8165863727613838
Energy: 1.7983863073315276
Energy: 1.8165863727544111
Energy: 1.7983863073315276
Energy: 1.7673941492436536
Energy: 1.8482642959850761
Energy: 1.767394149243117
Energy: 1.8482642959850761
Energy: 1.7673941492441898
Energy: 1.8482642959823945
Energy: 1.7731492110810017
Energy: 1.7921969555229107
Energy: 1.7731492110799292
Energy: 1.7921969555229107
Energy: 1.7731492110815381
Energy: 1.7921969555223745
Energy: 1.786561788913163
Energy: 1.7869167390541076
Energy: 1.7865617889126268
Energy: 1.786916739053571
Energy: 1.786561788914772
Energy: 1.786916739053571
Energy: 1.803187810947202
Energy: 1.7864789591795447
Energy: 1.803187810945056
Energy: 1.7864789591811536
Energy: 1.8031878109455926
Energy: 1.7864789591790085
Energy: 1.7754837220952657
Energy: 2.0072553672633138
Energy: 1.7754837220952657
Energy: 2.0072553672606324
Energy: 1.7754837220958022
Energy: 2.007255367262241
Energy: 1.8719232829967003
Energy: 1.784598483783223
Energy: 1.8719232829988457
Energy: 1.78459848378215
Energy: 1.8719232829924095
Energy: 1.7845984837826865
Energy: 1.8615101065260806
Energy: 1.7916239365216293
Energy: 1.86151010652769
Energy: 1.7916239365221653
Energy: 1.8615101065255444
Energy: 1.7916239365210929
Energy: 1.7664605111204503
Energy: 1.95624902803161
Energy: 1.7664605111204503
Energy: 1.9562490280321463
Energy: 1.7664605111209866
Energy: 1.9562490280294644
Energy: 1.8373081379504614
Energy: 1.7977823663962507
Energy: 1.8373081379488525
Energy: 1.7977823663957142
Energy: 1.837308137948316
Energy: 1.7977823663962507
Energy: 1.7717216443526478
Energy: 1.7975354416645672
Energy: 1.7717216443521113
Energy: 1.7975354416624216
Energy: 1.7717216443537203
Energy: 1.7975354416634943
Energy: 1.8096786880339286
Energy: 1.8634942988206684
Energy: 1.8096786880344649
Energy: 1.863494298819596
Energy: 1.8096786880355378
Energy: 1.8634942988212049
Energy: 1.8090417559123237
Energy: 1.7972987437594798
Energy: 1.8090417559117877
Energy: 1.7972987437578707
Energy: 1.8090417559128602
Energy: 1.7972987437589434
Energy: 1.9593915091332552
Energy: 1.7868064246888102
Energy: 1.9593915091332552
Energy: 1.7868064246893463
Energy: 1.9593915091321823
Energy: 1.7868064246888102
Energy: 1.7724870727511446
Energy: 1.7977101281786203
Energy: 1.772487072752217
Energy: 1.797710128179157
Energy: 1.7724870727506081
Energy: 1.7977101281786203
Energy: 1.7750502233583998
Energy: 1.813972480307797
Energy: 1.7750502233589363
Energy: 1.81397248030887
Energy: 1.7750502233600092
Energy: 1.8139724803099422
Energy: 1.8726500735608425
Energy: 1.7967008907592177
Energy: 1.8726500735656697
Energy: 1.7967008907549755
Energy: 1.8726500735667422
Energy: 1.7967008907608266
Energy: 1.8662571631726084
Energy: 1.789709819743621
Energy: 1.8662571631715354
Energy: 1.789709819742548
Energy: 1.8662571631720717
Energy: 1.7897098197430843

minimum gb energy = 1.765809444350449 eV
minimum distance =  2.28287003450314 Angstroms
sigma value = 33


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

Energy: 0.018507724900936856
Energy: 1.134486061563399
Energy: 0.01850772490054072
Energy: 1.134486061563399
Energy: 0.018507724900936856
Energy: 1.1344860615638444
Energy: 0.01956709133928805
Energy: 0.3519482903303629
Energy: 0.019567091338842397
Energy: 0.3519482903303629
Energy: 0.019567091338842397
Energy: 0.3519482903303629
Energy: 1.1349575040353002
Energy: 0.35269060944941905
Energy: 1.1349878024776165
Energy: 0.35269060884224457
Energy: 1.1349850437958822
Energy: 0.3526906082376946
Energy: 0.019567091338000612
Energy: 0.35194829032862973
Energy: 0.01956709133755496
Energy: 0.351948290329521
Energy: 0.019567091338396743
Energy: 0.3519482903299667

minimum gb energy = 0.01850772490054072 eV
minimum distance =  2.53452693900667 Angstroms
sigma value = 1