Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553245961666107
cohesive_energy=4.122759350632683
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.012774013194862441
Energy: 0.012894167936829938
Energy: 2.7708689773750628
Energy: 0.012894167936829938
Energy: 0.012894167935852501
Energy: 0.013173689769628487
Energy: 0.4267309479492563
Energy: 0.013173689769628487
Energy: 2.7708689773740574
Energy: 0.4267309479492563
Energy: 0.42638300433142823
Energy: 0.4267309479492563
Energy: 0.012894167936829938
Energy: 0.013173689769628487
Energy: 0.42673094794827887
Energy: 0.013173689769628487

minimum gb energy = 0.012774013194862441 eV
minimum distance =  2.4700543339926 Angstroms
sigma value = 1


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

Energy: 1.3938973279411884
Energy: 1.2075932958019082
Energy: 2.238087637241558
Energy: 1.2075932958019082
Energy: 1.4254043876222964
Energy: 0.8936894287714997
Energy: 1.0405743845464808
Energy: 0.8936894287714997
Energy: 1.5875514352461755
Energy: 0.9043667260011622
Energy: 0.8974641946535512
Energy: 0.9043667259999428
Energy: 1.3117356232120703
Energy: 0.8956948645391482
Energy: 0.97652819442861
Energy: 0.8956948645403674
Energy: 1.3122627210596711
Energy: 0.8955141503500572
Energy: 1.282957352964133
Energy: 0.895514150348838
Energy: 1.4246110974106525
Energy: 0.8897365268951076
Energy: 0.8888650238484883
Energy: 0.8897365268951076
Energy: 1.0918406948052912
Energy: 1.1412701459802788
Energy: 0.8887712116565761
Energy: 1.1412701459814982
Energy: 0.8944902687533353
Energy: 0.8880892970452164
Energy: 1.2742720736193875
Energy: 0.8880892970452164
Energy: 1.09983422481974
Energy: 1.0346898721281736
Energy: 1.2628652385283268
Energy: 1.0346898721281736
Energy: 1.4472438429210488
Energy: 1.137488151243856
Energy: 1.1221496489136846
Energy: 1.1374881512426367
Energy: 0.8926733099564641
Energy: 1.1052460404597686
Energy: 1.1815751922965907
Energy: 1.1052460404609878
Energy: 0.8923842453706697
Energy: 0.892227174993329
Energy: 1.7806057896168064
Energy: 0.8922271749945483
Energy: 1.0774452706172872
Energy: 1.039903177690809
Energy: 1.3158600286997653
Energy: 1.0399031776895897
Energy: 0.90361569030845
Energy: 1.1394160228213333
Energy: 1.3536996916437964
Energy: 1.1394160228213333
Energy: 0.9062727015302692
Energy: 0.888275435670111
Energy: 1.4201068938823629
Energy: 0.888275435670111
Energy: 0.9605066885004593
Energy: 0.8882727826900717
Energy: 1.4232429690904536
Energy: 0.8882727826900717
Energy: 0.9036437710452888
Energy: 1.1392047176830318
Energy: 1.3560503543507996
Energy: 1.1392047176830318
Energy: 1.0817090085279646
Energy: 1.1049985634762296
Energy: 1.2923319927821557
Energy: 1.1049985634762296
Energy: 0.8924502723024925
Energy: 0.8924095781967614
Energy: 1.8106287897761557
Energy: 0.8924095781967614
Energy: 0.892834666485155
Energy: 1.0394798770670708
Energy: 1.094821208299529
Energy: 1.0394798770682903
Energy: 1.446206184027402
Energy: 1.1371752232682275
Energy: 1.1137470286225595
Energy: 1.1371752232682275
Energy: 1.0934116723933995
Energy: 1.0281294416587785
Energy: 1.2627216460651152
Energy: 1.0281294416587785
Energy: 1.1165149871386117
Energy: 0.8881505825894875
Energy: 1.0899867619721437
Energy: 0.8881505825882684
Energy: 1.258737938567015
Energy: 1.1401527831632159
Energy: 0.8888186321516098
Energy: 1.1401527831619969
Energy: 1.4229923437701484
Energy: 0.8897027094612104
Energy: 0.8888934291596232
Energy: 0.8897027094612104
Energy: 1.3541262593335823
Energy: 0.8942949873898761
Energy: 1.2818777583464782
Energy: 0.8942949873898761
Energy: 1.2839669932458573
Energy: 0.8957232497239294
Energy: 0.9044349801204814
Energy: 0.89572324972271
Energy: 1.5876800269730027
Energy: 0.9043191959175209
Energy: 0.9234359162934468
Energy: 0.9043191959175209
Energy: 1.4262645199213309
Energy: 0.8935482366675775
Energy: 1.0408675183368774
Energy: 0.8935482366675775
Energy: 1.3878563738144627
Energy: 1.1513704468521904
Energy: 0.9046339943302099
Energy: 1.1513704468521904
Energy: 1.4260122291504902
Energy: 0.8934949527403547
Energy: 0.9777846277994349
Energy: 0.8934949527403547
Energy: 1.4248877718398947
Energy: 0.8915665711287974
Energy: 0.8978502247606784
Energy: 0.8915665711300168
Energy: 1.3126986397798714
Energy: 0.8951640028392116
Energy: 0.9764267085370136
Energy: 0.8951640028392116

minimum gb energy = 0.8880892970452164 eV
minimum distance =  2.31698613390751 Angstroms
sigma value = 1


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

Energy: 1.5029634165134194
Energy: 1.2239114411618814
Energy: 2.2928530068764466
Energy: 1.2239114411618814
Energy: 1.3324683272937075
Energy: 1.0672635770638672
Energy: 1.1180523496259966
Energy: 1.0672635770638672
Energy: 1.3418895179454422
Energy: 0.9393901605415013
Energy: 0.9484810332785868
Energy: 0.9393901605428915
Energy: 0.9231958877715446
Energy: 0.9234347644426353
Energy: 1.1180084477043977
Energy: 0.9234347644426353
Energy: 0.9230573445336575
Energy: 0.9239355408170219
Energy: 1.3844357693032516
Energy: 0.9239355408170219
Energy: 1.342882335855793
Energy: 0.9228498547850987
Energy: 0.9232740163909695
Energy: 0.9228498547850987
Energy: 1.0061783442250332
Energy: 0.9947806476557867
Energy: 0.9231752208248406
Energy: 0.9947806476557867
Energy: 0.9227963801021356
Energy: 0.922994613750982
Energy: 1.374333478726056
Energy: 0.922994613750982
Energy: 1.0062086051619104
Energy: 1.0671416979155615
Energy: 1.3418584105674713
Energy: 1.0671416979169515
Energy: 1.1183545563399984
Energy: 0.9240593581718842
Energy: 0.9268264236591242
Energy: 0.9240593581732744
Energy: 1.0100072800893167
Energy: 0.9238729193293189
Energy: 1.3421510795960028
Energy: 0.9238729193293189
Energy: 1.0100151104783752
Energy: 0.9228138875187243
Energy: 1.717021318703407
Energy: 0.9228138875187243
Energy: 1.1182691330085774
Energy: 1.0668609940925355
Energy: 1.3980291936492257
Energy: 1.0668609940925355
Energy: 1.1182691330071872
Energy: 1.0668827905973997
Energy: 1.3984476281929656
Energy: 1.0668827905973997
Energy: 1.0100420840348419
Energy: 0.9229189846308649
Energy: 1.7168316111716462
Energy: 0.9229189846308649
Energy: 1.009997033898559
Energy: 0.923902184119427
Energy: 1.3421761266364136
Energy: 0.923902184119427
Energy: 1.1183545563399984
Energy: 0.9242612298825432
Energy: 0.9268247841592117
Energy: 0.9242612298825432
Energy: 1.0063799126113626
Energy: 1.067224164403144
Energy: 1.341964972862929
Energy: 1.067224164403144
Energy: 0.9227988864672764
Energy: 0.9229933992419451
Energy: 1.374333478726056
Energy: 0.9229933992419451
Energy: 1.0061611099995884
Energy: 0.9943715426987063
Energy: 0.9233587563185754
Energy: 0.9943715426987063
Energy: 1.3415077207332424
Energy: 0.922868050163346
Energy: 0.9232759943202992
Energy: 0.922868050163346
Energy: 0.9230246683606727
Energy: 0.9236220901814204
Energy: 1.38443576929352
Energy: 0.9236220901814204
Energy: 0.9231746976610264
Energy: 0.9237451068376357
Energy: 1.1180084477057877
Energy: 0.923745106839026
Energy: 1.3423065651282235
Energy: 0.9394081252874232
Energy: 0.9481874963106424
Energy: 0.9394081252874232
Energy: 1.3324744340823385
Energy: 1.0672972631029969
Energy: 1.1180523496246066
Energy: 1.0672972631029969
Energy: 1.5029634165134194
Energy: 1.2239114411618814
Energy: 2.2928530068750566
Energy: 1.2239114411618814
Energy: 1.3324683272937075
Energy: 1.0672635770638672
Energy: 1.1180523496259966
Energy: 1.0672635770638672
Energy: 1.3418895179454422
Energy: 0.9393901605428915
Energy: 0.9484810332785868
Energy: 0.9393901605428915
Energy: 0.9231958877715446
Energy: 0.9234347644426353
Energy: 1.1180084477043977
Energy: 0.9234347644426353

minimum gb energy = 0.9227963801021356 eV
minimum distance =  2.30829710152468 Angstroms
sigma value = 25


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

Energy: 1.328133954522136
Energy: 1.0972757946571472
Energy: 2.274891938293713
Energy: 1.0972757946571472
Energy: 1.4354663807192196
Energy: 0.9839164051750051
Energy: 1.1871923062618548
Energy: 0.9839164051750051
Energy: 1.426888592239106
Energy: 0.9970533087185163
Energy: 1.0246894020069
Energy: 0.9970533087185163
Energy: 1.2818539724869031
Energy: 0.9820500113465944
Energy: 1.1051742352968725
Energy: 0.9820500113465944
Energy: 1.2510149015177585
Energy: 0.9818663573713963
Energy: 1.2845682980287885
Energy: 0.9818663573713963
Energy: 1.425907188255343
Energy: 0.9833687140960546
Energy: 0.9827441714241907
Energy: 0.9833687140960546
Energy: 0.9958491481318484
Energy: 0.9819728329097536
Energy: 0.9827742800231072
Energy: 0.9819728329097536
Energy: 0.9978791591912204
Energy: 0.9954596820124642
Energy: 1.452388786192473
Energy: 0.9954596820124642
Energy: 1.0838526982654497
Energy: 1.2080746221113514
Energy: 1.253533435529995
Energy: 1.2080746221113514
Energy: 1.0721778718931847
Energy: 0.9906811108146357
Energy: 1.3151038677814681
Energy: 0.9906811108162518
Energy: 1.0717563948794466
Energy: 1.0653718159928562
Energy: 1.4336879445681976
Energy: 1.0653718159928562
Energy: 1.0893003243434678
Energy: 0.9954976871011413
Energy: 1.4256605290402
Energy: 0.9954976871011413
Energy: 1.0720153039220597
Energy: 0.9903205394443476
Energy: 1.2989308542184466
Energy: 0.9903205394459635
Energy: 1.1271661303166474
Energy: 0.9821406040703323
Energy: 1.251969258812871
Energy: 0.9821406040703323
Energy: 0.9949016682722611
Energy: 0.9957415745327624
Energy: 1.682683051703069
Energy: 0.9957415745343783
Energy: 0.9952046407649148
Energy: 0.9827123886284566
Energy: 0.982853825216771
Energy: 0.9827123886284566
Energy: 1.6955591884269257
Energy: 0.9835105993539905
Energy: 0.9825778853582877
Energy: 0.9835105993539905
Energy: 1.2513583474621555
Energy: 0.9830360810215044
Energy: 1.285053433602852
Energy: 0.9830360810215044
Energy: 1.143521075333202
Energy: 0.9822058831668156
Energy: 1.1052256098154818
Energy: 0.9822058831668156
Energy: 1.270631276070645
Energy: 0.9829668948071786
Energy: 1.0022628602221295
Energy: 0.9829668948071786
Energy: 1.4350722552732083
Energy: 0.983474450064202
Energy: 1.0508107989459976
Energy: 0.983474450064202
Energy: 1.3295364291401708
Energy: 0.990849790392599
Energy: 1.0271410781048522
Energy: 0.990849790392599
Energy: 1.4351112794799556
Energy: 1.127057152174313
Energy: 1.1870422873161746
Energy: 1.127057152174313
Energy: 1.4262478706117905
Energy: 1.0239573321032494
Energy: 1.0239595139691726
Energy: 1.0239573321032494
Energy: 1.251070949314891
Energy: 0.9818957012166114
Energy: 1.0249923577337354
Energy: 0.9818957012166114

minimum gb energy = 0.9818663573713963 eV
minimum distance =  2.32004405349967 Angstroms
sigma value = 9


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

Energy: 1.011777563996151
Energy: 1.0109109273511154
Energy: 2.3591447048891916
Energy: 1.0109109273513126
Energy: 1.0096890219770622
Energy: 1.0265548202544346
Energy: 1.0270959288312573
Energy: 1.0265548202540402
Energy: 1.1336393738035273
Energy: 1.0633168492266893
Energy: 1.1337348117065702
Energy: 1.0633168492266893
Energy: 1.0266057209031254
Energy: 1.0271660430002463
Energy: 1.1397583660537527
Energy: 1.0271660430002463
Energy: 1.0266772332494756
Energy: 1.0267761078014963
Energy: 1.134080311275435
Energy: 1.0267761078014963
Energy: 1.6764426531192218
Energy: 1.0266702437142998
Energy: 1.0266127065825281
Energy: 1.0266702437139272
Energy: 1.1396056268069403
Energy: 1.0274017134369362
Energy: 1.0266864144340027
Energy: 1.0274017134369362
Energy: 1.1344168115366418
Energy: 1.1336545886224945
Energy: 1.5187891166948377
Energy: 1.1336545886226697
Energy: 1.3022499876489289
Energy: 1.0265337862844393
Energy: 1.0093837773696892
Energy: 1.0265337862846364
Energy: 1.3024711985255395
Energy: 1.0096112375203008
Energy: 1.0095023352488464
Energy: 1.0096112375206954
Energy: 1.139835951192101
Energy: 1.1248285817335362
Energy: 1.5203104476073235
Energy: 1.1248285817337114
Energy: 1.1345817363143598
Energy: 1.0093653101586495
Energy: 1.133515714242404
Energy: 1.0093653101582554
Energy: 1.3028581659280543
Energy: 1.0275494696484828
Energy: 1.0275243508099785
Energy: 1.0275494696488554
Energy: 1.1336609512876616
Energy: 1.1034257723436687
Energy: 1.133558801043507
Energy: 1.1034257723432743
Energy: 1.0274799761302331
Energy: 1.027545717840486
Energy: 1.3028581659268932
Energy: 1.027545717840289
Energy: 1.1335102725312647
Energy: 1.0093783685337014
Energy: 1.134532661190141
Energy: 1.0093783685340958
Energy: 1.52026474083312
Energy: 1.1248352896367477
Energy: 1.1398426447870964
Energy: 1.124835289637142
Energy: 1.0094967251859475
Energy: 1.009802577965365
Energy: 1.3024711985251454
Energy: 1.009802577965365
Energy: 1.0093477168494962
Energy: 1.0265266884400135
Energy: 1.302249987648359
Energy: 1.0265266884400135
Energy: 1.5187567110165088
Energy: 1.1336366349428748
Energy: 1.1343517332837174
Energy: 1.1336366349426774
Energy: 1.0266621698070701
Energy: 1.027213869876869
Energy: 1.1396070447588684
Energy: 1.027213869875905

minimum gb energy = 1.0093477168494962 eV
minimum distance =  2.2975161103609 Angstroms
sigma value = 25


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

Energy: 1.1100783018954479
Energy: 1.3545911766248688
Energy: 2.2825023592680878
Energy: 1.3545911766253564
Energy: 1.4861750750160319
Energy: 1.1933095943047083
Energy: 1.1463564336861007
Energy: 1.1933095943051688
Energy: 1.299657016010186
Energy: 1.1495708198703316
Energy: 1.1457873905608342
Energy: 1.1495708198700878
Energy: 1.13423615907985
Energy: 1.1152082075513388
Energy: 1.1481662284131464
Energy: 1.1152082075506342
Energy: 1.235552166974112
Energy: 1.1880786771835992
Energy: 1.4940805499174439
Energy: 1.1880786771835992
Energy: 1.5629688772088095
Energy: 1.0889563073441373
Energy: 1.0887741564039572
Energy: 1.088956307344381
Energy: 1.1943226619524032
Energy: 1.1134223889706565
Energy: 1.1597540713868393
Energy: 1.1134223889704398
Energy: 1.1956394263559837
Energy: 1.2044747494815196
Energy: 1.5164340713019577
Energy: 1.2044747494815196
Energy: 1.1939237223309527
Energy: 1.08885049589392
Energy: 1.0883577047900221
Energy: 1.08885049589392
Energy: 1.2996996194503152
Energy: 1.0888836880757768
Energy: 1.0881955692136656
Energy: 1.0888836880757768
Energy: 1.1169794569827538
Energy: 1.1135893597898638
Energy: 1.43137661207077
Energy: 1.1135893597898638
Energy: 1.1132991193688242
Energy: 1.0882439871999523
Energy: 1.1486307243335132
Energy: 1.088243987200196
Energy: 1.3693761708138665
Energy: 1.1486328375299508
Energy: 1.149064030685502
Energy: 1.1486328375299508
Energy: 1.4909505643517698
Energy: 1.0882481447719483
Energy: 1.3236041324576904
Energy: 1.088248144772192
Energy: 1.4915190970833025
Energy: 1.31681563180454
Energy: 1.3269571269842186
Energy: 1.31681563180454
Energy: 1.4863534460452965
Energy: 1.1154951397400692
Energy: 1.1485677524636637
Energy: 1.1154951397400692
Energy: 1.1135974732292264
Energy: 1.0915122343927464
Energy: 1.1498247666165964
Energy: 1.0915122343927464

minimum gb energy = 1.0881955692136656 eV
minimum distance =  2.28799855996887 Angstroms
sigma value = 17


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

Energy: 1.421668992833707
Energy: 1.3038681015807643
Energy: 2.223524579723989
Energy: 1.3038681015807643
Energy: 1.3491265815488231
Energy: 1.1966525833190418
Energy: 1.1922001948474916
Energy: 1.1966525833190418
Energy: 1.1438927478734324
Energy: 1.1324029707730139
Energy: 1.1537927398561945
Energy: 1.1324029707730139
Energy: 1.1190202638357714
Energy: 1.1184001151400176
Energy: 1.1630211522553573
Energy: 1.1184001151413678
Energy: 1.147841139616869
Energy: 1.205267420955137
Energy: 1.3865632476168495
Energy: 1.205267420955137
Energy: 1.5610962688809964
Energy: 1.2850751006170744
Energy: 1.1286443600039953
Energy: 1.2850751006170744
Energy: 1.3010486762145184
Energy: 1.1171645991437469
Energy: 1.3855715432300542
Energy: 1.1171645991423966
Energy: 1.177751426450521
Energy: 1.1175001132637625
Energy: 1.4358063473476577
Energy: 1.1175001132637625
Energy: 1.1971962594882486
Energy: 1.1274418451219597
Energy: 1.1248810435559264
Energy: 1.1274418451219597
Energy: 1.4245840529166671
Energy: 1.2031373987594718
Energy: 1.126503235907436
Energy: 1.2031373987594718
Energy: 1.122605109909297
Energy: 1.1211598558489755
Energy: 1.4024569071946205
Energy: 1.1211598558489755
Energy: 1.1201713762644356
Energy: 1.1260125149212958
Energy: 1.2605908260985734
Energy: 1.1260125149226463
Energy: 1.4245512194509242
Energy: 1.1786197599138482
Energy: 1.2141068834090025
Energy: 1.1786197599138482
Energy: 1.11999068887712
Energy: 1.1209480594168866
Energy: 1.2106294363944354
Energy: 1.1209480594168866
Energy: 1.1200891888154056
Energy: 1.2092338460646097
Energy: 1.457844145006341
Energy: 1.2092338460646097
Energy: 1.3739812648564111
Energy: 1.1254543573669833
Energy: 1.1241965278656176
Energy: 1.1254543573669833
Energy: 1.1766266907965515
Energy: 1.2794492057981846
Energy: 1.1251416074124387
Energy: 1.2794492057981846
Energy: 1.1664052012575485
Energy: 1.1850942686809076
Energy: 1.3711943143888587
Energy: 1.1850942686809076
Energy: 1.3010595040930164
Energy: 1.2818848179972655
Energy: 1.250121537580812
Energy: 1.2818848179972655
Energy: 1.5212163857634038
Energy: 1.203945482368577
Energy: 1.3707628914063659
Energy: 1.203945482368577
Energy: 1.1278702244710261
Energy: 1.1435248441760972
Energy: 1.3923410652155546
Energy: 1.1435248441760972
Energy: 1.129703293154822
Energy: 1.125829703691356
Energy: 1.1442362915485902
Energy: 1.125829703691356
Energy: 1.3742424729360212
Energy: 1.1446909856024148
Energy: 1.143909493838332
Energy: 1.1446909856024148
Energy: 1.3761247568684676
Energy: 1.2282909994682707
Energy: 1.3975723610334778
Energy: 1.2282909994669204
Energy: 1.3926897943267738
Energy: 1.2292896158480935
Energy: 1.394403171034848
Energy: 1.2292896158480935
Energy: 1.377885062409365
Energy: 1.1445831843346306
Energy: 1.1447712008350828
Energy: 1.1445831843346306
Energy: 1.1295237362582264
Energy: 1.1256053847244567
Energy: 1.130993915091482
Energy: 1.1256053847244567
Energy: 1.1282934188016067
Energy: 1.128147895086813
Energy: 1.3786468003980141
Energy: 1.128147895086813
Energy: 1.1430424720562196
Energy: 1.2093183924476887
Energy: 1.374056685597065
Energy: 1.2093183924476887
Energy: 1.28394247360982
Energy: 1.2852312868361833
Energy: 1.1263045512474021
Energy: 1.2852312868361833

minimum gb energy = 1.1171645991423966 eV
minimum distance =  2.2626880616816 Angstroms
sigma value = 53


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

Energy: 1.0334746903741328
Energy: 1.0485920027334144
Energy: 2.316004387370171
Energy: 1.048592002733732
Energy: 1.034444614493905
Energy: 1.0765814500371154
Energy: 1.0340257801596007
Energy: 1.0765814500374333
Energy: 1.5318844236399065
Energy: 1.1384028084802231
Energy: 1.1146556397968639
Energy: 1.1384028084802231
Energy: 1.1146490383077217
Energy: 1.1384400296655497
Energy: 1.534575993154196
Energy: 1.1384400296658679
Energy: 1.0342416819067495
Energy: 1.0768192361384765
Energy: 1.0342280455875585
Energy: 1.076819236138194
Energy: 2.316004387369853
Energy: 1.0485920027334144
Energy: 1.0334746903741328
Energy: 1.048592002733732
Energy: 1.0340257801592827
Energy: 1.0765814500374333
Energy: 1.034444614494223
Energy: 1.0765814500371154
Energy: 1.1146556397971819
Energy: 1.1384028084802231
Energy: 1.5318844236395888
Energy: 1.1384028084802231
Energy: 1.534575993154196
Energy: 1.1384400296658679
Energy: 1.1146490383074037
Energy: 1.1384400296655497
Energy: 1.0342280455872404
Energy: 1.0768192361384765
Energy: 1.0342416819070324
Energy: 1.0768192361384765
Energy: 1.0334746903741328
Energy: 1.048592002733732
Energy: 2.316004387370489
Energy: 1.0485920027334144
Energy: 1.034444614494223
Energy: 1.0765814500371154
Energy: 1.0340257801592827
Energy: 1.0765814500374333
Energy: 1.5318844236399065
Energy: 1.1384028084805409
Energy: 1.1146556397968639
Energy: 1.1384028084802231

minimum gb energy = 1.0334746903741328 eV
minimum distance =  2.2687444599265 Angstroms
sigma value = 9


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

Energy: 1.2726573811434445
Energy: 1.2833742582123535
Energy: 2.1880983473307336
Energy: 1.2833742582123535
Energy: 1.4741168264292992
Energy: 1.248108613575473
Energy: 1.2312628778132741
Energy: 1.248108613575473
Energy: 1.197477810892552
Energy: 1.160843464859334
Energy: 1.159630800054724
Energy: 1.160843464859334
Energy: 1.201564708367334
Energy: 1.2311042781663617
Energy: 1.2323305526110673
Energy: 1.231104278165211
Energy: 1.2966563331143721
Energy: 1.1553030354289358
Energy: 1.4768371086324632
Energy: 1.1553030354289358
Energy: 1.520880539347697
Energy: 1.2337045267183413
Energy: 1.2583911534686905
Energy: 1.2337045267183413
Energy: 1.215368420317735
Energy: 1.2484266149548477
Energy: 1.5363915815253393
Energy: 1.2484266149559982
Energy: 1.1553597612201865
Energy: 1.2121749642935458
Energy: 1.2376396019015066
Energy: 1.2121749642935458
Energy: 1.215139488204366
Energy: 1.2169386877908381
Energy: 1.215999000950028
Energy: 1.2169386877896877
Energy: 1.2555651189971289
Energy: 1.1594932671920382
Energy: 1.2943741267585376
Energy: 1.1594932671908875
Energy: 1.1726970905502936
Energy: 1.2309546382493612
Energy: 1.567010644873295
Energy: 1.2309546382493612
Energy: 1.5855496215530518
Energy: 1.2779171229366855
Energy: 1.2066511564828128
Energy: 1.277917122935535
Energy: 1.2321218048868967
Energy: 1.1684075110204881
Energy: 1.1702163897124465
Energy: 1.1684075110193375
Energy: 1.2454285644237382
Energy: 1.2624608621204474
Energy: 1.3040017976938305
Energy: 1.2624608621204474
Energy: 1.2777148691573033
Energy: 1.2574634605566972
Energy: 1.2072358640129466
Energy: 1.2574634605566972
Energy: 1.550595412586812
Energy: 1.1685220604910955
Energy: 1.172865696601703
Energy: 1.1685220604910955
Energy: 1.259354748843931
Energy: 1.236371474577095
Energy: 1.6153962689216728
Energy: 1.236371474577095
Energy: 1.1754153870800423
Energy: 1.22731756361736
Energy: 1.2914949772144888
Energy: 1.22731756361736
Energy: 1.5144326456566195
Energy: 1.250413559521268
Energy: 1.2143068789143776
Energy: 1.2504135595224186
Energy: 1.2017709997284147
Energy: 1.2494869686499943
Energy: 1.211834580954754
Energy: 1.2494869686499943
Energy: 1.1570143695540354
Energy: 1.2094664318909558
Energy: 1.4999404110228172
Energy: 1.2094664318909558
Energy: 1.40607143084732
Energy: 1.260619378671512
Energy: 1.255725772548564
Energy: 1.2606193786703614
Energy: 1.3492449478794395
Energy: 1.2316154782928304
Energy: 1.256875172889784
Energy: 1.2316154782928304
Energy: 1.2539205897525214
Energy: 1.1955204427856374
Energy: 1.5007181214138443
Energy: 1.1955204427706805
Energy: 1.2111113556865725
Energy: 1.247352885714512
Energy: 1.1835947600354741
Energy: 1.247352885714512
Energy: 1.3507948035036548
Energy: 1.2250182102688438
Energy: 1.1858296228928662
Energy: 1.2250182102676934
Energy: 1.4717977818683043
Energy: 1.2452053976101518
Energy: 1.3135036344018127
Energy: 1.2452053976101518
Energy: 1.2712165159580497
Energy: 1.2456769133471277
Energy: 1.427800101894661
Energy: 1.2456769133471277
Energy: 1.5019850671290578
Energy: 1.2260874246511213
Energy: 1.198242814203243
Energy: 1.2260874246511213
Energy: 1.2066236151882508
Energy: 1.289298738369543
Energy: 1.1838591430994096
Energy: 1.289298738369543
Energy: 1.1900462392295028
Energy: 1.2318031739475024
Energy: 1.4942482129068193
Energy: 1.2318031739475024
Energy: 1.350011875518734
Energy: 1.2456215080834323
Energy: 1.259263282417028
Energy: 1.2456215080857336
Energy: 1.545480943039541
Energy: 1.2428724668024824
Energy: 1.262589676863194
Energy: 1.2428724668013318
Energy: 1.203920350621968
Energy: 1.209156516387186
Energy: 1.4887510519709592
Energy: 1.209156516387186
Energy: 1.1880807440650212
Energy: 1.2502007876070063
Energy: 1.2118373997639722
Energy: 1.2502007876058556

minimum gb energy = 1.1553030354289358 eV
minimum distance =  2.24392508289611 Angstroms
sigma value = 73


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

Energy: 1.3853073353008736
Energy: 1.2688457003235671
Energy: 2.22937693428929
Energy: 1.2688457003233804
Energy: 1.3445157416796067
Energy: 1.2596210582022926
Energy: 1.2706371879046061
Energy: 1.2596210582022926
Energy: 1.2306527744165832
Energy: 1.2158860242564975
Energy: 1.1739427076941873
Energy: 1.2158860242564975
Energy: 1.2019785490278803
Energy: 1.1807041361877373
Energy: 1.2702344760172766
Energy: 1.1807041361877373
Energy: 1.3559888261668034
Energy: 1.18029352574866
Energy: 1.313782359533613
Energy: 1.1802935257484735
Energy: 1.6491252662509022
Energy: 1.2607667894094476
Energy: 1.184503963269074
Energy: 1.2607667894094476
Energy: 1.234649812081048
Energy: 1.2456015898532078
Energy: 1.4210865512110635
Energy: 1.2456015898526682
Energy: 1.182299582976949
Energy: 1.1804745379873476
Energy: 1.2601245197075368
Energy: 1.1804745379871608
Energy: 1.4069459358516425
Energy: 1.2157663908300154
Energy: 1.3182670755434043
Energy: 1.2157663908298288
Energy: 1.2241666587062288
Energy: 1.2156771206446604
Energy: 1.3058586940139443
Energy: 1.2156771206444945
Energy: 1.1804510244307378
Energy: 1.1803276016966104
Energy: 1.5574112727551344
Energy: 1.1803276016969837
Energy: 1.4872488568041387
Energy: 1.265718538407042
Energy: 1.3142589151132258
Energy: 1.2657185384068554
Energy: 1.3542437694140452
Energy: 1.2589073661490147
Energy: 1.1818254947257911
Energy: 1.258907366148828
Energy: 1.23057684003619
Energy: 1.315800353114795
Energy: 1.5703002084774211
Energy: 1.3158003531146085
Energy: 1.1993574747221092
Energy: 1.1802549958905884
Energy: 1.2477505326072875
Energy: 1.1802549958909614
Energy: 1.3215518942113151
Energy: 1.2160596670890265
Energy: 1.209783351350172
Energy: 1.2160596670890265
Energy: 1.3100862820858306
Energy: 1.2704413320300358
Energy: 1.5758022661059095
Energy: 1.2704413320300358
Energy: 1.3104763942846775
Energy: 1.2702246395351529
Energy: 1.5096704410660533
Energy: 1.2702246395353398
Energy: 1.6134414624589202
Energy: 1.2168069246586202
Energy: 1.2709152565729374
Energy: 1.2168069246577076
Energy: 1.199152249879068
Energy: 1.266756650023277
Energy: 1.1738613549577617
Energy: 1.2667566500230902
Energy: 1.2304948132713078
Energy: 1.283755708581391
Energy: 1.5718325373156654
Energy: 1.2837557085810174
Energy: 1.3547188817809037
Energy: 1.2658953677587004
Energy: 1.1818290134137632
Energy: 1.265895367759053

minimum gb energy = 1.1738613549577617 eV
minimum distance =  2.23949986999514 Angstroms
sigma value = 7


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

Energy: 1.4773355402614365
Energy: 1.2861787280362658
Energy: 2.221579048657161
Energy: 1.2861787280362658
Energy: 1.4086321574387857
Energy: 1.2802278336297948
Energy: 1.2441022098861978
Energy: 1.2802278336297948
Energy: 1.2796947271487187
Energy: 1.2120376450110215
Energy: 1.2130336776905744
Energy: 1.2120376450123123
Energy: 1.2340593626437129
Energy: 1.1832278836626107
Energy: 1.2154728613424353
Energy: 1.1832278836626107
Energy: 1.3025062356603676
Energy: 1.2119806517728247
Energy: 1.1844399905787653
Energy: 1.2119806517728247
Energy: 1.6552039837523267
Energy: 1.1831517221601748
Energy: 1.1857432999299997
Energy: 1.1831517221601748
Energy: 1.2598292057739353
Energy: 1.2942296234557154
Energy: 1.532808548889878
Energy: 1.2942296234557154
Energy: 1.1857509480478678
Energy: 1.1832626857789665
Energy: 1.2967125790142982
Energy: 1.1832626857789665
Energy: 1.3990686035057378
Energy: 1.2122089883743794
Energy: 1.2447319504190275
Energy: 1.2122089883743794
Energy: 1.215614988676842
Energy: 1.183794385754144
Energy: 1.2346881796709328
Energy: 1.183794385754144
Energy: 1.2142889175208167
Energy: 1.2146371931978968
Energy: 1.3575847546429878
Energy: 1.2146371931978968
Energy: 1.5941188943752371
Energy: 1.2620199569786656
Energy: 1.3592213946362548
Energy: 1.2620199569786656
Energy: 1.7214319496043933
Energy: 1.30258238750546
Energy: 1.359669345119524
Energy: 1.3025823875080416
Energy: 1.2646604697214348
Energy: 1.2138206723053997
Energy: 1.6018740653552146
Energy: 1.2138206723053997
Energy: 1.2142430505625113
Energy: 1.2581072297553928
Energy: 1.2302529321404532
Energy: 1.2581072297541018
Energy: 1.551353343954725
Energy: 1.439743276551103
Energy: 1.2832558896333335
Energy: 1.439743276551103
Energy: 1.1836572252392195
Energy: 1.1862433124027572
Energy: 1.2970052459000383
Energy: 1.186243312404048
Energy: 1.2534264316696677
Energy: 1.2842704995851848
Energy: 1.5307327021064214
Energy: 1.2842704995851848
Energy: 1.6518394449138114
Energy: 1.1845051317420432
Energy: 1.1836634637874854
Energy: 1.1845051317420432
Energy: 1.2971539024849044
Energy: 1.2127341145588437
Energy: 1.1840212644139838
Energy: 1.2127341145588437
Energy: 1.2792305281991385
Energy: 1.3151995440997624
Energy: 1.2770094897360638
Energy: 1.3151995440997624
Energy: 1.2300434363431298
Energy: 1.2122048779598937
Energy: 1.2159877904901535
Energy: 1.2122048779598937
Energy: 1.4895008127885354
Energy: 1.2697590840230348
Energy: 1.2767661800804604
Energy: 1.2697590840230348
Energy: 1.3589972678653945
Energy: 1.2903188747806487
Energy: 1.712730950204012
Energy: 1.2903188747806487
Energy: 1.364365101231056
Energy: 1.1834163353756404
Energy: 1.3096231413053467
Energy: 1.1834163353756404
Energy: 1.3598217951032594
Energy: 1.21331721524545
Energy: 1.215842712385358
Energy: 1.2133172152441594
Energy: 1.2311911118235945
Energy: 1.1833556724919772
Energy: 1.215409359894285
Energy: 1.1833556724919772
Energy: 1.297084415693755
Energy: 1.2121946116085105
Energy: 1.3981248837926878
Energy: 1.2121946116072195
Energy: 1.297371512299606
Energy: 1.1829290616721682
Energy: 1.1828347628859186
Energy: 1.1829290616721682
Energy: 1.47489899324529
Energy: 1.3649356790733316
Energy: 1.4748527661540136
Energy: 1.3649356790733316
Energy: 1.182836323978982
Energy: 1.1829516118070897
Energy: 1.297371512299606
Energy: 1.1829516118070897

minimum gb energy = 1.1828347628859186 eV
minimum distance =  2.28255272262435 Angstroms
sigma value = 29


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

Energy: 1.1238713831464076
Energy: 1.2766585229694702
Energy: 2.211295427471374
Energy: 1.2766585229694702
Energy: 1.5046788947522045
Energy: 1.198959865736377
Energy: 1.1767389129181276
Energy: 1.198959865736377
Energy: 1.3804159901465205
Energy: 1.1535581978783132
Energy: 1.1555950381643643
Energy: 1.1535581978787628
Energy: 1.5465352640823296
Energy: 1.276826983373985
Energy: 1.150941886992241
Energy: 1.2768269833731107
Energy: 1.5695153493393774
Energy: 1.2368439359484877
Energy: 1.150638982318709
Energy: 1.236843935949362
Energy: 1.3808421573137226
Energy: 1.15429776969882
Energy: 1.154219830943324
Energy: 1.15429776969882
Energy: 1.4431171761678747
Energy: 1.2314829291457519
Energy: 1.8097617922813474
Energy: 1.2314829291457519
Energy: 1.1201043408453262
Energy: 1.2305707705647044
Energy: 1.8098792984985168
Energy: 1.2305707705642797
Energy: 1.5040641064781077
Energy: 1.1754141172878783
Energy: 1.2386184935596845
Energy: 1.1754141172883028

minimum gb energy = 1.1201043408453262 eV
minimum distance =  2.3484967853041 Angstroms
sigma value = 5


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

Energy: 1.349050656016859
Energy: 1.324795491288064
Energy: 1.9658760338646393
Energy: 1.324795491288064
Energy: 1.5335735678582036
Energy: 1.204231913053915
Energy: 1.3200568892307978
Energy: 1.2042319130611754
Energy: 1.2238323002448144
Energy: 1.2637405791822158
Energy: 1.2229724957490846
Energy: 1.2637405791822158
Energy: 1.2238532232776496
Energy: 1.232318666292757
Energy: 1.361054620624554
Energy: 1.232318666292757
Energy: 1.1726823782681608
Energy: 1.2417040431701853
Energy: 1.1993307985114128
Energy: 1.2417040431701853
Energy: 1.2617332086167479
Energy: 1.2571379023631233
Energy: 1.2030881680848835
Energy: 1.2571379023631233
Energy: 1.300593254489188
Energy: 1.237845843996303
Energy: 1.3745969676638263
Energy: 1.2378458439950837
Energy: 1.3027528829854134
Energy: 1.2528518284099794
Energy: 1.4229247685284492
Energy: 1.2528518284099794
Energy: 1.4721310139330648
Energy: 1.2072630148023338
Energy: 1.3082719972723231
Energy: 1.2072630148023338
Energy: 1.4757804127082403
Energy: 1.2082496758522727
Energy: 1.3100409470351302
Energy: 1.2082496758546557
Energy: 1.2225415800711719
Energy: 1.2526234159629304
Energy: 1.4153128567093571
Energy: 1.2526234159617111
Energy: 1.2226042690833652
Energy: 1.267440102952618
Energy: 1.1923881422887235
Energy: 1.267440102952618
Energy: 1.368883517379739
Energy: 1.2758187532489564
Energy: 1.193998227296741
Energy: 1.2758187532501757
Energy: 1.1968351732528535
Energy: 1.2429464440188795
Energy: 1.194144684427893
Energy: 1.2429464440188795
Energy: 1.2595942154436433
Energy: 1.3230878340063932
Energy: 1.4336465869506472
Energy: 1.3230878340063932
Energy: 1.4774827252076275
Energy: 1.3058160870524091
Energy: 1.3033352234424243
Energy: 1.3058160870524091
Energy: 1.4601396381907727
Energy: 1.237943301018917
Energy: 1.4468201795973559
Energy: 1.237943301018917
Energy: 1.2244919397339116
Energy: 1.261692970048826
Energy: 1.4240346637396883
Energy: 1.2616929700500452
Energy: 1.3297679532978992
Energy: 1.2148884032049787
Energy: 1.2588944977712384
Energy: 1.2148884032037592
Energy: 1.2137389936482825
Energy: 1.2608033742619078
Energy: 1.2027484059011009
Energy: 1.260803374263127
Energy: 1.2246717151459785
Energy: 1.2336034821097857
Energy: 1.2323082672157768
Energy: 1.2336034821097857
Energy: 1.3527322356240417
Energy: 1.2409844839465112
Energy: 1.2188428007670833
Energy: 1.2409844839465112
Energy: 1.224126595550105
Energy: 1.2647796023037516
Energy: 1.218342446458952
Energy: 1.2647796023037516
Energy: 1.423680278986872
Energy: 1.213159972896503
Energy: 1.5941666727587864
Energy: 1.213159972896503
Energy: 1.4193883882113958
Energy: 1.2130106721452143
Energy: 1.5749361493602345
Energy: 1.2130106721439948
Energy: 1.3681542742697799
Energy: 1.2415002736901959
Energy: 1.215278893832701
Energy: 1.2415002736901959
Energy: 1.226257415616211
Energy: 1.2429895539876537
Energy: 1.2182111991902496
Energy: 1.2429895539876537
Energy: 1.2402658110806486
Energy: 1.240874532184915
Energy: 1.446946822751561
Energy: 1.2408745321836956
Energy: 1.2144309653462848
Energy: 1.2642392334134553
Energy: 1.2004863507622825
Energy: 1.2642392334134553
Energy: 1.4390290635058123
Energy: 1.331082410038179
Energy: 1.2834174582950535
Energy: 1.3310824100369596
Energy: 1.296224186437459
Energy: 1.260389858927756
Energy: 1.331549445260332
Energy: 1.260389858927756
Energy: 1.3251578099131445
Energy: 1.1916924709946188
Energy: 1.5340306876446796
Energy: 1.191692470995838
Energy: 1.639106082305554
Energy: 1.28948917625625
Energy: 1.3078726609409255
Energy: 1.2894891762550305

minimum gb energy = 1.1726823782681608 eV
minimum distance =  2.23712329634137 Angstroms
sigma value = 1


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

Energy: 1.2077704851376534
Energy: 1.1930213956082143
Energy: 1.9695291176413918
Energy: 1.1930213956099003
Energy: 1.1716044035158524
Energy: 1.2149283218019535
Energy: 1.2073620676238606
Energy: 1.2149283218019535
Energy: 1.300640550096571
Energy: 1.204963621952383
Energy: 1.2318460832809892
Energy: 1.204963621952383
Energy: 1.1956673843083463
Energy: 1.2039183369243844
Energy: 1.2074702367300536
Energy: 1.2039183369243844
Energy: 1.144967564396306
Energy: 1.192555151602972
Energy: 1.1460071439763884
Energy: 1.192555151602972
Energy: 1.1465428454623234
Energy: 1.1461075429631165
Energy: 1.1459723407158389
Energy: 1.1461075429631165
Energy: 1.208183630825859
Energy: 1.2045588250977934
Energy: 1.3002080896587012
Energy: 1.2045588250977934
Energy: 1.2079589335630327
Energy: 1.202836545397248
Energy: 1.3007170292826165
Energy: 1.202836545397248
Energy: 1.5628874147879075
Energy: 1.192021451773536
Energy: 1.1960092811975687
Energy: 1.192021451773536
Energy: 1.5628874147895935
Energy: 1.192541372139335
Energy: 1.1959614485995702
Energy: 1.192541372139335
Energy: 1.2079507930609048
Energy: 1.202772591883051
Energy: 1.3007170292843024
Energy: 1.202772591883051
Energy: 1.2082200729551211
Energy: 1.2045763410643324
Energy: 1.300208089660387
Energy: 1.2045763410643324
Energy: 1.1459849002518463
Energy: 1.1461900552315911
Energy: 1.145970236202922
Energy: 1.1461900552332769
Energy: 1.1449661507321363
Energy: 1.1925837428904271
Energy: 1.1459402751048793
Energy: 1.1925837428904271
Energy: 1.1959935348600836
Energy: 1.2038711570677962
Energy: 1.2073356330290261
Energy: 1.2038711570677962
Energy: 1.300640550094885
Energy: 1.2049607914290548
Energy: 1.2317833203058615
Energy: 1.2049607914290548
Energy: 1.1715172744444375
Energy: 1.2150058639331711
Energy: 1.2074083946377312
Energy: 1.2150058639331711
Energy: 1.2077704851376534
Energy: 1.1930213956099003
Energy: 1.9695291176447638
Energy: 1.1930213956099003
Energy: 1.1716044035158524
Energy: 1.2149283218019535
Energy: 1.2073620676238606
Energy: 1.2149283218019535
Energy: 1.300640550094885
Energy: 1.204963621952383
Energy: 1.2318460832809892
Energy: 1.204963621952383
Energy: 1.19566738430666
Energy: 1.2039183369243844
Energy: 1.2074702367300536
Energy: 1.2039183369243844
Energy: 1.144967564396306
Energy: 1.192555151602972
Energy: 1.1460071439763884
Energy: 1.192555151602972
Energy: 1.1465428454623234
Energy: 1.1461075429631165
Energy: 1.1459723407158389
Energy: 1.1461075429631165
Energy: 1.208183630825859
Energy: 1.2045588250977934
Energy: 1.3002080896587012
Energy: 1.2045588250977934

minimum gb energy = 1.1449661507321363 eV
minimum distance =  2.23956910302682 Angstroms
sigma value = 17


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

Energy: 1.3854265035935733
Energy: 1.212952265763239
Energy: 1.8788335175709059
Energy: 1.2129522657642808
Energy: 1.4505817721695915
Energy: 1.2618409622529205
Energy: 1.3735136408820114
Energy: 1.2618409622529205
Energy: 1.1859962066233338
Energy: 1.2086525811259534
Energy: 1.2152867894971195
Energy: 1.2086525811259534
Energy: 1.225351785335388
Energy: 1.186811639896374
Energy: 1.3595401600193027
Energy: 1.1868116398953321
Energy: 1.2001490905099603
Energy: 1.2017694661829554
Energy: 1.1981415081583626
Energy: 1.2017694661829554
Energy: 1.2110195477706551
Energy: 1.204684053558419
Energy: 1.19450669620727
Energy: 1.2046840535594607
Energy: 1.2028508482205247
Energy: 1.205162273643331
Energy: 1.1659327659578707
Energy: 1.205162273643331
Energy: 1.202882151300227
Energy: 1.2051012395207297
Energy: 1.2002004446539027
Energy: 1.2051012395207297
Energy: 1.4367984765398725
Energy: 1.192854421721493
Energy: 1.3503067519050465
Energy: 1.192854421722535
Energy: 1.4850388987324765
Energy: 1.1923340382967587
Energy: 1.3473426521362912
Energy: 1.1923340382957168
Energy: 1.2489074580564004
Energy: 1.1878372436229714
Energy: 1.4567780639981256
Energy: 1.1878372436240134
Energy: 1.24706195995193
Energy: 1.1877998402011802
Energy: 1.3743096097975558
Energy: 1.1877998402011802
Energy: 1.2126830580832695
Energy: 1.2089060583019702
Energy: 1.2045904860059315
Energy: 1.2089060583019702
Energy: 1.1751388498944648
Energy: 1.2021040290868497
Energy: 1.2044557238778038
Energy: 1.2021040290868497
Energy: 1.181355526091764
Energy: 1.2196710168172853
Energy: 1.2082838364158566
Energy: 1.2196710168172853
Energy: 1.1844247127722376
Energy: 1.203329410920621
Energy: 1.1834542812425963
Energy: 1.2033294109195787
Energy: 1.3411127284299218
Energy: 1.173291747402466
Energy: 1.2419536618065707
Energy: 1.1732917474055924
Energy: 1.2433666603671942
Energy: 1.2122671231329831
Energy: 1.3639564687333
Energy: 1.2122671231329831
Energy: 1.3460458458688005
Energy: 1.1783969123879978
Energy: 1.3519565739294637
Energy: 1.1783969123900817
Energy: 1.5812043107975287
Energy: 1.1940968348019296
Energy: 1.254860350630179
Energy: 1.1940968348029715
Energy: 1.2916218972829108
Energy: 1.277900946630701
Energy: 1.4404613996388493
Energy: 1.277900946630701
Energy: 1.196552555091457
Energy: 1.2008843198514272
Energy: 1.1656686157372729
Energy: 1.2008843198504326
Energy: 1.3374946789398328
Energy: 1.206359700441734
Energy: 1.245231503788914
Energy: 1.206359700441734
Energy: 1.1892811936566854
Energy: 1.2040690194290196
Energy: 1.161857963380538
Energy: 1.2040690194290196
Energy: 1.20706517105831
Energy: 1.2240889828678614
Energy: 1.3934991083658483
Energy: 1.2240889828678614
Energy: 1.1872776674940575
Energy: 1.2015272575605687
Energy: 1.2077887566609913
Energy: 1.2015272575605687
Energy: 1.1900831944653592
Energy: 1.2024177133991814
Energy: 1.2426522039209094
Energy: 1.2024177133991814
Energy: 1.36320389207501
Energy: 1.17080338564217
Energy: 1.5647438483037512
Energy: 1.17080338564217
Energy: 1.3547059307271252
Energy: 1.1708975699567885
Energy: 1.5634175347141785
Energy: 1.1708975699557467
Energy: 1.1861650158987205
Energy: 1.2018019440983367
Energy: 1.2078955011624948
Energy: 1.2018019440983367
Energy: 1.1884172683714824
Energy: 1.2022258726232284
Energy: 1.2429187828781114
Energy: 1.2022258726221864
Energy: 1.1861281460476312
Energy: 1.2178060313428187
Energy: 1.2078569842418532
Energy: 1.2178060313428187
Energy: 1.1946719995905912
Energy: 1.2042105123508935
Energy: 1.161641104062034
Energy: 1.2042105123508935
Energy: 1.3020014733862528
Energy: 1.2072795394208062
Energy: 1.1659268696396041
Energy: 1.2072795394218483
Energy: 1.2033104737803673
Energy: 1.2010457632623133
Energy: 1.2063445471328555
Energy: 1.2010457632623133
Energy: 1.308264567947759
Energy: 1.1680426838091793
Energy: 1.3634257235489415
Energy: 1.1680426838091793
Energy: 1.5986653684356045
Energy: 1.1932149991609835
Energy: 1.254763392013157
Energy: 1.1932149991609835
Energy: 1.3617852054615973
Energy: 1.1797286717585111
Energy: 1.4369070596363733
Energy: 1.179728671760595

minimum gb energy = 1.161641104062034 eV
minimum distance =  2.23918164743389 Angstroms
sigma value = 89


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

Energy: 1.2742795108913738
Energy: 1.1368809395144233
Energy: 1.7971157633171648
Energy: 1.1368809395141446
Energy: 1.2325257304177466
Energy: 1.322324254546584
Energy: 1.2559136462803395
Energy: 1.322324254546584
Energy: 1.233589671737622
Energy: 1.1271691272747404
Energy: 1.1421298909202395
Energy: 1.1271691272750193
Energy: 1.1537445355827196
Energy: 1.1426602683069322
Energy: 1.3010573592735153
Energy: 1.1426602683066533
Energy: 1.1559342669810897
Energy: 1.1425653327103467
Energy: 1.1249663547692574
Energy: 1.1425653327100675
Energy: 1.1471227395862802
Energy: 1.2724692601779162
Energy: 1.2078021696430477
Energy: 1.272469260177637
Energy: 1.146896589122793
Energy: 1.1275487067248338
Energy: 1.1249376719430313
Energy: 1.127548706725082
Energy: 1.1487966675791919
Energy: 1.154767502521258
Energy: 1.2527420800667686
Energy: 1.1547675025215056
Energy: 1.23434720660941
Energy: 1.1428910159598673
Energy: 1.1275563246497367
Energy: 1.1428910159595884
Energy: 1.1479818762096223
Energy: 1.1424434627379856
Energy: 1.1273198319749818
Energy: 1.1424434627377067
Energy: 1.2304900502516052
Energy: 1.1273861211722844
Energy: 1.2640776817631765
Energy: 1.1273861211722844
Energy: 1.230495869143024
Energy: 1.1277844917897517
Energy: 1.2641106923182666
Energy: 1.1277844917897517
Energy: 1.2344305979523582
Energy: 1.1429885615633908
Energy: 1.127937030810501
Energy: 1.1429885615636695
Energy: 1.233153404225163
Energy: 1.1424175725745291
Energy: 1.1271235352555544
Energy: 1.1424175725745291
Energy: 1.1465807409005149
Energy: 1.143224563905951
Energy: 1.1817235790724543
Energy: 1.1432245639061986

minimum gb energy = 1.1249376719430313 eV
minimum distance =  2.24017087388214 Angstroms
sigma value = 13


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

Energy: 1.1934440743084818
Energy: 1.0981940360993907
Energy: 1.716960446948509
Energy: 1.0981940360993907
Energy: 1.1730966422426998
Energy: 1.2411203462956333
Energy: 1.142952507435907
Energy: 1.2411203462956333
Energy: 1.1576365407587028
Energy: 1.0690143302190362
Energy: 1.1506165243169744
Energy: 1.0690143302178936
Energy: 1.1331909849437063
Energy: 1.1414506265944906
Energy: 1.1448790434410105
Energy: 1.141450626596776
Energy: 1.0950349587847066
Energy: 1.0774886161318649
Energy: 1.1068803474499314
Energy: 1.077488616130722
Energy: 1.2017101467856721
Energy: 1.0780050979499831
Energy: 1.136010058322698
Energy: 1.0780050979499831
Energy: 1.1038423539322386
Energy: 1.0690912326972033
Energy: 1.106041259590844
Energy: 1.0690912326972033
Energy: 1.1101595264381836
Energy: 1.100157713677178
Energy: 1.1046654721144085
Energy: 1.1001577136760352
Energy: 1.1017492984128527
Energy: 1.0772361696730515
Energy: 1.0946213468947033
Energy: 1.0772361696730515
Energy: 1.2707332677075311
Energy: 1.0779981764385018
Energy: 1.1444457351078827
Energy: 1.0779981764373592
Energy: 1.1452180200734015
Energy: 1.0690836456640098
Energy: 1.1519473145381949
Energy: 1.0690836456640098
Energy: 1.1295616401045796
Energy: 1.071371850360021
Energy: 1.101450402254156
Energy: 1.071371850360021
Energy: 1.1612111888588899
Energy: 1.0917526874501158
Energy: 1.1745279493609713
Energy: 1.0917526874489731
Energy: 1.1797751640954217
Energy: 1.0950205859053166
Energy: 1.267242479578387
Energy: 1.0950205859053166
Energy: 1.1452005888335839
Energy: 1.068054240960156
Energy: 1.1510759970154065
Energy: 1.068054240960156
Energy: 1.1296751220124492
Energy: 1.0683198326418732
Energy: 1.156938362611782
Energy: 1.0683198326418732
Energy: 1.1616343573060528
Energy: 1.077225562752102
Energy: 1.0947649494803222
Energy: 1.077225562752102
Energy: 1.1071313226037807
Energy: 1.0778372240359222
Energy: 1.154625023667245
Energy: 1.0778372240359222
Energy: 1.1038872814223608
Energy: 1.0676593211837195
Energy: 1.1104752571036594
Energy: 1.067659321182577
Energy: 1.110176274271217
Energy: 1.0676204821475899
Energy: 1.1038494109901595
Energy: 1.0676204821475899
Energy: 1.1546224560064886
Energy: 1.0778663471176042
Energy: 1.108007399805579
Energy: 1.077866347118747
Energy: 1.0945737211443574
Energy: 1.0772405870112802
Energy: 1.1616343573128574
Energy: 1.0772405870112802
Energy: 1.1569383626094965
Energy: 1.0685242765576703
Energy: 1.1296844641474275
Energy: 1.0685242765576703
Energy: 1.1510759970108355
Energy: 1.0680350809653016
Energy: 1.145203152951172
Energy: 1.0680350809653016
Energy: 1.2671171237613816
Energy: 1.0948285882427187
Energy: 1.1797523982030351
Energy: 1.0948285882438613
Energy: 1.1747007443034934
Energy: 1.0917166998635122
Energy: 1.1612111888543188
Energy: 1.0917166998635122
Energy: 1.101319293378056
Energy: 1.0712076375464448
Energy: 1.1295961321045576
Energy: 1.0712076375453021
Energy: 1.1519473145381949
Energy: 1.0688176234508828
Energy: 1.1452041054484956
Energy: 1.06881762344974
Energy: 1.1444534982641787
Energy: 1.0779945134270965
Energy: 1.2708329325188659
Energy: 1.0779945134259536
Energy: 1.0945378656067344
Energy: 1.07722308369201
Energy: 1.101888209582735
Energy: 1.07722308369201
Energy: 1.1050022764047063
Energy: 1.1002839948772012
Energy: 1.1107687148848053
Energy: 1.1002839948772012
Energy: 1.105956860310111
Energy: 1.069097890629423
Energy: 1.1038369360989155
Energy: 1.069097890629423
Energy: 1.1360709483324989
Energy: 1.0777692150295242
Energy: 1.2016643387463162
Energy: 1.0777692150283813
Energy: 1.106830933821479
Energy: 1.0774886359599058
Energy: 1.094879594019773
Energy: 1.0774886359599058
Energy: 1.1448600167126741
Energy: 1.1414095635929988
Energy: 1.1329871484282674
Energy: 1.1414095635929988

minimum gb energy = 1.0676204821475899 eV
minimum distance =  2.2566543770642 Angstroms
sigma value = 37


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

Energy: 1.2044719713776133
Energy: 1.0442351458906223
Energy: 1.6313815465329153
Energy: 1.0442351458910022
Energy: 1.2212321213160275
Energy: 1.283911803687853
Energy: 1.1461799620460627
Energy: 1.283911803687853
Energy: 1.1300196720150668
Energy: 1.0021163653177692
Energy: 1.1671529943643508
Energy: 1.00211636531797
Energy: 1.1680883993763849
Energy: 1.0266552273339895
Energy: 1.1460433461210553
Energy: 1.0266552273341683
Energy: 1.078462012322572
Energy: 1.0016572428245638
Energy: 1.12418511159451
Energy: 1.0016572428245638
Energy: 1.1682196295717964
Energy: 1.0156048081117215
Energy: 1.0896969674858539
Energy: 1.0156048081119002
Energy: 1.0612143282217859
Energy: 1.0024634691382452
Energy: 1.1000940764234453
Energy: 1.0024634691380443
Energy: 1.1111420016857354
Energy: 1.3635911138830952
Energy: 1.1272426682211039
Energy: 1.3635911138832961
Energy: 1.0594039066567078
Energy: 1.0009148064659963
Energy: 1.0839571511312351
Energy: 1.0009148064657951
Energy: 1.167728102767737
Energy: 1.0161202990155567
Energy: 1.0805871517828878
Energy: 1.0161202990151548
Energy: 1.0672584670874536
Energy: 1.0005161101823468
Energy: 1.1235192343907539
Energy: 1.0005161101823468
Energy: 1.0673702408853372
Energy: 1.0162052157692234
Energy: 1.231628888385499
Energy: 1.0162052157690222
Energy: 1.1303081155924477
Energy: 1.0006280781467844
Energy: 1.1245170565264104
Energy: 1.0006280781465833
Energy: 1.0613655790885577
Energy: 1.000400201851316
Energy: 1.123432174518209
Energy: 1.0004002018515172
Energy: 1.1666479031592092
Energy: 1.0420470159374413
Energy: 1.1229107614174403
Energy: 1.0420470159374413
Energy: 1.1450064114817577
Energy: 1.0432741855604253
Energy: 1.1199332956803656
Energy: 1.043274185560604
Energy: 1.1301445409891022
Energy: 1.0003910226425952
Energy: 1.133512226201513
Energy: 1.0003910226425952
Energy: 1.128720572729388
Energy: 1.0005595362190907
Energy: 1.1233933600974175
Energy: 1.0005595362188897
Energy: 1.0672702058881014
Energy: 1.0002126084496163
Energy: 1.1237055378190748
Energy: 1.0002126084494152
Energy: 1.0675371570239107
Energy: 1.0168824125837523
Energy: 1.1324696930223175
Energy: 1.0168824125837523

minimum gb energy = 1.0002126084494152 eV
minimum distance =  2.25068780272798 Angstroms
sigma value = 25


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

Energy: 1.1323404909287729
Energy: 0.945568372848037
Energy: 1.4137890056028324
Energy: 0.945568372848037
Energy: 1.0701773255988196
Energy: 1.1628760221820844
Energy: 1.039517689975741
Energy: 1.162876022188225
Energy: 1.0315920036288944
Energy: 0.9275150715212285
Energy: 1.0915519937861868
Energy: 0.9275150715212285
Energy: 1.042214566897498
Energy: 0.9745546414306617
Energy: 1.0955255434201832
Energy: 0.9745546414306617
Energy: 1.0298107154541745
Energy: 0.9063974715172411
Energy: 1.0107673492637252
Energy: 0.9063974715187764
Energy: 1.0418943067282171
Energy: 0.9522073779663993
Energy: 1.0486326699262487
Energy: 0.9522073779663993
Energy: 0.984583943546822
Energy: 0.9083602931234911
Energy: 1.0104678411285275
Energy: 0.9083602931234911
Energy: 1.018957758983681
Energy: 0.9117628819054707
Energy: 1.0683186885301095
Energy: 0.9117628819054707
Energy: 0.9713947406573624
Energy: 0.9061307355457247
Energy: 0.9845734295415061
Energy: 0.9061307355457247
Energy: 1.0357735207008252
Energy: 1.2742879576433108
Energy: 1.009151438746602
Energy: 1.2742879576433108
Energy: 0.9730416194386101
Energy: 0.9087272626843159
Energy: 0.9849793772001059
Energy: 0.9087272626843159
Energy: 1.0178233238541325
Energy: 0.91525346866329
Energy: 1.06771978027778
Energy: 0.91525346866329
Energy: 0.9770827113517278
Energy: 0.9060241093345814
Energy: 1.005560446396623
Energy: 0.9060241093345814
Energy: 1.018072917150883
Energy: 1.0114530012964391
Energy: 1.0056399465135228
Energy: 1.0114530012964391
Energy: 1.0188649146619684
Energy: 0.9060319263094204
Energy: 1.0135410575780543
Energy: 0.9060319263094204
Energy: 1.0317642314944147
Energy: 0.905508016146169
Energy: 0.9849983333344667
Energy: 0.905508016146169
Energy: 1.0272906180399572
Energy: 0.9277810903527994
Energy: 1.066436044370088
Energy: 0.9277810903527994
Energy: 0.9795769043733396
Energy: 0.9851082351066733
Energy: 1.0453434042773562
Energy: 0.9851082351066733
Energy: 1.1051947223002716
Energy: 0.9446522454610013
Energy: 1.0144516444476277
Energy: 0.9446522454610013
Energy: 1.0695530036109295
Energy: 0.9714024877391828
Energy: 1.0534681342302317
Energy: 0.9714024877391828
Energy: 1.0272183353958244
Energy: 0.9279103760122481
Energy: 1.0660869685956875
Energy: 0.9279103760122481
Energy: 1.0184448821572532
Energy: 0.9253733781826337
Energy: 1.04536368500807
Energy: 0.9253733781826337
Energy: 1.0190064971468848
Energy: 0.906799286430668
Energy: 1.0101574188720996
Energy: 0.906799286430668
Energy: 1.053320432663003
Energy: 0.9058632954179515
Energy: 1.0317135868599983
Energy: 0.9058632954179515
Energy: 0.9788825657169982
Energy: 0.9070274456205886
Energy: 1.0049105189123586
Energy: 0.9070274456221237
Energy: 1.0269175924204168
Energy: 0.9123258867209922
Energy: 1.0053517759302624
Energy: 0.9123258867209922

minimum gb energy = 0.905508016146169 eV
minimum distance =  2.25778704903104 Angstroms
sigma value = 41


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

Energy: 1.1005934916928648
Energy: 0.880389242750665
Energy: 1.2585368201283065
Energy: 0.880389242750665
Energy: 0.9393900807229003
Energy: 1.0532217240298014
Energy: 0.9690206448840639
Energy: 1.0532217240298014
Energy: 0.9493670243738288
Energy: 0.8529706790306606
Energy: 1.036893799801722
Energy: 0.8529706790306606
Energy: 0.9635506077877011
Energy: 0.9108526804819345
Energy: 0.9676130638091478
Energy: 0.9108526804819345
Energy: 1.010345001812771
Energy: 0.8426477268161247
Energy: 0.9294886334212249
Energy: 0.8426477268148661
Energy: 0.9638039206811566
Energy: 0.9036106669476169
Energy: 0.9635463933541736
Energy: 0.9036106669488756
Energy: 0.9263216361664929
Energy: 0.8305673224926787
Energy: 0.9644744190097818
Energy: 0.8305673224926787
Energy: 0.9664700658486676
Energy: 0.9055922062856703
Energy: 0.9632769359426416
Energy: 0.9055922062856703
Energy: 0.9522046602321976
Energy: 0.830574925901085
Energy: 0.9087525931003859
Energy: 0.830574925901085
Energy: 0.9921620838574137
Energy: 0.9470111508673974
Energy: 0.9632527284129866
Energy: 0.9470111508673974
Energy: 0.9237393147527306
Energy: 0.83229878840884
Energy: 0.917029635803017
Energy: 0.83229878840884
Energy: 0.9418629062400341
Energy: 1.2133177342819335
Energy: 0.9752082987998548
Energy: 1.2133177342819335
Energy: 0.9244129845778293
Energy: 0.8307131880008503
Energy: 0.9160603677835953
Energy: 0.8307131880008503
Energy: 0.9943015849086875
Energy: 0.8372954875101032
Energy: 0.9532936160280971
Energy: 0.8372954875101032
Energy: 0.9496555270168121
Energy: 0.8308472873675418
Energy: 0.9074066515566873
Energy: 0.8308472873675418
Energy: 0.9465950481255315
Energy: 0.9336324570452966
Energy: 1.0209453875309924
Energy: 0.9336324570452966
Energy: 0.9294738966867139
Energy: 0.8306368277818037
Energy: 0.9562843162222515
Energy: 0.8306368277818037
Energy: 0.9678627630091036
Energy: 0.8306796002156414
Energy: 0.967665425763694
Energy: 0.8306796002156414
Energy: 0.9928950827358796
Energy: 0.8426181151416274
Energy: 0.9311378192125459
Energy: 0.8426181151416274
Energy: 0.9732822051322917
Energy: 0.9032274718088311
Energy: 0.9322383329546063
Energy: 0.9032274718075726
Energy: 0.9474039629829736
Energy: 0.8518309122412472
Energy: 1.0145754396240139
Energy: 0.8518309122412472
Energy: 0.940061023866132
Energy: 0.9189520350486291
Energy: 0.9694454083706386
Energy: 0.9189520350486291
Energy: 1.0671789629924011
Energy: 0.8800256277862699
Energy: 0.9333008545244029
Energy: 0.8800256277862699
Energy: 0.9933552606240383
Energy: 0.9155392626050991
Energy: 0.959692511888444
Energy: 0.9155392626050991
Energy: 0.9474294992887204
Energy: 0.8519116911467942
Energy: 1.0145549765153807
Energy: 0.8519116911455354
Energy: 0.9677511536971561
Energy: 0.893436303103891
Energy: 0.9678413395657968
Energy: 0.893436303103891
Energy: 0.9928888127791483
Energy: 0.8425807937856216
Energy: 0.933829489081916
Energy: 0.8425807937856216
Energy: 0.9733124351629243
Energy: 0.842526038632677
Energy: 0.9703722193926734
Energy: 0.842526038632677
Energy: 0.928672754160319
Energy: 0.8307431056484696
Energy: 0.9554633591471172
Energy: 0.8307431056484696
Energy: 0.9658782635084339
Energy: 0.830169071142784
Energy: 0.9666273848491629
Energy: 0.830169071142784
Energy: 0.9500464883578292
Energy: 0.8307168362529993
Energy: 0.9107938369542662
Energy: 0.8307168362529993
Energy: 0.9469328340673552
Energy: 0.834308601595745
Energy: 0.9528151132299756
Energy: 0.834308601595745

minimum gb energy = 0.830169071142784 eV
minimum distance =  2.26043392632772 Angstroms
sigma value = 15


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

Energy: 1.0356936508965047
Energy: 0.8157827273242573
Energy: 1.1413107104697766
Energy: 0.8157827273242573
Energy: 0.9129523686121256
Energy: 0.9691237355102034
Energy: 0.8969903766753078
Energy: 0.9691237355102034
Energy: 0.9643546498007318
Energy: 0.8039258271035377
Energy: 0.9835247347494493
Energy: 0.8039258271035377
Energy: 0.9077884870780567
Energy: 0.8445088552402257
Energy: 0.8972116706162969
Energy: 0.8445088552380932
Energy: 0.961279039903337
Energy: 0.7864643553124882
Energy: 0.8657564249134682
Energy: 0.7864643553124882
Energy: 0.9075454930918321
Energy: 0.8400686133211752
Energy: 0.9004366475984121
Energy: 0.8400686133179766
Energy: 0.8579989769533191
Energy: 0.7776556211771297
Energy: 0.9283287548761606
Energy: 0.7776556211760635
Energy: 0.9015812949892789
Energy: 0.841766155627743
Energy: 0.9005991962853707
Energy: 0.8417661556288094
Energy: 0.9069034771458867
Energy: 0.7698401533670406
Energy: 0.8494562670263627
Energy: 0.7698401533681068
Energy: 0.9020486615728265
Energy: 0.843761060832874
Energy: 0.9033953458139149
Energy: 0.8437610608307416
Energy: 0.8556428621464198
Energy: 0.7695199479087546
Energy: 0.8808543219729476
Energy: 0.7695199479087546
Energy: 0.9017774424213892
Energy: 0.9064867702993104
Energy: 0.9290498608715285
Energy: 0.9064867702982441
Energy: 0.8758192018273896
Energy: 0.7708384400232429
Energy: 0.8599654841819613
Energy: 0.7708384400221766
Energy: 0.9122721017064191
Energy: 0.794137031461973
Energy: 0.887189541489352
Energy: 0.7941370314609069
Energy: 0.8714038509784413
Energy: 0.7698148603812424
Energy: 0.8562945120265106
Energy: 0.7698148603823086
Energy: 0.9013861190209305
Energy: 0.9532098554688017
Energy: 0.9374457177561413
Energy: 0.9532098554666689
Energy: 0.8560579577914678
Energy: 0.7697056477356081
Energy: 0.8823424354714132
Energy: 0.7697056477356081
Energy: 0.9452853208371216
Energy: 0.8711990151048872
Energy: 0.8962575874419414
Energy: 0.8711990151059534
Energy: 0.9064351370512083
Energy: 0.7697753498737233
Energy: 0.8539210498413422
Energy: 0.7697753498737233
Energy: 0.9140402344888013
Energy: 0.7832644654678332
Energy: 0.8981769602191617
Energy: 0.7832644654678332
Energy: 0.8603974315475791
Energy: 0.776961797503387
Energy: 0.9103678625039459
Energy: 0.776961797503387
Energy: 0.8963930720358351
Energy: 0.835256220034882
Energy: 0.9162105596002894
Energy: 0.8352562200338157
Energy: 0.9476702457262327
Energy: 0.7865311946870439
Energy: 0.8663471368221026
Energy: 0.7865311946870439
Energy: 0.9019679884339884
Energy: 0.8426347471517437
Energy: 0.8778211117424904
Energy: 0.8426347471517437
Energy: 0.8819753716451079
Energy: 0.803412775631627
Energy: 0.9620785219389596
Energy: 0.8034127756326932
Energy: 0.8738380477036934
Energy: 0.8529571235442742
Energy: 0.9189752935337148
Energy: 0.8529571235453405
Energy: 1.0094360766520922
Energy: 0.8171199708348889
Energy: 0.8685943020537353
Energy: 0.8171199708348889
Energy: 0.9129697864513072
Energy: 0.8576677098552995
Energy: 0.8776872663697179
Energy: 0.8576677098563658
Energy: 0.8879077482027385
Energy: 0.802217340883464
Energy: 0.9621807645898941
Energy: 0.802217340883464
Energy: 0.8961737063915636
Energy: 0.8427238613663589
Energy: 0.9191065732490816
Energy: 0.8427238613674252
Energy: 0.9480784718972819
Energy: 0.7862566560673286
Energy: 0.8685684896989211
Energy: 0.7862566560673286
Energy: 0.9021307496672398
Energy: 0.8386590442133477
Energy: 0.8982494924071841
Energy: 0.8386590442122815
Energy: 0.8594907387907244
Energy: 0.7770692109610474
Energy: 0.9177377436584868
Energy: 0.7770692109621136
Energy: 0.8997211270686942
Energy: 0.7772557331007662
Energy: 0.9118832428170258
Energy: 0.7772557330997001
Energy: 0.9064391041653871
Energy: 0.769526484459519
Energy: 0.8656454603912658
Energy: 0.7695264844584528
Energy: 0.9056099882739421
Energy: 0.7804000710469057
Energy: 0.9026923445888394
Energy: 0.7804000710479719
Energy: 0.8640608302788397
Energy: 0.7697359025063338
Energy: 0.8823473200321419
Energy: 0.7697359025074

minimum gb energy = 0.7695199479087546 eV
minimum distance =  2.26244831839235 Angstroms
sigma value = 85


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

Energy: 1.0307982812821515
Energy: 0.77946875235575
Energy: 1.0300877007310576
Energy: 0.77946875235575
Energy: 0.8030699700460265
Energy: 0.9079921723544586
Energy: 0.8399978686349028
Energy: 0.9079921723544586
Energy: 0.7883425405191481
Energy: 0.7741631553010049
Energy: 0.9903264462237683
Energy: 0.7741631553010049
Energy: 0.825257707529315
Energy: 0.7591938950121643
Energy: 0.8400413127699076
Energy: 0.7591938950121643
Energy: 0.9396756111855957
Energy: 0.7367067971306378
Energy: 0.7810263586846454
Energy: 0.7367067971306378
Energy: 0.8253197963560701
Energy: 0.7552674598976562
Energy: 0.8367414603439165
Energy: 0.7552674598976562
Energy: 0.7817963065314825
Energy: 0.7357758747343891
Energy: 0.9127899907794818
Energy: 0.7357758747343891
Energy: 0.8268477069485723
Energy: 0.8038258984411333
Energy: 0.8369390983618731
Energy: 0.8038258984411333
Energy: 0.8783832914939081
Energy: 0.7129012604052606
Energy: 0.7956230660787053
Energy: 0.7129012604052606
Energy: 0.8271457214422447
Energy: 0.7683805446122093
Energy: 0.8422630815159095
Energy: 0.7683805446122093
Energy: 0.7710162903579575
Energy: 0.7128229944152381
Energy: 0.8542262052817262
Energy: 0.7128229944152381
Energy: 0.8432220788571307
Energy: 0.7856881934374873
Energy: 0.8421719993430276
Energy: 0.7856881934365624
Energy: 0.8244357735333858
Energy: 0.712568194747557
Energy: 0.7965140090944326
Energy: 0.712568194747557
Energy: 0.8710964729273523
Energy: 0.85306605827048
Energy: 0.8422412154794761
Energy: 0.85306605827048
Energy: 0.7840540034326311
Energy: 0.7129471539406369
Energy: 0.8137958472501723
Energy: 0.7129471539406369
Energy: 0.8306095083931869
Energy: 0.7219611055096188
Energy: 0.8481163650174139
Energy: 0.7219611055096188
Energy: 0.7880126295913131
Energy: 0.7128939908625581
Energy: 0.8123287454663082
Energy: 0.7128939908625581
Energy: 0.8730906067954165
Energy: 0.9039161643399988
Energy: 0.8414224151727645
Energy: 0.9039161643381495
Energy: 0.8191162818865084
Energy: 0.7126398337507367
Energy: 0.7932571236574797
Energy: 0.7126398337507367
Energy: 0.8426233631736147
Energy: 0.816931177210937
Energy: 0.8734406788202254
Energy: 0.816931177210937
Energy: 0.7740034219203854
Energy: 0.7126160131285352
Energy: 0.8463084680008385
Energy: 0.7126160131285352
Energy: 0.8270885653847729
Energy: 0.7057360180052951
Energy: 0.8403914579756081
Energy: 0.7057360180052951
Energy: 0.8583926964073375
Energy: 0.7114942769827786
Energy: 0.795712226951747
Energy: 0.7114942769827786
Energy: 0.8499608884900349
Energy: 0.7672805214176092
Energy: 0.8158037629585964
Energy: 0.7672805214176092
Energy: 0.7831292826472627
Energy: 0.736584759967208
Energy: 0.893350280569993
Energy: 0.736584759967208
Energy: 0.8254307642248682
Energy: 0.755767736745258
Energy: 0.8368785447608804
Energy: 0.755767736745258
Energy: 0.9109435108945448
Energy: 0.7369513493553487
Energy: 0.7814838820205788
Energy: 0.7369513493553487
Energy: 0.858546091467595
Energy: 0.7691472072844934
Energy: 0.7839521336207584
Energy: 0.7691472072835688
Energy: 0.7875689442660582
Energy: 0.7743253876803109
Energy: 0.9531736993931065
Energy: 0.7743253876803109
Energy: 0.8042202210965171
Energy: 0.7618744320106273
Energy: 0.8398334098852128
Energy: 0.7618744320106273
Energy: 0.977323386786428
Energy: 0.7797802352252898
Energy: 0.7833293897891467
Energy: 0.7797802352252898
Energy: 0.8740922769603003
Energy: 0.7815042807973125
Energy: 0.7838526626660167
Energy: 0.7815042807973125
Energy: 0.7873354786525391
Energy: 0.7743188012811741
Energy: 0.9532131027715073
Energy: 0.7743188012811741
Energy: 0.82513496414804
Energy: 0.7587237347706987
Energy: 0.839945037017273
Energy: 0.7587237347706987
Energy: 0.9109816906010813
Energy: 0.7371634599081863
Energy: 0.7831813206859677
Energy: 0.7371634599081863
Energy: 0.8583378140038964
Energy: 0.7674415697391634
Energy: 0.8156487353286398
Energy: 0.7674415697382388
Energy: 0.7830470096269762
Energy: 0.7352460047114512
Energy: 0.8931266449079995
Energy: 0.7352460047123759
Energy: 0.8269125044785961
Energy: 0.8070838962799001
Energy: 0.8368940737713906
Energy: 0.8070838962799001
Energy: 0.8583719508185826
Energy: 0.7114766899165201
Energy: 0.794785890988039
Energy: 0.7114766899165201
Energy: 0.8503777137402718
Energy: 0.7020964235509846
Energy: 0.8295393640135731
Energy: 0.7020964235509846
Energy: 0.7710629280219876
Energy: 0.7116850122198795
Energy: 0.8463776586000642
Energy: 0.7116850122198795
Energy: 0.8429924832684115
Energy: 0.705561654949324
Energy: 0.8409768101730001
Energy: 0.705561654949324
Energy: 0.8190457855443031
Energy: 0.7014719567238065
Energy: 0.7937656980075725
Energy: 0.7014719567238065

minimum gb energy = 0.7014719567238065 eV
minimum distance =  2.270131276906 Angstroms
sigma value = 113


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

Energy: 0.014458680081166053
Energy: 0.01460698899802216
Energy: 1.3542589559858844
Energy: 0.01460698899731126
Energy: 0.015110037168549022
Energy: 0.6564993772066146
Energy: 0.015110037168549022
Energy: 0.6564993772059038
Energy: 1.3542589559858844
Energy: 0.01460698899802216
Energy: 0.014458680081166053
Energy: 0.01460698899731126
Energy: 0.015110037167838122
Energy: 0.6564993772066146
Energy: 0.015110037168549022
Energy: 0.6564993772066146
Energy: 0.014458680081166053
Energy: 0.01460698899802216
Energy: 1.3542589559858844
Energy: 0.01460698899731126
Energy: 0.015110037167838122
Energy: 0.6564993772066146
Energy: 0.015110037168549022
Energy: 0.6564993772066146

minimum gb energy = 0.014458680081166053 eV
minimum distance =  2.41169240409835 Angstroms
sigma value = 1