Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450349977971173
mass=58.6934
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: 0.018156312747533213
Energy: 0.8509206776357087
Energy: 0.018156312747533213
Energy: 0.8509206776357087
Energy: 0.018156312747533213
Energy: 0.8509206776357087
Energy: 0.8509206776357087
Energy: 1.2514382047725614
Energy: 0.8509206776353779
Energy: 1.2514381925144717
Energy: 0.8509206776357087
Energy: 1.251438215113982
Energy: 0.018156312747533213
Energy: 0.8509206776357087
Energy: 0.018156312747533213
Energy: 0.8509206776353779
Energy: 0.018156312747533213
Energy: 0.8509206776357087
Energy: 0.8509206776357087
Energy: 1.2514381983669425
Energy: 0.8509206776353779
Energy: 1.251438196775819
Energy: 0.8509206776357087
Energy: 1.2514381948620532
Energy: 0.018156312747827225
Energy: 0.8509206776357087
Energy: 0.018156312747533213
Energy: 0.8509206776357087
Energy: 0.018156312747533213
Energy: 0.8509206776353779
Energy: 0.8509206776357087
Energy: 1.2514381951811306
Energy: 0.8509206776357087
Energy: 1.251438198206926
Energy: 0.8509206776357087
Energy: 1.251438194560102

minimum gb energy = 0.018156312747533213 eV
minimum distance =  2.33314451512249 Angstroms
sigma value = 1


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

Energy: 2.418129240871105
Energy: 1.8388380522484364
Energy: 2.4181292408631423
Energy: 1.838838052249233
Energy: 2.418129240877474
Energy: 1.8388380522484364
Energy: 2.302082417107615
Energy: 2.0996146303809384
Energy: 2.302082417107615
Energy: 2.099614630392881
Energy: 2.3020824171187617
Energy: 2.0996146304199517
Energy: 2.3975172497615023
Energy: 1.967615976217997
Energy: 2.3975172497615023
Energy: 1.9676159762187933
Energy: 2.3975172497615023
Energy: 1.967615976217997
Energy: 2.3241185105950284
Energy: 2.1596531323622727
Energy: 2.3241185105950284
Energy: 2.1596531323622727
Energy: 2.3241185105958246
Energy: 2.159653132361477
Energy: 2.1916907371458354
Energy: 2.264948352277951
Energy: 2.191690737146632
Energy: 2.264948352269193
Energy: 2.1916907371458354
Energy: 2.2649483522755625
Energy: 2.131432357996676
Energy: 2.1263715211681364
Energy: 2.1314323583970154
Energy: 2.12637152116734
Energy: 2.1314323579982686
Energy: 2.126371521166544
Energy: 2.2332962897965793
Energy: 2.1954111450993468
Energy: 2.233296289797375
Energy: 2.1954111450993468
Energy: 2.2332962897965793
Energy: 2.1954111450993468
Energy: 2.118699067469759
Energy: 2.101174310965223
Energy: 2.118699067471351
Energy: 2.101174310949299
Energy: 2.118699067469759
Energy: 2.101174310938949
Energy: 2.134693684654681
Energy: 2.2123356195251107
Energy: 2.134693684654681
Energy: 2.2123356195251107
Energy: 2.134693684654681
Energy: 2.2123356195251107
Energy: 1.9702323784460778
Energy: 2.1993337596086966
Energy: 1.9702323784349312
Energy: 2.199333759607901
Energy: 1.970232378408657
Energy: 2.1993337596086966
Energy: 2.0804762324216615
Energy: 2.170084168379749
Energy: 2.0804762324638597
Energy: 2.170084168380545
Energy: 2.0804762324097186
Energy: 2.1700841683869143
Energy: 2.13230819521338
Energy: 2.0826635352822898
Energy: 2.132308195217361
Energy: 2.0826635352822898
Energy: 2.1323081952181573
Energy: 2.0826635352822898
Energy: 2.297277030743403
Energy: 1.9881607387947988
Energy: 2.297277030743403
Energy: 1.9881607387947988
Energy: 2.297277030743403
Energy: 1.9881607387940026
Energy: 2.3932901373797324
Energy: 1.9932270668180931
Energy: 2.393290137380528
Energy: 1.9932270668180931
Energy: 2.3932901373797324
Energy: 1.9932270668188896
Energy: 2.1529162598753473
Energy: 1.9854314448851753
Energy: 2.1529162598753473
Energy: 1.9854314448851753
Energy: 2.1529162598769402
Energy: 1.9854314448851753
Energy: 2.4266399585677543
Energy: 1.7739417678453466
Energy: 2.4266399585677543
Energy: 1.7739417678453466
Energy: 2.4266399585677543
Energy: 1.7739417678453466
Energy: 2.0877302361636656
Energy: 2.0519769408610458
Energy: 2.0877302361636656
Energy: 2.051976940861842
Energy: 2.0877302361644623
Energy: 2.0519769408610458
Energy: 2.271325249427383
Energy: 2.355415075424759
Energy: 2.271325249428179
Energy: 2.355415075425556
Energy: 2.2713252494289753
Energy: 2.355415075425556
Energy: 2.117039868646669
Energy: 2.088677117930082
Energy: 2.1170398686482614
Energy: 2.08867711793247
Energy: 2.1170398686434844
Energy: 2.088677117930082
Energy: 2.328413694392028
Energy: 2.0349694494696333
Energy: 2.3284136943928244
Energy: 2.0349694494696333
Energy: 2.328413694392028
Energy: 2.034969449470429
Energy: 2.1050669142568497
Energy: 2.1632495958230047
Energy: 2.105066914254461
Energy: 2.1632495958230047
Energy: 2.1050669142520726
Energy: 2.1632495958230047
Energy: 1.9954574587476048
Energy: 2.422580738446613
Energy: 1.9954574587468088
Energy: 2.4225807384458165
Energy: 1.995457458748401
Energy: 2.422580738446613
Energy: 2.1433013690456466
Energy: 2.177598074153346
Energy: 2.143301368825247
Energy: 2.177598074153346
Energy: 2.1433013690082983
Energy: 2.177598074153346

minimum gb energy = 1.7739417678453466 eV
minimum distance =  2.30819661492769 Angstroms
sigma value = 33


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

Energy: 2.4913314804674416
Energy: 2.097929183685093
Energy: 2.4913314804674416
Energy: 2.097929183685093
Energy: 2.4913314804674416
Energy: 2.097929183685093
Energy: 1.901921206512193
Energy: 1.9944461522775967
Energy: 1.901921206512193
Energy: 1.9944461522775967
Energy: 1.901921206512193
Energy: 1.9944461522775967
Energy: 2.3621905590487047
Energy: 2.090121972313671
Energy: 2.3621905590500636
Energy: 2.090121972313218
Energy: 2.362190559048252
Energy: 2.090121972313671
Energy: 2.196292753671071
Energy: 2.277879984675308
Energy: 2.1962927518137674
Energy: 2.277879984674855
Energy: 2.196292748128557
Energy: 2.277879984674855
Energy: 2.4908721251565216
Energy: 2.515936110050489
Energy: 2.4908721251320665
Energy: 2.5159361100744495
Energy: 2.490872125129802
Energy: 2.515936110067657
Energy: 2.345995271072975
Energy: 2.198482088866399
Energy: 2.345995271072975
Energy: 2.198482088866399
Energy: 2.345995271074787
Energy: 2.198482088867305
Energy: 1.986745754645668
Energy: 2.0562690766208775
Energy: 1.986745754645668
Energy: 2.0562690766204246
Energy: 1.986745754645668
Energy: 2.0562690766213305
Energy: 2.0233825241262884
Energy: 2.13403874115022
Energy: 2.023382524126741
Energy: 2.134038741148409
Energy: 2.0233825241262884
Energy: 2.134038741151126
Energy: 2.222089904213755
Energy: 2.0293830184258925
Energy: 2.2220899042020212
Energy: 2.0293830184313273
Energy: 2.2220899041997577
Energy: 2.0293830184231756
Energy: 1.8035344872163714
Energy: 2.279732935909919
Energy: 1.8035344872489782
Energy: 2.279732935909919
Energy: 1.8035344870036045
Energy: 2.279732935909919
Energy: 2.520199931428076
Energy: 2.017385042639117
Energy: 2.5201999314271704
Energy: 2.0173850426490803
Energy: 2.520199931428982
Energy: 2.0173850426373052
Energy: 2.0574843305688284
Energy: 2.2803441759281213
Energy: 2.057484330567923
Energy: 2.2803441759281213
Energy: 2.0574843305670174
Energy: 2.2803441759276684
Energy: 2.1248989089579062
Energy: 2.005216865397668
Energy: 2.124898908959265
Energy: 2.005216865397668
Energy: 2.124898908959718
Energy: 2.0052168653981206
Energy: 2.173395353784683
Energy: 2.1153714578398684
Energy: 2.1733953537869475
Energy: 2.1153714578394154
Energy: 2.1733953537837776
Energy: 2.1153714578398684
Energy: 2.013823518069175
Energy: 2.1248075248420655
Energy: 2.013823518069628
Energy: 2.1248075248420655
Energy: 2.013823518069628
Energy: 2.124807524842518
Energy: 1.943381558727958
Energy: 2.4966641891634755
Energy: 1.9433815587275052
Energy: 2.4966641891634755
Energy: 1.9433815587275052
Energy: 2.496664189163022
Energy: 2.289526078700656
Energy: 2.1985243150928437
Energy: 2.289526078701562
Energy: 2.1985243150932963
Energy: 2.289526078700656
Energy: 2.1985243150928437
Energy: 2.4899013574024913
Energy: 2.1023688626624963
Energy: 2.4899013574020388
Energy: 2.1023688626624963
Energy: 2.4899013574024913
Energy: 2.1023688626629493
Energy: 2.1491348969033472
Energy: 1.9279105950414839
Energy: 2.1491348969038
Energy: 1.9279133201844572
Energy: 2.1491348969033472
Energy: 1.9279086325555004
Energy: 2.1112427497185977
Energy: 2.514945577990351
Energy: 2.111242749717692
Energy: 2.514945577990351
Energy: 2.1112427497181447
Energy: 2.5149455779908036
Energy: 2.0972134390117123
Energy: 1.8975463046270502
Energy: 2.0972134390108064
Energy: 1.8975463046315788
Energy: 2.0972134390112593
Energy: 1.8975463046293144
Energy: 2.1258583458792915
Energy: 1.9572811529425844
Energy: 2.1258583456009
Energy: 1.957281152954359
Energy: 2.1258583459472224
Energy: 1.957281152947113
Energy: 1.9733090101449786
Energy: 2.169224509481935
Energy: 1.9733090101449786
Energy: 2.1692245094837466
Energy: 1.9733090101458841
Energy: 2.1692245094837466
Energy: 2.4541382596281407
Energy: 2.024727781531127
Energy: 2.454138259627688
Energy: 2.0247277815306743
Energy: 2.454138259627688
Energy: 2.0247277815306743
Energy: 2.4428442381175177
Energy: 2.140110625757243
Energy: 2.4428442381148003
Energy: 2.1401106257327878
Energy: 2.4428442381152533
Energy: 2.1401106257509026
Energy: 2.1517009694165696
Energy: 2.6374995516185527
Energy: 2.1517009694170226
Energy: 2.637499551621723
Energy: 2.1517009694165696
Energy: 2.637499551621723
Energy: 2.1396579655556485
Energy: 2.633981765254683
Energy: 2.1396579655561014
Energy: 2.6339817652542306
Energy: 2.1396579655542896
Energy: 2.633981765255589
Energy: 2.452305090772823
Energy: 2.1802462372284697
Energy: 2.452305090771917
Energy: 2.1802462372284697
Energy: 2.452305090771917
Energy: 2.1802462372289226
Energy: 2.2993555183391323
Energy: 2.0266942101934746
Energy: 2.2993555183395853
Energy: 2.02669421019121
Energy: 2.29935551833868
Energy: 2.026694210195739
Energy: 2.019413381652233
Energy: 2.1950307262779876
Energy: 2.0194133816499686
Energy: 2.195030726276629
Energy: 2.0194133816277784
Energy: 2.19503072627527
Energy: 2.1569544730367505
Energy: 1.983046671404569
Energy: 2.156954473014148
Energy: 1.9830466714050217
Energy: 2.1569544730412793
Energy: 1.983046671404569
Energy: 2.113190627088777
Energy: 1.9189485186327924
Energy: 2.1131906270901353
Energy: 1.9189485186327924
Energy: 2.1131906270892293
Energy: 1.9189485186327924
Energy: 2.1124818162317465
Energy: 2.5140926042116543
Energy: 2.1124818162317465
Energy: 2.5140926042116543
Energy: 2.1124818162317465
Energy: 2.5140926042112013
Energy: 2.164109615889557
Energy: 1.976054827150557
Energy: 2.164109615888652
Energy: 1.976054827150557
Energy: 2.164109615889557
Energy: 1.976054827149651
Energy: 2.4778119258845024
Energy: 2.104261431599928
Energy: 2.477811926026662
Energy: 2.104261431599928
Energy: 2.4778119250380466
Energy: 2.104261431599928
Energy: 2.298757854558615
Energy: 2.190984253121873
Energy: 2.298757854557709
Energy: 2.19098425312142
Energy: 2.2987578545608796
Energy: 2.19098425312142
Energy: 1.7937170742811954
Energy: 2.512902403507199
Energy: 1.793717074282101
Energy: 2.512902403507199
Energy: 1.793717074282101
Energy: 2.5129024035067467
Energy: 2.026809498356232
Energy: 2.124997597742429
Energy: 2.026809498356232
Energy: 2.1249975977410704
Energy: 2.026809498355779
Energy: 2.1249975977401645
Energy: 2.1777713744294105
Energy: 2.111159981580157
Energy: 2.177771374429863
Energy: 2.1111599815797044
Energy: 2.1777713744294105
Energy: 2.1111599815792514
Energy: 2.115868349333284
Energy: 1.9807711158397576
Energy: 2.1158683493355483
Energy: 1.9807711158542083
Energy: 2.1158683493432466
Energy: 1.9807711158610013
Energy: 2.047273943248023
Energy: 2.2358190208020066
Energy: 2.047273943247117
Energy: 2.235819020799289
Energy: 2.0472739432475704
Energy: 2.235819020802912

minimum gb energy = 1.7937170742811954 eV
minimum distance =  2.28534852715977 Angstroms
sigma value = 51


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

Energy: 2.6183487350490653
Energy: 2.013586849378778
Energy: 2.6183487350490653
Energy: 2.013586849378778
Energy: 2.6183487350501147
Energy: 2.013586849378778
Energy: 2.4162046827682904
Energy: 2.1375534490898422
Energy: 2.4162046827682904
Energy: 2.1375534490929904
Energy: 2.4162046827682904
Energy: 2.1375534490898422
Energy: 2.3049119224893277
Energy: 2.419482991678019
Energy: 2.3049119227620487
Energy: 2.419482991678019
Energy: 2.304911922458946
Energy: 2.419482991678019
Energy: 2.15498274382285
Energy: 2.096499623927181
Energy: 2.15498274382285
Energy: 2.096499623930329
Energy: 2.154982743823899
Energy: 2.096499623927181
Energy: 2.515334884436914
Energy: 2.2267235655139093
Energy: 2.5153348844579
Energy: 2.2267235655139093
Energy: 2.5153348844390124
Energy: 2.2267235655139093
Energy: 2.25124507557442
Energy: 2.4476015754978233
Energy: 2.25124507557442
Energy: 2.4476015754967744
Energy: 2.25124507557442
Energy: 2.447601575499922
Energy: 2.098968350385862
Energy: 2.370582308035563
Energy: 2.09896835038796
Energy: 2.370582308034513
Energy: 2.09896835038796
Energy: 2.370582308034513
Energy: 2.077155392257799
Energy: 2.5466111999144982
Energy: 2.077155392257799
Energy: 2.5466111999144982
Energy: 2.077155392257799
Energy: 2.5466111999144982
Energy: 2.148583114961609
Energy: 2.2353243022468434
Energy: 2.148583114958461
Energy: 2.2353243022468434
Energy: 2.148583114961609
Energy: 2.235324302247893
Energy: 2.4230087177514097
Energy: 2.3070075323654966
Energy: 2.4230087177514097
Energy: 2.3070075323654966
Energy: 2.4230087177514097
Energy: 2.3070075323654966
Energy: 2.24162788287247
Energy: 2.2326337980157738
Energy: 2.2416278828703717
Energy: 2.232633798016823
Energy: 2.2416278828703717
Energy: 2.2326337980157738
Energy: 2.5329606946870147
Energy: 2.1388073511686607
Energy: 2.5329606946880645
Energy: 2.1388073511686607
Energy: 2.5329606946880645
Energy: 2.1388073511686607
Energy: 2.2398619880839092
Energy: 2.2441105251329763
Energy: 2.2398619880839092
Energy: 2.2441105251329763
Energy: 2.2398619880839092
Energy: 2.2441105251339786
Energy: 2.3077525580120737
Energy: 2.594488892139254
Energy: 2.307752558006827
Energy: 2.5944888921382048
Energy: 2.3077525580089255
Energy: 2.594488892139254
Energy: 2.0396253974920664
Energy: 2.28662968639223
Energy: 2.0396253974920664
Energy: 2.2866296863911812
Energy: 2.0396253974920664
Energy: 2.2866296863911812
Energy: 2.313233061280785
Energy: 2.301683370419517
Energy: 2.313233061307018
Energy: 2.301683370420566
Energy: 2.313233061311215
Energy: 2.301683370420566
Energy: 2.3317979256462125
Energy: 2.1541686147280608
Energy: 2.3317979256462125
Energy: 2.1541686147280608
Energy: 2.331797925645163
Energy: 2.1541686147280608
Energy: 2.0228555320726143
Energy: 2.3034044277879198
Energy: 2.0228555320736636
Energy: 2.3034044277879198
Energy: 2.0228555320736636
Energy: 2.3034044277879198

minimum gb energy = 2.013586849378778 eV
minimum distance =  2.3298682788439 Angstroms
sigma value = 19


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

Energy: 2.225686483705278
Energy: 1.8134941380891738
Energy: 2.225686483705278
Energy: 1.813494136735431
Energy: 2.225686483704656
Energy: 1.8134941377034492
Energy: 2.0662814873849116
Energy: 1.9748945758613465
Energy: 2.066281487386157
Energy: 1.9748945758619685
Energy: 2.066281487385534
Energy: 1.9748945758619685
Energy: 1.8156164381191158
Energy: 2.4313167223405174
Energy: 1.815616438119738
Energy: 2.4313167223007115
Energy: 1.8156164381147588
Energy: 2.4313167222994663
Energy: 2.321628299785517
Energy: 1.6005050509518748
Energy: 2.32162829978116
Energy: 1.6005050509537135
Energy: 2.321628299781782
Energy: 1.6005050509530911
Energy: 2.2991157478258804
Energy: 2.6597989220277847
Energy: 2.299115747814083
Energy: 2.659798922020966
Energy: 2.2991157478408186
Energy: 2.6597989220346308
Energy: 2.642946163851337
Energy: 2.6988194452751144
Energy: 2.6429461638525824
Energy: 2.6988194446231106
Energy: 2.64294616385196
Energy: 2.6988194459401598
Energy: 2.302298196631958
Energy: 1.6031483893564942
Energy: 2.30229819661951
Energy: 1.6031483893527596
Energy: 2.302298196646273
Energy: 1.6031483893645857
Energy: 1.814479643256203
Energy: 2.4401173384097845
Energy: 1.8144796432593149
Energy: 2.4401173384072945
Energy: 1.814479643257448
Energy: 2.440117338409162
Energy: 2.0786404772706115
Energy: 1.968186084900306
Energy: 2.0786404772699894
Energy: 1.968186084900306
Energy: 2.0786404772706115
Energy: 1.968186084900306
Energy: 2.225686483705278
Energy: 1.8134941340353574
Energy: 2.225686483705278
Energy: 1.8134941330760244
Energy: 2.225686483705278
Energy: 1.8134941342580673
Energy: 2.066281487389269
Energy: 1.9748945758619685
Energy: 2.0662814873886464
Energy: 1.9748945758625909
Energy: 2.0662814873867794
Energy: 1.9748945758625909
Energy: 1.815616438109157
Energy: 2.4313167219149863
Energy: 1.8156164381085345
Energy: 2.4313167219529253
Energy: 1.815616438107912
Energy: 2.431316721894447
Energy: 2.3216282997332627
Energy: 1.6005050509580705
Energy: 2.321628299733885
Energy: 1.6005050509580705
Energy: 2.3216282997313953
Energy: 1.6005050509580705
Energy: 2.299115747684056
Energy: 2.6597989220576603
Energy: 2.29911574772324
Energy: 2.6597989220439673
Energy: 2.2991157477033224
Energy: 2.6597989220514364
Energy: 2.642946163855694
Energy: 2.6988194328815616
Energy: 2.6429461638550724
Energy: 2.698819432091468
Energy: 2.642946163855694
Energy: 2.6988194308615
Energy: 2.302298195953842
Energy: 1.6031483893502703
Energy: 2.302298195931435
Energy: 1.6031483893484026
Energy: 2.302298195948862
Energy: 1.603148389347158
Energy: 1.8144796432512236
Energy: 2.4401173384016928
Energy: 1.8144796432568253
Energy: 2.4401173384010706
Energy: 1.8144796432543355
Energy: 2.4401173383985806
Energy: 2.0786404772706115
Energy: 1.9681860848934598
Energy: 2.078640477271234
Energy: 1.968186084899061
Energy: 2.0786404772706115
Energy: 1.9681860848971942
Energy: 2.225686483705278
Energy: 1.8134941313054365
Energy: 2.225686483704656
Energy: 1.8134941322125149
Energy: 2.225686483705278
Energy: 1.8134941307672776
Energy: 2.066281487385534
Energy: 1.9748945758632133
Energy: 2.0662814873886464
Energy: 1.9748945758619685
Energy: 2.066281487385534
Energy: 1.9748945758625909
Energy: 1.8156164381191158
Energy: 2.431316721977199
Energy: 1.8156164381216051
Energy: 2.431316722012026
Energy: 1.8156164381178708
Energy: 2.4313167219579044
Energy: 2.3216282997824047
Energy: 1.6005050509537135
Energy: 2.3216282997836495
Energy: 1.6005050509537135
Energy: 2.321628299786139
Energy: 1.6005050509530911
Energy: 2.2991157477064346
Energy: 2.659798922029652
Energy: 2.2991157476734747
Energy: 2.6597989220439673
Energy: 2.2991157476734747
Energy: 2.659798922030897
Energy: 2.64294616385445
Energy: 2.698819423366658
Energy: 2.642946163853205
Energy: 2.6988194228098266
Energy: 2.6429461638525824
Energy: 2.698819422381184
Energy: 2.302298197041306
Energy: 1.603148389333465
Energy: 2.3022981970338656
Energy: 1.6031483893315979
Energy: 2.3022981970618455
Energy: 1.6031483893315979
Energy: 1.814479643256203
Energy: 2.4401173384010706
Energy: 1.8144796432555803
Energy: 2.4401173383973362
Energy: 1.814479643256203
Energy: 2.440117338400448
Energy: 2.0786404772706115
Energy: 1.9681860848953268
Energy: 2.078640477271234
Energy: 1.9681860849009285
Energy: 2.078640477271234
Energy: 1.9681860849009285
Energy: 2.225686483705278
Energy: 1.8134941281630268
Energy: 2.225686483705278
Energy: 1.81349412822275
Energy: 2.225686483705278
Energy: 1.8134941264633648
Energy: 2.0662814873917585
Energy: 1.9748945758625909
Energy: 2.0662814873842894
Energy: 1.9748945758632133
Energy: 2.0662814873836672
Energy: 1.9748945758625909
Energy: 1.8156164381128912
Energy: 2.4313167216835345
Energy: 1.8156164381128912
Energy: 2.4313167217177676
Energy: 1.815616438112269
Energy: 2.4313167217028293

minimum gb energy = 1.6005050509518748 eV
minimum distance =  2.35501428354598 Angstroms
sigma value = 27


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

Energy: 2.266119488819173
Energy: 2.134173781061455
Energy: 2.266119488819173
Energy: 2.134173781061455
Energy: 2.266119488819173
Energy: 2.134173781061455
Energy: 2.44577554305893
Energy: 1.8847098610425106
Energy: 2.44577554305893
Energy: 1.8847098610425106
Energy: 2.44577554305893
Energy: 1.8847098610425106
Energy: 1.9097199554682691
Energy: 2.401854469138152
Energy: 1.7604649924020273
Energy: 2.4018544692280677
Energy: 1.9097199554713185
Energy: 2.401854469145775
Energy: 2.1266915879714685
Energy: 1.8969728784712032
Energy: 2.126691587972993
Energy: 1.8969728784773017
Energy: 2.1266915879714685
Energy: 1.896972878472728
Energy: 2.503097713069038
Energy: 2.4204523418039954
Energy: 2.5030977130766607
Energy: 2.4204523418039954
Energy: 2.5030977130751357
Energy: 2.420452341800946
Energy: 2.6242242727464173
Energy: 3.1999642585520456
Energy: 2.6242242727464173
Energy: 3.199964258587111
Energy: 2.6242242727448923
Energy: 3.199964258663306
Energy: 2.2188883735670015
Energy: 1.5468782013019262
Energy: 2.2188883735670015
Energy: 1.5468782013019262
Energy: 2.218888373565477
Energy: 1.5468782013019262
Energy: 2.1982375547243556
Energy: 1.8512154423813745
Energy: 2.1982375547243556
Energy: 1.8512154423813745
Energy: 2.1982375547243556
Energy: 1.8512154423813745
Energy: 2.675923891268292
Energy: 1.885855803199637
Energy: 2.675923891268292
Energy: 1.8858558032438155
Energy: 2.675923891268292
Energy: 1.8858558032179322
Energy: 2.2763691654463414
Energy: 2.1695905108920575
Energy: 2.2763691654417673
Energy: 2.169590510890533
Energy: 2.2763691654432923
Energy: 2.169590510890533
Energy: 2.0991328496459842
Energy: 1.34137841647534
Energy: 2.152185565162177
Energy: 1.34137841647534
Energy: 2.152185565162177
Energy: 1.3413784164738156
Energy: 2.5056541513182085
Energy: 2.4618104109279297
Energy: 2.505654151322782
Energy: 2.4618104109279297
Energy: 2.5056541513212576
Energy: 2.4618104109279297

minimum gb energy = 1.3413784164738156 eV
minimum distance =  2.33091476620206 Angstroms
sigma value = 9


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

Energy: 1.2550559293191925
Energy: 1.871467097662826
Energy: 1.2550559293221908
Energy: 1.8714670976791044
Energy: 1.2550559293200492
Energy: 1.8714670976576855
Energy: 2.52736053647788
Energy: 1.933102369293974
Energy: 2.5273605364774516
Energy: 1.748597566089961
Energy: 2.5273605364774516
Energy: 1.748597566086534
Energy: 1.9791864127005425
Energy: 2.7938683910970954
Energy: 1.9791864127283476
Energy: 2.7938683910970954
Energy: 1.9791864127330598
Energy: 2.7938683910975235
Energy: 1.750620127230779
Energy: 1.8113426175135663
Energy: 1.7506201272303505
Energy: 1.8113426175131377
Energy: 1.7506201272312074
Energy: 1.8113426175131377
Energy: 1.6184236665457685
Energy: 2.091243977198922
Energy: 1.6184236665453404
Energy: 2.091243977198065
Energy: 1.6184236665457685
Energy: 2.091243977198065
Energy: 2.9607459679538777
Energy: 2.5492825369012286
Energy: 2.9607459679538777
Energy: 2.546137952686613
Energy: 2.9607459679538777
Energy: 2.5461379526968937
Energy: 2.4002744778922716
Energy: 2.1141620300417894
Energy: 2.4002744778922716
Energy: 2.114162030043074
Energy: 2.4002744778927
Energy: 2.114162030043074
Energy: 1.3970227454962556
Energy: 1.8623287128875647
Energy: 1.397022745495399
Energy: 1.8623287128879933
Energy: 1.3970227454971125
Energy: 1.8623287128884218
Energy: 2.6283453436250404
Energy: 2.2693942392280095
Energy: 2.6283453436250404
Energy: 2.2693942392408606
Energy: 2.6283453436250404
Energy: 2.269394239217729
Energy: 2.144699143700177
Energy: 2.7460192272822757
Energy: 2.144699143682185
Energy: 2.699433798554902
Energy: 2.144699143729734
Energy: 2.746019227280562
Energy: 2.0001814593868574
Energy: 1.0796646667156786
Energy: 2.0001814593868574
Energy: 1.0796646673078447
Energy: 2.0001814593868574
Energy: 1.0796646668839511
Energy: 1.5703217232190736
Energy: 1.8893163486492273
Energy: 1.5703217232374544
Energy: 1.889316348655653
Energy: 1.5703217232109346
Energy: 1.889316348652226
Energy: 2.6633026312940227
Energy: 2.302861438177976
Energy: 2.6633026312940227
Energy: 2.3028614381895425
Energy: 2.6633026312940227
Energy: 2.3028614381643076
Energy: 2.213091789298391
Energy: 2.253245002491643
Energy: 2.213091789298391
Energy: 2.2532450024924997
Energy: 2.213091789297962
Energy: 2.253245002491643
Energy: 1.7339586699936143
Energy: 1.8176904241572927
Energy: 1.7339586699927574
Energy: 1.8176904241572927
Energy: 1.7339586699936143
Energy: 1.8176904241564358
Energy: 2.3808291397084527
Energy: 2.4140878105625085
Energy: 2.380829139709738
Energy: 2.4140878105625085
Energy: 2.380829139709309
Energy: 2.4140878105620804
Energy: 2.269673735697404
Energy: 2.6502534122226002
Energy: 2.2696737356879795
Energy: 2.650253412237554
Energy: 2.269673735696976
Energy: 2.650253412217888
Energy: 1.963117172785355
Energy: 1.440284751292761
Energy: 1.9631171727849266
Energy: 1.4402847512889059
Energy: 1.963117172784498
Energy: 1.4402847512897625
Energy: 1.7138268594592534
Energy: 2.211939085305933
Energy: 1.7138268594613952
Energy: 2.211939085305505
Energy: 1.7138268594596817
Energy: 2.211939085305933
Energy: 2.6230403079402365
Energy: 2.0874866053378516
Energy: 2.623040307939808
Energy: 2.0874866053391363
Energy: 2.623040307940665
Energy: 2.11319822973231
Energy: 1.7135229308381759
Energy: 2.213714716474606
Energy: 1.7135229308411744
Energy: 2.213714716473749
Energy: 1.7135229308501703
Energy: 2.213714716473321
Energy: 1.953519297506397
Energy: 1.6628148695182725
Energy: 1.9535192975329558
Energy: 1.662814869517416
Energy: 1.9535192975046831
Energy: 1.662814869518701
Energy: 2.2585042974964025
Energy: 2.6645265036315697
Energy: 2.2585042974964025
Energy: 2.6645265036319983
Energy: 2.25850429749683
Energy: 2.6645265036319983
Energy: 2.41923458636496
Energy: 2.290413424506028
Energy: 2.4192345863645315
Energy: 2.290413424511558
Energy: 2.4192345863645315
Energy: 2.290413424509455
Energy: 1.7541446065763866
Energy: 1.8217003037550947
Energy: 1.7541446065763866
Energy: 1.8217003037555233
Energy: 1.7541446065763866
Energy: 1.8217003037550947
Energy: 2.2000983188169587
Energy: 2.0510070207924906
Energy: 2.2000983188212424
Energy: 2.0510070207916344
Energy: 2.2000983188212424
Energy: 2.0510070207916344
Energy: 2.6538201365053973
Energy: 2.2901409392448406
Energy: 2.6538201365036835
Energy: 2.290140939246126
Energy: 2.653820136501542
Energy: 2.290140939243127
Energy: 1.569307186690691
Energy: 1.8060057094492643
Energy: 1.569307186867959
Energy: 1.8060057094496929
Energy: 1.569307186562218
Energy: 1.8060057094496929
Energy: 1.8223919751119695
Energy: 1.3499182818354758
Energy: 1.8223919754151405
Energy: 1.3499182817219963
Energy: 1.8223919752446875
Energy: 1.3499182818016344
Energy: 2.040336291113603
Energy: 2.6851096662361056
Energy: 2.0403362928990982
Energy: 2.6851096662361056
Energy: 2.040336290082978
Energy: 2.6851096662361056
Energy: 2.609160441066199
Energy: 2.263348927602191
Energy: 2.609160441075623
Energy: 2.263348927598764
Energy: 2.6091604410691978
Energy: 2.2633489276017627
Energy: 1.3890634340978736
Energy: 1.8729284590308861
Energy: 1.3890634340987302
Energy: 1.8729284590313144
Energy: 1.3890634340961598
Energy: 1.872928459029601
Energy: 2.3671433463779734
Energy: 2.104546458644531
Energy: 2.36714334637883
Energy: 2.104546458641104
Energy: 2.367143346378402
Energy: 2.104546458645816
Energy: 2.9566033005901087
Energy: 2.349123776442665
Energy: 2.9566033005875383
Energy: 2.3491237764465205
Energy: 2.9566033005888235
Energy: 2.349123776442237
Energy: 1.6024615322342906
Energy: 2.0809657043019585
Energy: 1.6024615322312916
Energy: 2.080965704299388
Energy: 1.6024615322308635
Energy: 2.080965704299816
Energy: 1.730185814076459
Energy: 1.6513142950428357
Energy: 1.7301858140884536
Energy: 1.6513144744301775
Energy: 1.7301858140854547
Energy: 1.6513141268875724
Energy: 1.9899691349345563
Energy: 2.8092122224689398
Energy: 1.989969134968787
Energy: 2.8092122224685117
Energy: 1.989969134935841
Energy: 2.8092122224689398
Energy: 2.5149178896364743
Energy: 1.9580181057965587
Energy: 2.5149178896381876
Energy: 1.95801810579356
Energy: 2.5149178896364743
Energy: 1.9580181057952737
Energy: 1.2550559293196206
Energy: 1.8714670976713936
Energy: 1.2550559293191925
Energy: 1.871467097674392
Energy: 1.2550559293196206
Energy: 1.8714670976718215
Energy: 2.5273605364924445
Energy: 1.7485975660193185
Energy: 2.5273605365082945
Energy: 1.748597566011608
Energy: 2.5273605364765945
Energy: 1.7485975660008986
Energy: 1.9791864131856545
Energy: 2.7938683910988087
Energy: 1.9791864131779437
Energy: 2.7938683910983806
Energy: 1.979186413194222
Energy: 2.7938683910992372
Energy: 1.7506201272299227
Energy: 1.811342617524665
Energy: 1.7506201272290656
Energy: 1.8113426175255216
Energy: 1.7506201272294941
Energy: 1.811342617524665
Energy: 1.6184236665444836
Energy: 2.091243977202777
Energy: 1.618423666544055
Energy: 2.0912439772014926
Energy: 1.618423666544055
Energy: 2.0912439772014926

minimum gb energy = 1.0796646667156786 eV
minimum distance =  2.32265901170228 Angstroms
sigma value = 57


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

Energy: 0.4234451249388464
Energy: 0.4594182204579548
Energy: 0.4234451249388464
Energy: 0.4594182204579548
Energy: 0.4234451249388464
Energy: 0.4594182204569796
Energy: 1.5001031844694062
Energy: 2.584618127163315
Energy: 1.5001031844694062
Energy: 2.58461812716039
Energy: 1.5001031844694062
Energy: 2.5846181271574644
Energy: 2.0717865620454075
Energy: 2.459353678930479
Energy: 2.0717865620444327
Energy: 2.459353678930479
Energy: 2.0717865620434575
Energy: 2.459353678930479
Energy: 0.4363226610986635
Energy: 0.42416444590713714
Energy: 0.4363226610967132
Energy: 0.4241644459100626
Energy: 0.4363226610967132
Energy: 0.4241644459081123
Energy: 1.7984240055111191
Energy: 0.5805748060844118
Energy: 1.7984240055111191
Energy: 0.5805748060844118
Energy: 1.7984240055111191
Energy: 0.5805748060844118
Energy: 1.6941654132569668
Energy: 1.7675422419467093
Energy: 1.694165413265743
Energy: 1.7675422419467093
Energy: 1.6941654132598922
Energy: 1.7675422419457343
Energy: 1.643203963797837
Energy: 1.7669757234877468
Energy: 1.643203963797837
Energy: 1.7669757234867718
Energy: 1.643203963797837
Energy: 1.766975723488722
Energy: 1.7987039480006155
Energy: 0.5756629070053051
Energy: 1.7987039480006155
Energy: 0.5756629070053051
Energy: 1.7987039480006155
Energy: 0.5756629070053051
Energy: 0.695786412738521
Energy: 0.42406119627669103
Energy: 0.6957864127326703
Energy: 0.42406119627571587
Energy: 0.69578641273072
Energy: 0.42406119627669103
Energy: 2.070921850489535
Energy: 2.4687229498373657
Energy: 2.07092185048856
Energy: 2.4687229498393157
Energy: 2.07092185048856
Energy: 2.4687229498383405
Energy: 1.5002969625929299
Energy: 2.5493945065466708
Energy: 1.5002969625919547
Energy: 2.549394506533994
Energy: 1.5002969625919547
Energy: 2.5493945065515025
Energy: 0.4234451249388464
Energy: 0.4594182204569796
Energy: 0.4234451249388464
Energy: 0.4594182204569796
Energy: 0.4234451249388464
Energy: 0.4594182204569796
Energy: 1.5001031844694062
Energy: 2.58461812716429
Energy: 1.5001031844694062
Energy: 2.584618127175992
Energy: 1.5001031844694062
Energy: 2.5846181271662405
Energy: 2.071786562054184
Energy: 2.4593536789285286
Energy: 2.071786562054184
Energy: 2.4593536789275534
Energy: 2.071786562055159
Energy: 2.459353678929504
Energy: 0.4363226611035391
Energy: 0.4241644459081123
Energy: 0.43632266109768836
Energy: 0.42416444590713714
Energy: 0.43632266110158885
Energy: 0.4241644459081123
Energy: 1.7984240055120944
Energy: 0.5805748060824616
Energy: 1.7984240055111191
Energy: 0.5805748060824616
Energy: 1.7984240055111191
Energy: 0.5805748060834367
Energy: 1.694165413304748
Energy: 1.7675422419467093
Energy: 1.6941654132793946
Energy: 1.7675422419467093
Energy: 1.694165413281345
Energy: 1.7675422419467093
Energy: 1.643203963797837
Energy: 1.766975723488722
Energy: 1.6432039637988123
Energy: 1.766975723488722
Energy: 1.6432039637988123
Energy: 1.7669757234877468
Energy: 1.798703948002566
Energy: 0.5756629070023798
Energy: 1.798703948002566
Energy: 0.5756629070023798
Energy: 1.7987039480015907
Energy: 0.5756629070023798

minimum gb energy = 0.4234451249388464 eV
minimum distance =  2.39490823243256 Angstroms
sigma value = 11


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

Energy: 1.1624460800089698
Energy: 1.9997457219416994
Energy: 1.162446080009684
Energy: 1.999745721943128
Energy: 1.1624460800125413
Energy: 1.999745721943128
Energy: 2.363071822755742
Energy: 1.6540229403632944
Energy: 2.363071822755028
Energy: 1.6540229403640088
Energy: 2.363071822755742
Energy: 1.6540229403647229
Energy: 1.9398354570424883
Energy: 2.83719884875599
Energy: 1.9398354570424883
Energy: 2.8371988487552757
Energy: 1.9398354570432024
Energy: 2.8371988487552757
Energy: 2.2018737197960467
Energy: 2.0836482353357173
Energy: 2.2018737197960467
Energy: 2.0836482353350028
Energy: 2.2018737197967613
Energy: 2.0836482353357173
Energy: 1.3052917089218752
Energy: 1.7339560105893748
Energy: 1.305291708921161
Energy: 1.7339560105629457
Energy: 1.305291708921161
Energy: 1.7339560106535972
Energy: 2.6001715391116664
Energy: 1.8922415778758126
Energy: 2.6001715391116664
Energy: 1.8922415778758126
Energy: 2.6001715391116664
Energy: 1.8922415778758126
Energy: 2.214766102156115
Energy: 2.5881797742958366
Energy: 2.214766102165401
Energy: 2.5881797742958366
Energy: 2.2147661021661156
Energy: 2.5881797742951225
Energy: 1.660184566784629
Energy: 1.931513479975686
Energy: 1.6601845667996291
Energy: 1.9315134799792575
Energy: 1.660184566810344
Energy: 1.931513479978543
Energy: 1.6658052683777202
Energy: 1.5131610994804028
Energy: 1.6658052683641487
Energy: 1.5131610994804028
Energy: 1.6658052683712916
Energy: 1.5131610994804028
Energy: 2.415602731569979
Energy: 2.5309808429418936
Energy: 2.415602731570693
Energy: 2.530980842942608
Energy: 2.415602731569979
Energy: 2.530980842942608
Energy: 2.555268467780358
Energy: 2.1678529800790276
Energy: 2.5552684677817865
Energy: 2.1678529800775994
Energy: 2.555268467779644
Energy: 2.1678529800790276
Energy: 1.2628377720929294
Energy: 1.765972306776167
Energy: 1.2628377720936437
Energy: 1.765972306776167
Energy: 1.262837772092215
Energy: 1.765972306776167
Energy: 2.068977444294918
Energy: 1.7761786655624998
Energy: 2.068977444294918
Energy: 1.7761786655603566
Energy: 2.068977444294918
Energy: 1.7761786655617853
Energy: 1.9316598711595188
Energy: 2.9178384888819204
Energy: 1.9316598713173143
Energy: 2.917838488884063
Energy: 1.9316598711766617
Energy: 2.9178384888683486
Energy: 2.4243983238841715
Energy: 2.1344325163014854
Energy: 2.4243983238841715
Energy: 2.1344325163014854
Energy: 2.4243983238841715
Energy: 2.1344325163014854
Energy: 1.1438975433333123
Energy: 1.9889797772510491
Energy: 1.1438975433368836
Energy: 1.9889797772510491
Energy: 1.1438975433368836
Energy: 1.9889797772510491
Energy: 2.1038641773687
Energy: 1.4935737385091985
Energy: 2.103864177366557
Energy: 1.4935737385099126
Energy: 2.103864177366557
Energy: 1.4935737385091985
Energy: 2.0249082859879355
Energy: 2.9067329325758338
Energy: 2.0249082859872214
Energy: 2.9067329325751197
Energy: 2.0249082859857928
Energy: 2.9067329325751197
Energy: 2.2068574768595
Energy: 2.3302898242129406
Energy: 2.2068574768595
Energy: 2.3302898242357983
Energy: 2.2068574768595
Energy: 2.330289824182226
Energy: 1.274991860880766
Energy: 1.5451659749416242
Energy: 1.2749918608949873
Energy: 1.5451659751743567
Energy: 1.2749918608849868
Energy: 1.5451659751807856
Energy: 2.326214928058704
Energy: 1.7524846022235654
Energy: 2.3262149280729902
Energy: 1.7524846022249938
Energy: 2.326214928083705
Energy: 1.7524846022264224
Energy: 2.3759154188241736
Energy: 2.5833760138152835
Energy: 2.3759154187556653
Energy: 2.5833760138159985
Energy: 2.3759154188248877
Energy: 2.5833760138152835
Energy: 1.7755907804862767
Energy: 2.2029674119002345
Energy: 1.7755907804869908
Energy: 2.2029674118530904
Energy: 1.7755907804869908
Energy: 2.2029674118438045
Energy: 1.7119250746946837
Energy: 1.1616468471337908
Energy: 1.7119250746939694
Energy: 1.1616468471330765
Energy: 1.7119250746946837
Energy: 1.1616468471330765
Energy: 2.3353978680907126
Energy: 2.4323348139482586
Energy: 2.3353978680821412
Energy: 2.4323348139475445
Energy: 2.3353978680914276
Energy: 2.4323348139504013
Energy: 2.8983873086820333
Energy: 2.146131074447656
Energy: 2.8983873086820333
Energy: 2.146131074450513
Energy: 2.8983873086820333
Energy: 2.146131074450513

minimum gb energy = 1.1438975433333123 eV
minimum distance =  2.24666695348445 Angstroms
sigma value = 41


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

Energy: 1.375097521075874
Energy: 1.352684483161806
Energy: 1.3750975210769998
Energy: 1.352684483336794
Energy: 1.3750975210769998
Energy: 1.3526844831927707
Energy: 1.9326672552160116
Energy: 1.7068147162184142
Energy: 1.9326672552148856
Energy: 1.7068147162212293
Energy: 1.932667255213197
Energy: 1.706814716216162
Energy: 1.8386470398197305
Energy: 2.8860324300165536
Energy: 1.8386470398197305
Energy: 2.886032430015428
Energy: 1.8386470398191677
Energy: 2.886032430015428
Energy: 1.9162092272317153
Energy: 1.8779637102818438
Energy: 1.9162092272249596
Energy: 1.8779637102469386
Energy: 1.9162092272586877
Energy: 1.8779637103054385
Energy: 1.0188502308697205
Energy: 1.6731678005887654
Energy: 1.0188502308730985
Energy: 1.6731678005887654
Energy: 1.0188502308719725
Energy: 1.6731678005887654
Energy: 2.40748310533424
Energy: 1.9625020157218853
Energy: 2.40748310533424
Energy: 1.9625020157218853
Energy: 2.407483105334803
Energy: 1.9625020157218853
Energy: 2.0188421505126373
Energy: 2.493764656615165
Energy: 2.0188421505120746
Energy: 2.4937646566157285
Energy: 2.0188421505244607
Energy: 2.493764656615165
Energy: 1.5067992865013393
Energy: 1.7438000344679234
Energy: 1.5067992868395437
Energy: 1.7438000344679234
Energy: 1.5067992864771305
Energy: 1.7438000344679234
Energy: 1.4394076761098884
Energy: 1.6108061285961153
Energy: 1.4394076761098884
Energy: 1.6108061285949888
Energy: 1.4394076761093253
Energy: 1.6108061285961153
Energy: 2.3164785327842883
Energy: 2.1512917834160614
Energy: 2.316478532785414
Energy: 2.1512917834177503
Energy: 2.3164785327848514
Energy: 2.1512917834160614
Energy: 2.3244680302371146
Energy: 2.3320178758630825
Energy: 2.3244680302376777
Energy: 2.3320178755918746
Energy: 2.3244680302371146
Energy: 2.332017875719622
Energy: 1.6106786152543675
Energy: 1.8353169367983555
Energy: 1.6106786152543675
Energy: 1.8353169367752724
Energy: 1.6106786152628123
Energy: 1.8353169367989182
Energy: 1.5387243192149875
Energy: 1.580348781615409
Energy: 1.5387243192149875
Energy: 1.5803487816255428
Energy: 1.5387243192149875
Energy: 1.5803487816210386
Energy: 1.9569712032049227
Energy: 2.4762044895526816
Energy: 1.9569712032015447
Energy: 2.476204489553808
Energy: 1.9569712032054858
Energy: 2.4762044895504296
Energy: 2.4479470902572884
Energy: 2.1866603228933186
Energy: 2.4479470902578515
Energy: 2.1866603228916297
Energy: 2.4479470902578515
Energy: 2.1866603228916297
Energy: 1.1593967158570377
Energy: 2.028136121553981
Energy: 1.1593967158587266
Energy: 1.7053015209117086
Energy: 1.1593967158576006
Energy: 1.7053015209111453
Energy: 1.9902590597023797
Energy: 1.1899752566571893
Energy: 1.990259059729915
Energy: 1.189975256676331
Energy: 1.9902590593343368
Energy: 1.1899752566504334
Energy: 1.7776670010930267
Energy: 2.8760917049212633
Energy: 1.7776670011020348
Energy: 2.8760917049235153
Energy: 1.7776670010969677
Energy: 2.876091704922952
Energy: 1.9818782027548738
Energy: 2.2078848076504283
Energy: 1.981878202756
Energy: 2.2078848076509914
Energy: 1.981878202756
Energy: 2.2078848076447986
Energy: 1.8883321093956242
Energy: 1.8828648258647742
Energy: 1.8883321094412264
Energy: 1.8828648258647742
Energy: 1.888332109459242
Energy: 1.8828648258647742
Energy: 1.6804466388870942
Energy: 1.6897329437412523
Energy: 1.6804466388865316
Energy: 1.6897329444306097
Energy: 1.6804466388859685
Energy: 1.6897329441266966
Energy: 1.7946985250988967
Energy: 2.863912141888391
Energy: 1.79469852507694
Energy: 2.8639121418889535
Energy: 1.794698525083696
Energy: 2.8639121418889535
Energy: 2.1005749898514763
Energy: 2.4606300362651576
Energy: 2.1005749898514763
Energy: 2.4606300362657203
Energy: 2.1005749898514763
Energy: 2.4606300362657203
Energy: 1.5268422149340006
Energy: 1.8699549571393288
Energy: 1.5268422149311858
Energy: 1.869954957139892
Energy: 1.526842214966603
Energy: 1.8699549571393288
Energy: 1.948341922536264
Energy: 1.9352353007585792
Energy: 1.9483419225452723
Energy: 1.9352353007580159
Energy: 1.9483419225418939
Energy: 1.9352353007580159
Energy: 2.442091764754863
Energy: 2.630549277998637
Energy: 2.442091764748107
Energy: 2.630549277905743
Energy: 2.4420917647554257
Energy: 2.630549277817405
Energy: 1.86608215036885
Energy: 2.491370453727143
Energy: 1.86608215036885
Energy: 2.491370453726016
Energy: 1.866082150371665
Energy: 2.4913704537265797
Energy: 1.7889895544198753
Energy: 1.6171228422370767
Energy: 1.788989554424379
Energy: 1.6171228421965413
Energy: 1.7889895544266308
Energy: 1.6171228422078012
Energy: 2.105019835627798
Energy: 2.199704975211505
Energy: 2.105019835628361
Energy: 2.1997049752165716
Energy: 2.105019835627798
Energy: 2.1997049752120676
Energy: 2.5466669363807832
Energy: 2.2595788691204377
Energy: 2.546666942568675
Energy: 2.2595788691204377
Energy: 2.5466669326599214
Energy: 2.2595788691204377
Energy: 1.7679521367673343
Energy: 2.4422071037938013
Energy: 1.767952136774653
Energy: 2.4422071037932893
Energy: 1.767952136772964
Energy: 2.4422071037927267
Energy: 2.0939176513096016
Energy: 1.0304712078134022
Energy: 2.093917651309039
Energy: 1.0304712077993274
Energy: 2.0939176513096016
Energy: 1.0304712078156542
Energy: 1.8582949187087825
Energy: 2.094161560794389
Energy: 1.8582949186975224
Energy: 2.0941615607949524
Energy: 1.8582949187009004
Energy: 2.0941615607960777

minimum gb energy = 1.0188502308697205 eV
minimum distance =  2.25791182155508 Angstroms
sigma value = 33


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

Energy: 1.1797946393653054
Energy: 1.1503055471360464
Energy: 1.1797946396548153
Energy: 1.150305547134825
Energy: 1.179794639396483
Energy: 1.1503055471340347
Energy: 2.2456964766329723
Energy: 1.6351817801593092
Energy: 2.2456964766325407
Energy: 1.6351817801593092
Energy: 2.2456964766333316
Energy: 1.6351817801593092
Energy: 1.9200981376998567
Energy: 3.020330006692971
Energy: 1.920098137697486
Energy: 3.0203300066977126
Energy: 1.9200981376987072
Energy: 3.0203300066941927
Energy: 1.940826172160924
Energy: 2.1208842487142583
Energy: 1.940826172161714
Energy: 2.1208842487146176
Energy: 1.940826172160924
Energy: 2.1208842487146176
Energy: 1.1697030075822086
Energy: 2.442964015376485
Energy: 1.1697030075822086
Energy: 2.442964015376485
Energy: 1.1697030075822086
Energy: 2.442964015376126
Energy: 2.2614922812411793
Energy: 2.045972839834882
Energy: 2.2614922812403884
Energy: 2.045972839834882
Energy: 2.26149228124161
Energy: 2.0459728398352413
Energy: 1.6935442756369399
Energy: 2.5115870650167125
Energy: 1.6935442756097128
Energy: 2.5115870650170713
Energy: 1.6935442756385202
Energy: 2.5115870650162817
Energy: 1.9663624104206872
Energy: 1.955548947822931
Energy: 1.9663625858701623
Energy: 1.9555489478232901
Energy: 1.9663624622250448
Energy: 1.9555489478237216
Energy: 1.8890589858956894
Energy: 1.1761724342920639
Energy: 1.8890589858948992
Energy: 1.1761724342920639
Energy: 1.8890589858960487
Energy: 1.1761724342920639
Energy: 2.9991428865097287
Energy: 1.5130842426275655
Energy: 2.9991428865097287
Energy: 1.5130842425923645
Energy: 2.9991428865097287
Energy: 1.513084242619232
Energy: 2.278132668396808
Energy: 2.2813333973317897
Energy: 2.278132668399538
Energy: 2.2813333973317897
Energy: 2.2781326684197243
Energy: 2.2813333973314305
Energy: 2.153832318134826
Energy: 1.8539210243274715
Energy: 2.1538323181360473
Energy: 1.8539210242824284
Energy: 2.153832318131306
Energy: 1.8539210242820692
Energy: 1.526094107043635
Energy: 2.232569955673747
Energy: 1.5260941070546978
Energy: 2.2325699556741063
Energy: 1.5260941070227294
Energy: 2.232569955674538
Energy: 1.9257481620984844
Energy: 2.200364613597135
Energy: 1.9257481620984844
Energy: 2.2003646136232127
Energy: 1.9257481620981254
Energy: 2.2003646136283126
Energy: 2.279749670925408
Energy: 1.7748387532464567
Energy: 2.279749670925408
Energy: 1.7748387532535688
Energy: 2.279749670925049
Energy: 1.7748387532456662
Energy: 1.985067853706309
Energy: 2.129293963543391
Energy: 1.985067853705519
Energy: 2.1292939635449715
Energy: 1.9850678537110509
Energy: 2.1292939635441805
Energy: 2.2577523447004464
Energy: 1.1540242715661846
Energy: 2.2577523447004464
Energy: 1.1540242715665439
Energy: 2.2577523447004464
Energy: 1.154024271564173
Energy: 2.365831813079611
Energy: 1.8916765181790776
Energy: 2.365831813079611
Energy: 1.8916765181774973
Energy: 2.3658318130799705
Energy: 1.8916765181782877
Energy: 3.017752372722346
Energy: 1.8162750084197004
Energy: 3.0177523726808233
Energy: 1.8162750083403185
Energy: 3.0177523727010094
Energy: 1.8162750084090684
Energy: 2.1146521049399425
Energy: 1.6456764305937448
Energy: 2.114652104939511
Energy: 1.6456764305941758
Energy: 2.114652104946264
Energy: 1.6456764305929548
Energy: 1.6897001843207677
Energy: 1.6498006250005874
Energy: 1.6897001843180377
Energy: 1.6498006249673982
Energy: 1.689700184316817
Energy: 1.6498006250155302
Energy: 1.602927164499673
Energy: 2.2419454858568333
Energy: 1.6029271645001042
Energy: 2.241945485863155
Energy: 1.6029271645001042
Energy: 2.241945485862365
Energy: 2.3163184944671675
Energy: 1.862194200714945
Energy: 2.3163184944671675
Energy: 1.8621942016213346
Energy: 2.316318494470688
Energy: 1.8621942007611372
Energy: 1.6742127139845022
Energy: 1.954191765496257
Energy: 1.674212713984143
Energy: 1.9541917654958978
Energy: 1.674212713983712
Energy: 1.9541917654982683
Energy: 2.1944235553151055
Energy: 1.2737252841027742
Energy: 2.194423555313525
Energy: 1.2737252840455187
Energy: 2.194423555313525
Energy: 1.2737252840893403
Energy: 2.120176453952815
Energy: 2.324929776200295
Energy: 2.120176453954036
Energy: 2.324929776200295
Energy: 2.1201764539480736
Energy: 2.3249297762006544
Energy: 2.4021048546768973
Energy: 1.631865248973339
Energy: 2.4021048546773285
Energy: 1.6318652489721892
Energy: 2.4021048546768973
Energy: 1.631865248973339
Energy: 2.0872132620567605
Energy: 1.8646441092735984
Energy: 2.0872132621168173
Energy: 1.8646441092712276
Energy: 2.0872132620959123
Energy: 1.8646441092707966
Energy: 1.4616596187290962
Energy: 2.1362471758903476
Energy: 1.4616596187290962
Energy: 2.136247175889557
Energy: 1.4616596187294557
Energy: 2.136247175889917
Energy: 1.8451339471492385
Energy: 3.036777045291125
Energy: 1.8451339471492385
Energy: 3.036777045291125
Energy: 1.845133947148448
Energy: 3.0367770452903344
Energy: 1.8806376530738456
Energy: 2.3237313049356527
Energy: 1.8806376530734146
Energy: 2.3237313049352215
Energy: 1.8806376530738456
Energy: 2.3237313049546184
Energy: 1.6807278578097888
Energy: 2.1642664698802148
Energy: 1.6807278578093574
Energy: 2.164266469881005
Energy: 1.6807278578101479
Energy: 2.164266469881005
Energy: 2.226009003709026
Energy: 1.8241249586187522
Energy: 2.226009003710965
Energy: 1.8241249586163817
Energy: 2.226009003709026
Energy: 1.8241249586159503
Energy: 2.4056395837784
Energy: 2.146384331590057
Energy: 2.4056395837780404
Energy: 2.146384331590416
Energy: 2.4056395837791897
Energy: 2.1463843315908466
Energy: 2.3978018580937492
Energy: 2.1731147298734235
Energy: 2.3978018580937492
Energy: 2.1731147298726334
Energy: 2.397801858091738
Energy: 2.173114729873064
Energy: 2.2282122737438286
Energy: 1.8262046420858626
Energy: 2.228212273743038
Energy: 1.8262046420838514
Energy: 2.2282122737434698
Energy: 1.8262046420838514
Energy: 1.5772685067569743
Energy: 2.1380310068230095
Energy: 1.5772685067577645
Energy: 2.13803100682459
Energy: 1.5772685067573335
Energy: 2.1380310068238
Energy: 1.8880754477798636
Energy: 2.3297425748604845
Energy: 1.888075447781085
Energy: 2.3297425748561746
Energy: 1.8880754477802948
Energy: 2.329742574854594
Energy: 1.7302072905962982
Energy: 3.0217643344852427
Energy: 1.7302072904797758
Energy: 3.021764334483303
Energy: 1.7302072906121027
Energy: 3.021764334482872
Energy: 1.4712826914720067
Energy: 2.1274852117487644
Energy: 1.4712826914731563
Energy: 2.1274852117476146
Energy: 1.471282691472797
Energy: 2.1274852117499856
Energy: 1.8844682900369831
Energy: 1.8560071749889333
Energy: 1.8844682891298032
Energy: 1.8560071749905136
Energy: 1.8844682900401442
Energy: 1.8560071749892924
Energy: 2.4054734568939358
Energy: 1.63838305235442
Energy: 2.4054734568931457
Energy: 1.6383830523520497
Energy: 2.405473456894295
Energy: 1.6383830523493197
Energy: 2.061669940389262
Energy: 2.334414584495526
Energy: 2.061669940386461
Energy: 2.334414584481302
Energy: 2.0616699403876817
Energy: 2.334414584494305
Energy: 2.21803504285581
Energy: 1.6903995467208772
Energy: 2.2180350428545887
Energy: 1.6903995467224577
Energy: 2.2180350428561693
Energy: 1.6903995467208772
Energy: 1.671786336869387
Energy: 1.9465685952368843
Energy: 1.671786336869387
Energy: 1.9465685952416256
Energy: 1.671786336869387
Energy: 1.946568595234514
Energy: 2.3158789129221833
Energy: 1.8510524266987658
Energy: 2.3158789129170105
Energy: 1.8510524318456532
Energy: 2.3158789129178015
Energy: 1.851052418790541
Energy: 1.5755527055323135
Energy: 2.261462354249438
Energy: 1.5755527055334628
Energy: 2.2614623542486476
Energy: 1.5755527055326726
Energy: 2.2614623542482883

minimum gb energy = 1.1503055471340347 eV
minimum distance =  2.31105514616283 Angstroms
sigma value = 67


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

Energy: 2.775565118224671
Energy: 1.7605103855180964
Energy: 2.775565118224671
Energy: 1.7605103853570758
Energy: 2.775565118224671
Energy: 1.760510385301682
Energy: 1.3395539797769462
Energy: 1.7846728265989333
Energy: 1.3395539797769462
Energy: 1.7846728265962926
Energy: 1.3395539797769462
Energy: 1.7846728265989333
Energy: 2.389943954040483
Energy: 2.7939131833087263
Energy: 2.3899435332288803
Energy: 2.7939131833087263
Energy: 1.6247762090098532
Energy: 2.7939131833087263
Energy: 1.3395356414070767
Energy: 1.790328426673031
Energy: 1.3395356414070767
Energy: 1.7903284266756718
Energy: 1.3395356414070767
Energy: 1.7903284266756718
Energy: 2.775565118224671
Energy: 1.7605103874475818
Energy: 2.775565118224671
Energy: 1.760510387051662
Energy: 2.775565118224671
Energy: 1.7605103872601549
Energy: 1.3395539797769462
Energy: 1.784672826577808
Energy: 1.3395539797769462
Energy: 1.784672826577808
Energy: 1.3395539797769462
Energy: 1.7846728265804486
Energy: 1.6248311147124137
Energy: 2.7939131833060857
Energy: 1.6248714402410673
Energy: 2.7939131833060857
Energy: 1.6248249308497542
Energy: 2.7939131833060857

minimum gb energy = 1.3395356414070767 eV
minimum distance =  2.42223928006125 Angstroms
sigma value = 3


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

Energy: 2.448379961264352
Energy: 2.3322898578101174
Energy: 2.448379961264352
Energy: 2.332289857806524
Energy: 2.448379961264352
Energy: 2.3322898578101174
Energy: 2.3620399370514398
Energy: 2.0560940857855856
Energy: 2.3620399370514398
Energy: 2.0560940857855856
Energy: 2.3620399370514398
Energy: 2.056094085781992
Energy: 1.7514600020003046
Energy: 2.8014114094353193
Energy: 1.7514600020003046
Energy: 2.8014114094353193
Energy: 1.7514600020003046
Energy: 2.8014114094353193
Energy: 2.474989777990486
Energy: 1.739662756022676
Energy: 2.474989777990486
Energy: 1.739662756022676
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Energy: 1.882292141742791
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Energy: 2.114310262020555
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Energy: 2.2093107252203454
Energy: 2.0629704074092303
Energy: 2.2093107252203454
Energy: 2.0629704074092303
Energy: 2.2093107252203454
Energy: 2.0629704074092303
Energy: 2.7368198271464874
Energy: 1.7885939783053777
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Energy: 1.7885939783017841
Energy: 2.7368198271464874
Energy: 1.7885939783053777
Energy: 1.8078287608367258
Energy: 2.7893193324773033
Energy: 1.8078287608367258
Energy: 2.7893193324773033
Energy: 1.8078287608367258
Energy: 2.7893193324773033
Energy: 2.265991055717062
Energy: 2.030009525265364
Energy: 2.2659910557134686
Energy: 2.030009525265364
Energy: 2.2659910557134686
Energy: 2.030009525265364
Energy: 2.4270683847396315
Energy: 1.974939135500989
Energy: 2.4270683847396315
Energy: 1.974939135500989
Energy: 2.4270683847396315
Energy: 1.974939135500989
Energy: 2.4617634947851443
Energy: 2.020812921484146
Energy: 2.4617634944834217
Energy: 2.0208129215307964
Energy: 2.461763494131456
Energy: 2.0208129215307964
Energy: 1.6744295214228155
Energy: 2.77520738996054
Energy: 1.6744295214228155
Energy: 2.7752073899569463
Energy: 1.674429521419222
Energy: 2.77520738996054
Energy: 2.4928710751731855
Energy: 2.021571032459279
Energy: 2.4928710751695924
Energy: 2.021571032459279
Energy: 2.4928710751731855
Energy: 2.021571032459279
Energy: 2.1936544429926554
Energy: 1.7830013719619793
Energy: 2.1936544429926554
Energy: 1.7830013719619793
Energy: 2.1936544429926554
Energy: 1.7830013719619793
Energy: 2.3527228310148276
Energy: 2.359029293592626
Energy: 2.352722830993332
Energy: 2.3590292935962194
Energy: 2.3527228309969255
Energy: 2.359029293592626
Energy: 2.166328218315022
Energy: 2.5488399540320863
Energy: 2.166328218318616
Energy: 2.5488399540320863
Energy: 2.166328218315022
Energy: 2.5488399540320863

minimum gb energy = 1.674429521419222 eV
minimum distance =  2.26718312515628 Angstroms
sigma value = 81


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

Energy: 2.4204112784973946
Energy: 2.4010209889965677
Energy: 2.2779934431298887
Energy: 2.4010209889965677
Energy: 2.4204112784964082
Energy: 2.4010209889960747
Energy: 2.171572914611
Energy: 2.047433870537882
Energy: 2.17157291461248
Energy: 2.043642835883998
Energy: 2.1715729146095204
Energy: 2.047433870536402
Energy: 2.2185231964022822
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Energy: 2.230118565994958
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Energy: 2.3758240632024843
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Energy: 2.375824063201991
Energy: 2.0521514493267565
Energy: 2.0715310693362015
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Energy: 2.0715310693366944
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Energy: 2.0715310693357085
Energy: 2.234764343254233
Energy: 2.22469044586507
Energy: 2.2347643432552187
Energy: 2.14343663063096
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Energy: 2.2246904458645766
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Energy: 1.8148648871672988
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Energy: 1.8148648871717374
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Energy: 2.088886567568343
Energy: 2.2645321976089305
Energy: 2.088886567567357
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Energy: 2.2430252313563086
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Energy: 2.450002868327685
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Energy: 2.2565637400343386
Energy: 2.4500028683266986
Energy: 1.9181609253703045
Energy: 2.5673428502398394
Energy: 1.9181609253707976
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Energy: 1.9181609253703045
Energy: 2.567342850239346
Energy: 2.5859203113787297
Energy: 2.1843715933154133
Energy: 2.585920313034632
Energy: 2.184371593316399
Energy: 2.585920311183511
Energy: 2.1843715933159067
Energy: 1.9304755726140925
Energy: 2.0992641372214265
Energy: 1.930475572615079
Energy: 2.0992641372199463
Energy: 1.9304755726165588
Energy: 2.099264137222413
Energy: 2.1743785941675315
Energy: 2.3611777617917116
Energy: 2.1743785941670386
Energy: 2.2798797509269506
Energy: 2.174378594166545
Energy: 2.3611777617917116
Energy: 2.2720200029037247
Energy: 2.12298732865311
Energy: 2.2370131948996033
Energy: 2.122987328652616
Energy: 2.2720200029037247
Energy: 2.1229873286516296
Energy: 2.5592073978033576
Energy: 2.012152268558848
Energy: 2.5592073979374637
Energy: 1.9718113946498683
Energy: 2.5592073979009666
Energy: 2.012152268558355
Energy: 2.385986498191964
Energy: 2.5737557114271215
Energy: 2.3859864981909777
Energy: 2.573755711448777
Energy: 2.3859864981904844
Energy: 2.573755711416764
Energy: 1.896749216964618
Energy: 2.0278990472464997
Energy: 1.8967492169631384
Energy: 2.0278990472045777
Energy: 1.8967492169631384
Energy: 2.0278990472312106
Energy: 2.0294729637624522
Energy: 2.256493915371098
Energy: 2.029472963761466
Energy: 2.256493915370605
Energy: 2.0294729637609725
Energy: 2.256493915370605
Energy: 2.2399485151755845
Energy: 1.887280201844353
Energy: 2.239948515172625
Energy: 1.887280201817227
Energy: 2.2399485151731184
Energy: 1.8872802018601353
Energy: 2.0051196082656046
Energy: 2.698954608896398
Energy: 1.9834612871038535
Energy: 2.698954608935854
Energy: 2.0051196082656046
Energy: 2.698954608878149
Energy: 2.3642863399023506
Energy: 2.164971169511186
Energy: 2.3642863399023506
Energy: 2.164971169510692
Energy: 2.3642863399028435
Energy: 2.164971169510199
Energy: 2.975710266985608
Energy: 2.2753488457771875
Energy: 2.9757102669851148
Energy: 2.2753488457742286
Energy: 2.975710266985608
Energy: 2.275348845784585
Energy: 2.1037297411818723
Energy: 2.2764071897724465
Energy: 2.103729741180886
Energy: 2.312456960023908
Energy: 2.1037297411813793
Energy: 2.276407189771953

minimum gb energy = 1.7115927627478715 eV
minimum distance =  2.25071769452509 Angstroms
sigma value = 43


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

Energy: 2.2532719130229024
Energy: 2.004322857493022
Energy: 2.253271913027143
Energy: 2.004322857493628
Energy: 2.253271913027143
Energy: 2.004322857493628
Energy: 2.350032852614134
Energy: 2.034550106472257
Energy: 2.3500328526201923
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Energy: 1.8054493347174416
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Energy: 2.3939017627218986
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Energy: 2.1804088133445916
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Energy: 2.3769476796604994
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Energy: 2.356371881340525
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Energy: 1.9803144404457633
Energy: 2.4677580802021413
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Energy: 2.4677580801185948
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Energy: 2.4677580803505097
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Energy: 1.7832289883119414
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Energy: 2.5908028923308053
Energy: 1.7832289883119414
Energy: 2.147792529926867
Energy: 2.216895148232938
Energy: 2.1477925299262615
Energy: 2.2168951482353614
Energy: 2.147792529926867
Energy: 2.216895148232938
Energy: 1.8666269328714054
Energy: 2.1468775346872015
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Energy: 2.1468775346872015
Energy: 1.8666269328580776
Energy: 2.1468775346872015
Energy: 2.3089866112564685
Energy: 2.33500983349564
Energy: 2.3089866112564685
Energy: 2.3350098334962457
Energy: 2.3089866112564685
Energy: 2.3350098334962457
Energy: 2.3222964997940108
Energy: 2.273702876434773
Energy: 2.3222964997940108
Energy: 2.273702876434773
Energy: 2.3222964997940108
Energy: 2.273702876434773
Energy: 2.0003185918082957
Energy: 2.228893846490736
Energy: 2.0003185918082957
Energy: 2.228893846490736
Energy: 2.0003185918082957
Energy: 2.228893846490736
Energy: 1.890385014021783
Energy: 2.2463836438787923
Energy: 1.8903850140236005
Energy: 2.246383643879398
Energy: 1.8903850140223888
Energy: 2.2463836438787923
Energy: 2.6430216889952747
Energy: 1.6896321442965498
Energy: 2.6430216889952747
Energy: 1.6896321442917035
Energy: 2.643021688994063
Energy: 1.6896321442947326
Energy: 1.883577608516578
Energy: 2.32096662189721
Energy: 1.883577608516578
Energy: 2.3209666218959986
Energy: 1.8835776085171836
Energy: 2.320966621895393
Energy: 2.1583813122785074
Energy: 2.2465509049868313
Energy: 2.158381312277901
Energy: 2.2465509049862256
Energy: 2.1583813122785074
Energy: 2.2465509049850136
Energy: 2.2976421341855997
Energy: 2.061809623338302
Energy: 2.2976421341849944
Energy: 2.061809623338302
Energy: 2.2976421341855997
Energy: 2.061809623338302
Energy: 2.5409641042978732
Energy: 1.9940983690103193
Energy: 2.540964104298479
Energy: 1.9940983690103193
Energy: 2.5409641042978732
Energy: 1.9940983690103193
Energy: 1.7108709487063265
Energy: 2.1938146153257847
Energy: 1.7108709487063265
Energy: 2.1938146153239675
Energy: 1.7108709487063265
Energy: 2.1938146153239675
Energy: 2.2028369219496966
Energy: 2.2358477046232155
Energy: 2.2028369219496966
Energy: 2.235847704625639
Energy: 2.2028369219490904
Energy: 2.235847704620792
Energy: 2.205768431587912
Energy: 1.7004137670768
Energy: 2.205768431587306
Energy: 1.7004137670774062
Energy: 2.2057684315885178
Energy: 1.700413767078012
Energy: 2.1899531250943722
Energy: 2.2303072068523146
Energy: 2.1899531250943722
Energy: 2.2303072068359575
Energy: 2.1899531250949784
Energy: 2.2303072068468626
Energy: 1.9041434160417297
Energy: 2.2051236563868515
Energy: 1.9041434160423354
Energy: 2.2051236563868515
Energy: 1.9041434160411237
Energy: 2.2051236563868515

minimum gb energy = 1.6896321442917035 eV
minimum distance =  2.25389563578845 Angstroms
sigma value = 57


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

Energy: 2.080067022332312
Energy: 2.060726601039147
Energy: 2.0800670223330964
Energy: 2.060726601047776
Energy: 2.0800670223330964
Energy: 2.0607266010383625
Energy: 2.144295526189399
Energy: 1.9879615184929336
Energy: 2.1442955261886145
Energy: 1.9879615193742002
Energy: 2.144295526189399
Energy: 1.9879615184929336
Energy: 1.5240387350806337
Energy: 2.4128214254961096
Energy: 1.5240387350806337
Energy: 2.4128214254961096
Energy: 1.524038735081418
Energy: 2.4128214254961096
Energy: 2.5518277979150112
Energy: 1.8608346992586735
Energy: 2.5518277979157955
Energy: 1.860834699253967
Energy: 2.5518277979157955
Energy: 1.8608346992586735
Energy: 2.015105227621901
Energy: 2.223679471921277
Energy: 2.0151052276109196
Energy: 2.2236794719189237
Energy: 2.0151052276164103
Energy: 2.2236794719189237
Energy: 1.5890638201385408
Energy: 2.4611253152827475
Energy: 1.5890638201416785
Energy: 2.4611253152827475
Energy: 1.5890638201385408
Energy: 2.4611253152835317
Energy: 1.8301302627898215
Energy: 1.8724153505550765
Energy: 1.830130262783546
Energy: 1.8724153505558607
Energy: 1.8301302627913902
Energy: 1.8724153505550765
Energy: 2.383777041419089
Energy: 1.937333277849931
Energy: 2.3837770414120287
Energy: 1.9373332778491466
Energy: 2.383777041414382
Energy: 1.9373332778491466
Energy: 1.77785885445066
Energy: 2.045057195106618
Energy: 1.77785885445066
Energy: 2.045057195106618
Energy: 1.77785885445066
Energy: 2.045057195095672
Energy: 1.7313152571399915
Energy: 2.2317984184860515
Energy: 1.731315257140776
Energy: 2.231798418486836
Energy: 1.7313152571399915
Energy: 2.2317984184860515
Energy: 2.445913868343551
Energy: 1.839091338594883
Energy: 2.4459138683521795
Energy: 1.8390913385972363
Energy: 2.4459138683490416
Energy: 1.8390913385901766
Energy: 2.0979032361150183
Energy: 2.1519421378491814
Energy: 2.0979032360758345
Energy: 2.1519421378499652
Energy: 2.0979032361127006
Energy: 2.1519421378499652
Energy: 1.4393403158147726
Energy: 2.036130547794192
Energy: 1.4393403158147726
Energy: 2.036130547794192
Energy: 1.4393403158147726
Energy: 2.036130547794192
Energy: 2.104168225990938
Energy: 2.362101587247128
Energy: 2.1041682259932912
Energy: 2.3621015872479125
Energy: 2.1041682259917227
Energy: 2.362101587246344
Energy: 1.9837047995787616
Energy: 1.743939553293997
Energy: 1.983704799579546
Energy: 1.743939553293997
Energy: 1.9837047995787616
Energy: 1.7439395532932125
Energy: 1.9003722403461674
Energy: 2.053374598877848
Energy: 1.900372240345383
Energy: 2.0533745988786327
Energy: 1.9003722403461674
Energy: 2.053374598877848
Energy: 1.5859332764643854
Energy: 2.015950495805947
Energy: 1.585933276463601
Energy: 2.0159504958067314
Energy: 1.5859332764643854
Energy: 2.015950495805947
Energy: 2.7540226581889997
Energy: 1.89379023573189
Energy: 2.754022658164719
Energy: 1.8937902357342433
Energy: 2.7540226579992835
Energy: 1.8937902357365968
Energy: 1.5846238864054791
Energy: 1.998645589676435
Energy: 1.5846238864078321
Energy: 1.9986455896780035
Energy: 1.5846238864070479
Energy: 1.998645589685848
Energy: 1.8977624235234296
Energy: 2.0670834991670777
Energy: 1.8977624235202917
Energy: 2.0670834991670777
Energy: 1.8977624235242139
Energy: 2.0670834991670777
Energy: 1.9838302058882114
Energy: 1.7455480966490806
Energy: 1.9838302058882114
Energy: 1.7455480966490806
Energy: 1.9838302058866422
Energy: 1.745548096649865
Energy: 2.1021115527761105
Energy: 2.3112996025324923
Energy: 2.1021115527808165
Energy: 2.3112996025419053
Energy: 2.1021115527808165
Energy: 2.3112996025364145
Energy: 1.4174575891672747
Energy: 2.0428159807309796
Energy: 1.4174575891680592
Energy: 2.0428159807317647
Energy: 1.4174575891672747
Energy: 2.0428159807317647
Energy: 2.112975275689434
Energy: 2.165165068263213
Energy: 2.112975275689434
Energy: 2.165165068263213
Energy: 2.112975275689434
Energy: 2.165165068263213

minimum gb energy = 1.4174575891672747 eV
minimum distance =  2.30805581540662 Angstroms
sigma value = 17


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

Energy: 1.8253884466995356
Energy: 1.7745135450298524
Energy: 1.8253884466995356
Energy: 1.7745135450298524
Energy: 1.825388446700645
Energy: 1.774513545030962
Energy: 1.7144504218513736
Energy: 1.8393531572061104
Energy: 1.7144504218513736
Energy: 1.8393531572061104
Energy: 1.7144504218513736
Energy: 1.839353157208329
Energy: 1.779962475880036
Energy: 1.858130801713144
Energy: 1.779962475880036
Energy: 1.8581308018616896
Energy: 1.7799624758789265
Energy: 1.8581308017120346
Energy: 1.8047410594135287
Energy: 1.7987788111999163
Energy: 1.8047410594135287
Energy: 1.7987788111999163
Energy: 1.8047410594135287
Energy: 1.7987788111999163
Energy: 1.9760475342623813
Energy: 2.0134052660361954
Energy: 1.9760475342612722
Energy: 2.0134052660361954
Energy: 1.9760475342623813
Energy: 2.0134052660373043
Energy: 1.6087758994697077
Energy: 1.738002744468077
Energy: 1.6087758994697077
Energy: 1.7380027444647492
Energy: 1.6087758994697077
Energy: 1.7380027444658581
Energy: 1.8859161622972744
Energy: 1.7058928492785177
Energy: 1.885916162298384
Energy: 1.7058928492774081
Energy: 1.8859161622972744
Energy: 1.705892849295157
Energy: 1.726400751532063
Energy: 1.9946588701988368
Energy: 1.726400751528735
Energy: 1.9946588701988368
Energy: 1.726400751528735
Energy: 1.9946588701988368
Energy: 1.4533067306842469
Energy: 1.9124712543592601
Energy: 1.4533067306831375
Energy: 1.9124712543592601
Energy: 1.4533067306842469
Energy: 1.9124712543592601
Energy: 1.8006040063777449
Energy: 1.9122974552689465
Energy: 1.8006040063777449
Energy: 1.9122974552611816
Energy: 1.8006040063788542
Energy: 1.912297455321033
Energy: 1.8644082966833544
Energy: 1.616703732481738
Energy: 1.8644082966833544
Energy: 1.6167037324828473
Energy: 1.8644082966833544
Energy: 1.616703732481738
Energy: 1.9144910496394405
Energy: 1.9528570798547482
Energy: 1.9144910496394405
Energy: 1.9528570798547482
Energy: 1.91449104964055
Energy: 1.9528570798536387
Energy: 1.6325311144379067
Energy: 1.8748283144802638
Energy: 1.632531115206299
Energy: 1.8748283144126465
Energy: 1.6325311143902572
Energy: 1.874828314383805
Energy: 1.951755563400721
Energy: 1.5084133794090402
Energy: 1.9517555634140327
Energy: 1.5084133794090402
Energy: 1.9517555633985024
Energy: 1.5084133794090402
Energy: 1.7329052569114072
Energy: 1.923921267900359
Energy: 1.7329052569114072
Energy: 1.9239212679014681
Energy: 1.7329052569114072
Energy: 1.923921267900359
Energy: 1.8076282798924277
Energy: 2.2186796970913827
Energy: 1.807628279669559
Energy: 2.2186796970913827
Energy: 1.8076282801274988
Energy: 2.2186796970913827
Energy: 1.7045471168541109
Energy: 1.3016617085974411
Energy: 1.7045471168541109
Energy: 1.3016617085974411
Energy: 1.70454711685522
Energy: 1.3016617085974411

minimum gb energy = 1.3016617085974411 eV
minimum distance =  2.31768646512102 Angstroms
sigma value = 17


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

Energy: 1.7438910123635925
Energy: 1.6617186418476224
Energy: 1.689119072094942
Energy: 1.6617186418493355
Energy: 1.7438910123627356
Energy: 1.661718641848479
Energy: 1.599872281489091
Energy: 1.7769884619637601
Energy: 1.5490010042104159
Energy: 1.8556221401221227
Energy: 1.5998722814908046
Energy: 1.7769884619264917
Energy: 1.6460692184802805
Energy: 1.9484597212619525
Energy: 1.6421453257453864
Energy: 1.9484597212615242
Energy: 1.646069218478567
Energy: 1.9484597212610957
Energy: 1.5643404654999211
Energy: 1.5607313635095892
Energy: 1.5714482040729583
Energy: 1.5607313635061622
Energy: 1.5643404655024913
Energy: 1.5607313635100175
Energy: 1.8213502232603784
Energy: 1.8434948736112617
Energy: 1.8213502232595216
Energy: 1.8434948736121182
Energy: 1.8213502232599499
Energy: 1.8434948736121182
Energy: 1.655946230201778
Energy: 1.7463682780544267
Energy: 1.6536863075208312
Energy: 1.7463682780544267
Energy: 1.6559462302013495
Energy: 1.7463682780535696
Energy: 1.7995423724460666
Energy: 1.6805018360297879
Energy: 1.799542372445638
Energy: 1.6805018360315016
Energy: 1.7995423724447812
Energy: 1.6805018360319297
Energy: 1.8056547713356434
Energy: 1.7725699518940492
Energy: 1.8056547713356434
Energy: 1.7725699518979043
Energy: 1.8056547713356434
Energy: 1.7725699518957627
Energy: 1.4665036124019049
Energy: 1.8590168832436116
Energy: 1.4665036124023332
Energy: 1.8590168832701706
Energy: 1.4665036124019049
Energy: 1.859016883255606
Energy: 1.6323922261608372
Energy: 1.6136117844610187
Energy: 1.632392226160409
Energy: 1.6136117844618751
Energy: 1.6323922261616943
Energy: 1.6136117844614468
Energy: 1.7195139445436438
Energy: 1.7388768481161476
Energy: 1.719513944544929
Energy: 1.7388768481140058
Energy: 1.7195139445436438
Energy: 1.7388768481135772
Energy: 1.4845349397589214
Energy: 1.8365567869790407
Energy: 1.4845349397567797
Energy: 1.836556786979469
Energy: 1.4845349397576364
Energy: 1.836556786979469
Energy: 1.773918645995551
Energy: 1.7038290196608286
Energy: 1.77391864527277
Energy: 1.7038290196878159
Energy: 1.7739186451794238
Energy: 1.7038290196595434
Energy: 1.7338127246150328
Energy: 1.5214497450317648
Energy: 1.7338127245687684
Energy: 1.5214497450339066
Energy: 1.73381272462103
Energy: 1.5214497450334783
Energy: 1.8877824100287288
Energy: 1.7753517216370414
Energy: 1.8877751604296418
Energy: 1.7753517214323575
Energy: 1.887782410027872
Energy: 1.7753517217303876
Energy: 1.8434310605784385
Energy: 1.8458340345842486
Energy: 1.8456055170333234
Energy: 1.8458340346360425
Energy: 1.8434310605775817
Energy: 1.845834034568827
Energy: 1.8474264898157848
Energy: 1.3625729302334317
Energy: 1.8474264898157848
Energy: 1.3625729302334317
Energy: 1.8474264898140713
Energy: 1.3625729302330032
Energy: 1.6362084740455143
Energy: 1.7442852638568311
Energy: 1.6362084740467993
Energy: 1.7442852639621327
Energy: 1.6362084740450857
Energy: 1.7442852637026558
Energy: 1.8874707482527187
Energy: 2.002973032666118
Energy: 1.8874707482527187
Energy: 2.0029730326823962
Energy: 1.8874707482518618
Energy: 2.002973032679826
Energy: 1.6949896359255143
Energy: 1.3489704297670082
Energy: 1.6949896288926138
Energy: 1.3489704297678646
Energy: 1.694989628499991
Energy: 1.3489704297730054
Energy: 1.9099604946329236
Energy: 1.9997720096287475
Energy: 1.9099604946320672
Energy: 1.9997720096300329
Energy: 1.9099604946320672
Energy: 1.9997720096287475
Energy: 1.5214992089673802
Energy: 1.6955525210571107
Energy: 1.521499208966095
Energy: 1.695552521059681
Energy: 1.5214992089678085
Energy: 1.6955525210579672
Energy: 1.8633400544659446
Energy: 1.2726618006426056
Energy: 1.8633400544830403
Energy: 1.2726618006408918
Energy: 1.8633400544714747
Energy: 1.2726618006426056
Energy: 1.664923109067902
Energy: 1.8139094229287078
Energy: 1.664923108937716
Energy: 1.813909422890154
Energy: 1.6649231091051313
Energy: 1.813909423038332
Energy: 1.7771512312644995
Energy: 1.7738835927965346
Energy: 1.7771512312580737
Energy: 1.773883592798248
Energy: 1.7771512312623579
Energy: 1.7738835927965346
Energy: 1.7937658241622696
Energy: 1.5626345797600854
Energy: 1.7490238176391115
Energy: 1.562634579747234
Energy: 1.793765824166125
Energy: 1.5626345797613705
Energy: 1.8411799589427227
Energy: 1.7169348561985371
Energy: 1.8310993451708089
Energy: 1.7169348562541866
Energy: 1.8411799589427227
Energy: 1.7169348562066764
Energy: 1.591335366259215
Energy: 1.820362040053934
Energy: 1.6113742002646443
Energy: 1.8203620400530771
Energy: 1.5913353662570728
Energy: 1.820362040054752
Energy: 1.7847447758244595
Energy: 1.8291443371818066
Energy: 1.788633093438803
Energy: 1.8291443371818066
Energy: 1.7847447758244595
Energy: 1.8291443371818066
Energy: 1.687166625166603
Energy: 1.588504684746825
Energy: 1.687166625167888
Energy: 1.5885046847463968
Energy: 1.687166625166603
Energy: 1.5885046847463968
Energy: 1.5487404002885778
Energy: 1.9921290931005462
Energy: 1.5487404002984306
Energy: 1.9921290930996893
Energy: 1.5487404002941465
Energy: 1.9921290930996893
Energy: 1.8461560524262774
Energy: 1.9154032184247847
Energy: 1.8461560524267058
Energy: 1.9154032184260694
Energy: 1.8461560524258493
Energy: 1.9154032184256413
Energy: 1.7930300399482146
Energy: 1.586577308346398
Energy: 1.7930300399494994
Energy: 1.586577308346398
Energy: 1.793030039946501
Energy: 1.5865773083468264
Energy: 1.5734806379166002
Energy: 1.7310616139411408
Energy: 1.5734806379161717
Energy: 1.731061613918437
Energy: 1.5734806379161717
Energy: 1.731061613938142
Energy: 1.788736835503071
Energy: 1.8730382614120265
Energy: 1.7887368354927902
Energy: 1.8730382614128833
Energy: 1.7887368355013573
Energy: 1.8730382614128833
Energy: 1.5779170945341954
Energy: 1.58570142485113
Energy: 1.5779170945333383
Energy: 1.5857014248524153
Energy: 1.5779170945329102
Energy: 1.58570142485113
Energy: 1.615404319440836
Energy: 1.7489692744222076
Energy: 1.6154043194399796
Energy: 1.7489692743365721
Energy: 1.6154043194386944
Energy: 1.7489692743417127
Energy: 1.6509622414527505
Energy: 1.6962327872411755
Energy: 1.6509622414544636
Energy: 1.6962327872416039
Energy: 1.6509622414548921
Energy: 1.6962327872390337
Energy: 1.6891190720928004
Energy: 1.6617186418467655
Energy: 1.6891190720928004
Energy: 1.6617186418493355
Energy: 1.6891190720932288
Energy: 1.6617186418480507
Energy: 1.5490010042095588
Energy: 1.8963417637265274
Energy: 1.549001004212129
Energy: 1.8963417637269557
Energy: 1.549001004210844
Energy: 1.8963417637256705
Energy: 1.6484645246713354
Energy: 1.7813664538517766
Energy: 1.6484764646299739
Energy: 1.7813664539215623
Energy: 1.6484645246696221
Energy: 1.781366453854347
Energy: 1.5749120426849355
Energy: 1.5690681044719959
Energy: 1.57494029213935
Energy: 1.5690681044797066
Energy: 1.5749120426840788
Energy: 1.5690681044711392
Energy: 1.821350223253096
Energy: 1.8586654509479799
Energy: 1.8213502232518106
Energy: 1.8586654509458378
Energy: 1.821350223253096
Energy: 1.8586654509458378

minimum gb energy = 1.2726618006408918 eV
minimum distance =  2.28972704148001 Angstroms
sigma value = 57


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

Energy: 1.5687578745602748
Energy: 1.5064502117572183
Energy: 1.5687578745553925
Energy: 1.5064502117586134
Energy: 1.5687578745616697
Energy: 1.506450211757916
Energy: 1.681445459199844
Energy: 1.6006380421842177
Energy: 1.681445459197054
Energy: 1.6006380421870074
Energy: 1.6814454592012391
Energy: 1.6006380421849151
Energy: 1.5735403451296366
Energy: 1.7320490420154855
Energy: 1.5569207030819836
Energy: 1.732049042016183
Energy: 1.5735403451477714
Energy: 1.732049042016183
Energy: 1.5777794317249332
Energy: 1.3938633932540379
Energy: 1.5777794317242357
Energy: 1.3938633932540379
Energy: 1.5777794317249332
Energy: 1.3938633932540379
Energy: 1.6824938298275525
Energy: 1.4929091245609973
Energy: 1.682493829826855
Energy: 1.4929091245582073
Energy: 1.682493829826855
Energy: 1.4929091245589048
Energy: 1.2275032383924502
Energy: 1.8678510485789461
Energy: 1.2275032383910551
Energy: 1.8678510485789461
Energy: 1.2275032383924502
Energy: 1.867851048583131
Energy: 1.6670378895713438
Energy: 1.5234689081611938
Energy: 1.6670378895706464
Energy: 1.5234689081632864
Energy: 1.6670378895706464
Energy: 1.5234689081660762
Energy: 1.815451552050645
Energy: 1.897732290265947
Energy: 1.815451552050645
Energy: 1.897732290265947
Energy: 1.815451552050645
Energy: 1.8977322902666445
Energy: 1.3520755089810208
Energy: 1.7008948899483523
Energy: 1.3520755089838108
Energy: 1.7008948899490497
Energy: 1.3520755089831133
Energy: 1.7008948899483523
Energy: 1.565325424266315
Energy: 1.6529640165720427
Energy: 1.5653254661028735
Energy: 1.6529640165727404
Energy: 1.5653254212042593
Energy: 1.6529640165727404
Energy: 1.6797992693900141
Energy: 1.7738134344094896
Energy: 1.6797992693753665
Energy: 1.7738134344220446
Energy: 1.6797992693795516
Energy: 1.7738134344269267
Energy: 1.301494672280466
Energy: 1.5756621666161952
Energy: 1.3014946722762808
Energy: 1.575662166588993
Energy: 1.3014946722741885
Energy: 1.5756621665813206
Energy: 1.5941873520639365
Energy: 1.6214240344530875
Energy: 1.5941873522842807
Energy: 1.6214240344523898
Energy: 1.5941873520820713
Energy: 1.6214240344530875
Energy: 1.5914971591177007
Energy: 1.6089755181109346
Energy: 1.5914971591163058
Energy: 1.6089755181081447
Energy: 1.5914971591170033
Energy: 1.6089755181095398
Energy: 1.3457161624458298
Energy: 1.7108720520841545
Energy: 1.3457161624430398
Energy: 1.7108720520827596
Energy: 1.3457161624444347
Energy: 1.7108720520848522
Energy: 1.6446120701414804
Energy: 1.5967383420570176
Energy: 1.6446120689513677
Energy: 1.5967383420702699
Energy: 1.644612070652489
Energy: 1.5967383420542276
Energy: 1.6943214473243622
Energy: 1.3845403205014788
Energy: 1.694321447320177
Energy: 1.384540325644599
Energy: 1.694321447320177
Energy: 1.3845403210975813
Energy: 1.5038076142739651
Energy: 1.6299892914499843
Energy: 1.50380761427257
Energy: 1.6299892914513794
Energy: 1.5038076142739651
Energy: 1.6299892914471945
Energy: 1.6857904576424851
Energy: 1.8019179688625535
Energy: 1.6857904576320226
Energy: 1.801917968860461
Energy: 1.6857904576438802
Energy: 1.8019179688611584
Energy: 1.6404437771038438
Energy: 1.0847491253857324
Energy: 1.6404437771017513
Energy: 1.0847491254282795
Energy: 1.640443777108663
Energy: 1.0847491251724266
Energy: 1.5481099127762716
Energy: 1.4475533171310129
Energy: 1.5481099127762716
Energy: 1.447553317124038
Energy: 1.5481099127748765
Energy: 1.4475533171449628
Energy: 1.6005924356112908
Energy: 1.791598655678751
Energy: 1.6005924356126857
Energy: 1.791598655701769
Energy: 1.6005924356119883
Energy: 1.7915986556989787
Energy: 1.6527584487249793
Energy: 1.1706398609840611
Energy: 1.6527584487180047
Energy: 1.1706398609833637
Energy: 1.6527584487333493
Energy: 1.1706398609840611
Energy: 1.5564688859377585
Energy: 1.608526285341278
Energy: 1.5564688859377585
Energy: 1.608526285342673
Energy: 1.556468885938456
Energy: 1.6085262853447655
Energy: 1.6484944283975442
Energy: 1.5231441154944245
Energy: 1.6484944283975442
Energy: 1.52314411515557
Energy: 1.6484944283975442
Energy: 1.523144115529299
Energy: 1.533336245229014
Energy: 1.2144716022528919
Energy: 1.533336245222039
Energy: 1.2144716022528919
Energy: 1.5333362452311063
Energy: 1.2144716022528919
Energy: 1.599498299336177
Energy: 1.9095116900242528
Energy: 1.5994982993340845
Energy: 1.9095116900026303
Energy: 1.5994982993347822
Energy: 1.9095116900486016

minimum gb energy = 1.0847491251724266 eV
minimum distance =  2.30506381739703 Angstroms
sigma value = 43


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

Energy: 1.4461512957349323
Energy: 1.3151593187085118
Energy: 1.4461512957461127
Energy: 1.3151593187090198
Energy: 1.4461512957237521
Energy: 1.3151593186963149
Energy: 1.4297058584968123
Energy: 1.5069598428435915
Energy: 1.429705858498337
Energy: 1.5069598428435915
Energy: 1.4297058584973206
Energy: 1.5069598428466409
Energy: 1.33118124475995
Energy: 1.571467522214905
Energy: 1.331181244758934
Energy: 1.57146752281684
Energy: 1.331181244758934
Energy: 1.5714675243057161
Energy: 1.3989680873515673
Energy: 1.1970735530413525
Energy: 1.3989680873642723
Energy: 1.1970735530433856
Energy: 1.3989680873637642
Energy: 1.1970735530418608
Energy: 1.4671438729288797
Energy: 1.3775382041708821
Energy: 1.4671438729288797
Energy: 1.3775382041729147
Energy: 1.4671438729136337
Energy: 1.3775382041546198
Energy: 1.215063951095919
Energy: 1.6597482079971644
Energy: 1.2150639510928698
Energy: 1.6597482079890336
Energy: 1.215063951091345
Energy: 1.6597482079941155
Energy: 1.4387191257898235
Energy: 1.3313482320797918
Energy: 1.438719123999726
Energy: 1.3313482320792835
Energy: 1.4387191260676684
Energy: 1.3313482320787753
Energy: 1.5480005068864877
Energy: 1.4980736674845228
Energy: 1.5480005069159632
Energy: 1.4980736674840147
Energy: 1.548000506884455
Energy: 1.4980736674845228
Energy: 1.111888990365285
Energy: 1.607895243530638
Energy: 1.1118889903668099
Energy: 1.607895243530638
Energy: 1.1118889903637608
Energy: 1.607895243531146
Energy: 1.3705374705723283
Energy: 1.2901181545287745
Energy: 1.3705374705413285
Energy: 1.2901181545206435
Energy: 1.3705374705753774
Energy: 1.2901181545449907
Energy: 1.5976467816223678
Energy: 1.6070834288034512
Energy: 1.5976467816223678
Energy: 1.6070834288034512
Energy: 1.5976467816223678
Energy: 1.6070834288029432
Energy: 1.2794687069046804
Energy: 1.4616584313563026
Energy: 1.2794687069046804
Energy: 1.46165843138624
Energy: 1.2794687069041721
Energy: 1.4616584313903054
Energy: 1.449155921973334
Energy: 1.4141345159987635
Energy: 1.449155921978416
Energy: 1.4141345159992718
Energy: 1.4491559219789243
Energy: 1.4141345159987635
Energy: 1.4831228967319392
Energy: 1.5160058703894204
Energy: 1.4831228967431194
Energy: 1.516005870393486
Energy: 1.4831228967248242
Energy: 1.516005870388912
Energy: 1.2685342960017272
Energy: 1.4412133181093787
Energy: 1.2685342960022354
Energy: 1.4412133181119198
Energy: 1.2685342960022354
Energy: 1.4412133181058213
Energy: 1.7110177831309463
Energy: 1.3601453674470525
Energy: 1.7110175977750555
Energy: 1.3601453674470525
Energy: 1.7110177729105682
Energy: 1.3601453674470525
Energy: 1.4432554371634736
Energy: 1.3976264435876564
Energy: 1.4432554371634736
Energy: 1.3976264435891808
Energy: 1.443255437163982
Energy: 1.3976264435886727
Energy: 1.1619879021394746
Energy: 1.4581554733670608
Energy: 1.1619879021399828
Energy: 1.458155473368077
Energy: 1.1619879021394746
Energy: 1.4581554733665523
Energy: 1.6066137080763117
Energy: 1.3610037769801528
Energy: 1.6066137083110057
Energy: 1.361003776978628
Energy: 1.6066137081317047
Energy: 1.3610037769811694
Energy: 1.510007959363395
Energy: 1.5017424265758355
Energy: 1.5100079593649198
Energy: 1.5017424273022324
Energy: 1.5100079593801194
Energy: 1.5017424267653001
Energy: 1.234300517214627
Energy: 1.4724854865320371
Energy: 1.2343005172141188
Energy: 1.472485486553335
Energy: 1.2343005172125943
Energy: 1.4724854865350865
Energy: 1.5949737059913265
Energy: 1.4827981847867695
Energy: 1.5949737059913265
Energy: 1.4827981847857532
Energy: 1.5949737059908182
Energy: 1.4827981847862615
Energy: 1.5515780667856027
Energy: 1.209417672547374
Energy: 1.5515780660160554
Energy: 1.2094176708126696
Energy: 1.5515780629118547
Energy: 1.2094176797626035
Energy: 1.334937829497993
Energy: 1.4081944923370382
Energy: 1.3349378294944356
Energy: 1.4081944923344973
Energy: 1.3349378294949439
Energy: 1.4081944923350056
Energy: 1.5519000157956324
Energy: 1.542172167539813
Energy: 1.5519000158012224
Energy: 1.5421721733352352
Energy: 1.55190001579919
Energy: 1.5421721675489144
Energy: 1.4668855157646339
Energy: 1.1188952248566957
Energy: 1.4668855157483716
Energy: 1.1188952248531383
Energy: 1.4668855157493879
Energy: 1.1188952248546626
Energy: 1.197694225161786
Energy: 1.3090634352633823
Energy: 1.1976942251622942
Energy: 1.309063435262366
Energy: 1.1976942251622942
Energy: 1.309063435262874
Energy: 1.5022375910012287
Energy: 1.3792672423006815
Energy: 1.5022375910007206
Energy: 1.3792672423164356
Energy: 1.5022375910002124
Energy: 1.379267242314403
Energy: 1.5817007697580499
Energy: 1.0529094968666999
Energy: 1.5817007697555088
Energy: 1.0529094968524704
Energy: 1.5817007697570333
Energy: 1.0529094968666999
Energy: 1.2834631882543353
Energy: 1.3197958743374474
Energy: 1.2834631882533187
Energy: 1.3197958743379559
Energy: 1.283463188253827
Energy: 1.3197958743308411
Energy: 1.4632633972505182
Energy: 1.4628485169894165
Energy: 1.4632633972505182
Energy: 1.4628485173871493
Energy: 1.4632633972495017
Energy: 1.4628485166795555
Energy: 1.648720852946
Energy: 1.07139258444386
Energy: 1.648720852946
Energy: 1.07139258443827
Energy: 1.6487208529439674
Energy: 1.0713925844428438
Energy: 1.441841887061079
Energy: 1.4166619485409229
Energy: 1.441841887055489
Energy: 1.416661948543464
Energy: 1.4418418870788197
Energy: 1.4166619485404148
Energy: 1.518493529707755
Energy: 1.3521009410585498
Energy: 1.5184935297001318
Energy: 1.3521009410168778
Energy: 1.5184935297041975
Energy: 1.3521009410321236
Energy: 1.4489720984206846
Energy: 1.064710688919745
Energy: 1.4489723965917687
Energy: 1.0647106885067663
Energy: 1.4489724386516953
Energy: 1.0647106890142695
Energy: 1.4596132812667328
Energy: 1.4542634849519014
Energy: 1.4596132812662248
Energy: 1.4542634848807539
Energy: 1.4596132812667328
Energy: 1.45426348561579

minimum gb energy = 1.0529094968524704 eV
minimum distance =  2.26313193222328 Angstroms
sigma value = 81


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

Energy: 0.3682628769677183
Energy: 1.3379837333980495
Energy: 0.08101871349686551
Energy: 1.337983733399917
Energy: 0.3682628769677183
Energy: 1.337983733399917
Energy: 0.7815614902520359
Energy: 0.6383222758745771
Energy: 0.7815614902520359
Energy: 0.6383222758745771
Energy: 0.7815614902539032
Energy: 0.6383222758745771
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.08101871349686551
Energy: 1.337983733399917
Energy: 0.08101871349686551
Energy: 1.337983733399917
Energy: 0.08101871349686551
Energy: 1.3379837333980495
Energy: 0.7815614902539032
Energy: 0.6383222758745771
Energy: 0.7815614902520359
Energy: 0.6383222758745771
Energy: 0.7815614902539032
Energy: 0.6383222758745771
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.3682628769677183
Energy: 1.3379837333980495
Energy: 0.08101871349686551
Energy: 1.3379837333980495
Energy: 0.3682628769677183
Energy: 1.337983733399917
Energy: 0.7815614902539032
Energy: 0.6383222758727098
Energy: 0.7815614902539032
Energy: 0.6383222758745771
Energy: 0.7815614902539032
Energy: 0.6383222758745771
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.8593215380301644
Energy: 0.6382301362978138
Energy: 0.08101871349686551
Energy: 1.3379837333980495
Energy: 0.08101871349499828
Energy: 1.337983733399917
Energy: 0.08101871349499828
Energy: 1.3379837333961826

minimum gb energy = 0.08101871349499828 eV
minimum distance =  2.31225621133888 Angstroms
sigma value = 3


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

Energy: 1.5865332292379482
Energy: 1.3235205749605405
Energy: 1.586533241043478
Energy: 1.323520574959423
Energy: 1.5865332342585354
Energy: 1.323520574958864
Energy: 1.4922291667856096
Energy: 1.5614923500438842
Energy: 1.492229166785051
Energy: 1.5614923500807125
Energy: 1.4922291667861685
Energy: 1.561492350057244
Energy: 1.347681886541878
Energy: 1.4569786626229417
Energy: 1.2989745406265936
Energy: 1.4569786626458514
Energy: 1.2989745406260347
Energy: 1.4569786626246182
Energy: 1.55967730148083
Energy: 1.3102086324151052
Energy: 1.5596773014819474
Energy: 1.3102086482135855
Energy: 1.55967730148083
Energy: 1.310208639074984
Energy: 1.3519472151145302
Energy: 1.5733095840676488
Energy: 1.3519472151145302
Energy: 1.5733095840777067
Energy: 1.3519472151145302
Energy: 1.5733095840732363
Energy: 1.2960692164526533
Energy: 1.3387241590753416
Energy: 1.296069216449859
Energy: 1.3387241590697538
Energy: 1.2960692164526533
Energy: 1.3387241590731065
Energy: 1.475713871353804
Energy: 1.3267747505648024
Energy: 1.4757138714453921
Energy: 1.3267747491472426
Energy: 1.4757138714588025
Energy: 1.3267747502860756
Energy: 1.1919466620285877
Energy: 1.8928176391803224
Energy: 1.1919466620285877
Energy: 1.8928176391797642
Energy: 1.1919466620291461
Energy: 1.8928176391803224
Energy: 1.4566855762996356
Energy: 1.3394488259490809
Energy: 1.456685576299077
Energy: 1.3394488259518746
Energy: 1.4566855762996356
Energy: 1.3394488259440518
Energy: 1.7519903490932518
Energy: 1.1493260547336133
Energy: 1.7519903490932518
Energy: 1.1493260547403186
Energy: 1.7519903490932518
Energy: 1.14932605473529
Energy: 1.3204008773983842
Energy: 1.8926239811829553
Energy: 1.3204008773983842
Energy: 1.8926239811812786
Energy: 1.3204008773983842
Energy: 1.8926239811779262
Energy: 1.3108537835278349
Energy: 1.4447115418653618
Energy: 1.3108537835306286
Energy: 1.4447115418664285
Energy: 1.3108537835272762
Energy: 1.4447115418659207
Energy: 1.8970629472205531
Energy: 1.1737661390592637
Energy: 1.8970629472384337
Energy: 1.1737661390603813
Energy: 1.8970629472300524
Energy: 1.1737661390614988
Energy: 1.28690862109493
Energy: 1.5278951165656998
Energy: 1.2869086210999083
Energy: 1.5278951165612293
Energy: 1.2869086210966065
Energy: 1.5278951165668173
Energy: 1.3238785430628872
Energy: 1.3834215514189805
Energy: 1.323878543065681
Energy: 1.3834215514061285
Energy: 1.3238785430634459
Energy: 1.38342155139221
Energy: 1.6743324131898214
Energy: 1.144733415255964
Energy: 1.6743323995522736
Energy: 1.1447334152554054
Energy: 1.6743324230254686
Energy: 1.144733415255964
Energy: 1.288032747422122
Energy: 1.5385164765061308
Energy: 1.2880327474288273
Energy: 1.5385164765173058
Energy: 1.2880327474288273
Energy: 1.5385164765106008
Energy: 1.4528016085974624
Energy: 1.511609273071789
Energy: 1.4528016085980213
Energy: 1.5116092730723476
Energy: 1.4528016086019329
Energy: 1.51160927307123
Energy: 1.5467016827433517
Energy: 1.171844748080008
Energy: 1.5467016827433517
Energy: 1.171844748080008
Energy: 1.5467016827433517
Energy: 1.171844748080008
Energy: 1.3206436050961001
Energy: 1.705249571323974
Energy: 1.3206436050972177
Energy: 1.7052495713222977
Energy: 1.3206436050961001
Energy: 1.7052495713217388
Energy: 1.6330172629211428
Energy: 1.4569514157693053
Energy: 1.6330172629284068
Energy: 1.4569514157693053
Energy: 1.6330172629272892
Energy: 1.4569514157681878
Energy: 1.6580253614166311
Energy: 1.239791503295603
Energy: 1.6580253614160725
Energy: 1.2397914997768997
Energy: 1.6580253614166311
Energy: 1.2397914990535917
Energy: 1.2723089124878213
Energy: 1.5359326431695488
Energy: 1.2723089124867037
Energy: 1.535932643168431
Energy: 1.2723089124855864
Energy: 1.5359326431678726
Energy: 1.677362913371686
Energy: 1.4641071449716387
Energy: 1.677362913372245
Energy: 1.4641071449682863
Energy: 1.677362913372245
Energy: 1.4641071449727563
Energy: 1.4565298220766554
Energy: 1.3031604704600064
Energy: 1.4565298220760965
Energy: 1.303160470457771
Energy: 1.4565298220760965
Energy: 1.30316047045386
Energy: 1.16485648945529
Energy: 1.4237437182268067
Energy: 1.1648564894558486
Energy: 1.4237437189930897
Energy: 1.1648564894536138
Energy: 1.423743711480369
Energy: 1.6297858420006488
Energy: 1.361330812512359
Energy: 1.6297858420090305
Energy: 1.361330812512359
Energy: 1.6297858420073539
Energy: 1.3613308125129178
Energy: 1.385337429896901
Energy: 1.4364402712800943
Energy: 1.3853374298963423
Energy: 1.436440271282888
Energy: 1.3853374298963423
Energy: 1.436440271280653
Energy: 1.0592737711055165
Energy: 1.7816440570027845
Energy: 1.059273771104399
Energy: 1.7816440570050196
Energy: 1.0592737711055165
Energy: 1.7816440570022258
Energy: 1.621811090985138
Energy: 1.4169893237138405
Energy: 1.6218110909862553
Energy: 1.4169893236903721
Energy: 1.621811090985138
Energy: 1.4169893237160756
Energy: 1.434022414194254
Energy: 1.4590061256633156
Energy: 1.4340224141953717
Energy: 1.4590061256633156
Energy: 1.4340224141920188
Energy: 1.459006125662757
Energy: 1.2018927672904571
Energy: 1.891400284916701
Energy: 1.2018927672898982
Energy: 1.89140028491726
Energy: 1.2018927672898982
Energy: 1.8914002849178189
Energy: 1.4376977498941261
Energy: 1.4039662655116874
Energy: 1.4376977498952437
Energy: 1.4039662655060998
Energy: 1.4376977498946848
Energy: 1.4039662655122465

minimum gb energy = 1.059273771104399 eV
minimum distance =  2.25138519591421 Angstroms
sigma value = 67


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

Energy: 1.939088696251044
Energy: 1.3866334166821428
Energy: 1.9390886963624385
Energy: 1.3866334166829388
Energy: 1.9390886961659244
Energy: 1.3866334166821428
Energy: 1.8454009263754192
Energy: 1.7793828868687493
Energy: 1.8454009263762154
Energy: 1.7793828868703414
Energy: 1.8454009263754192
Energy: 1.7793828868695454
Energy: 1.5592121212214858
Energy: 1.528289400034358
Energy: 1.5592121212206898
Energy: 1.5282894000383391
Energy: 1.5592121212230783
Energy: 1.5282894000359506
Energy: 1.9016064369589516
Energy: 1.3483131584702317
Energy: 1.901606436947805
Energy: 1.3483131584702317
Energy: 1.901606436952582
Energy: 1.348313158471028
Energy: 1.3827874526316317
Energy: 2.0279099210031513
Energy: 1.3827874526316317
Energy: 2.0279099210039475
Energy: 1.3827874526316317
Energy: 2.0279099210031513
Energy: 1.4165820629281156
Energy: 1.5210701062564251
Energy: 1.4165820629344852
Energy: 1.5210701063542837
Energy: 1.416582062947224
Energy: 1.5210701062651106
Energy: 1.9952457369692362
Energy: 1.4646936044645893
Energy: 1.9952457369716252
Energy: 1.4646936044653855
Energy: 1.995245736970829
Energy: 1.4646936044645893
Energy: 1.5630940041691515
Energy: 1.9925686172910153
Energy: 1.5630940041691515
Energy: 1.9925686172981811
Energy: 1.5630940041699477
Energy: 1.9925686172918116
Energy: 1.4801540481966908
Energy: 1.7079929090938637
Energy: 1.4801540481950983
Energy: 1.7079929090938637
Energy: 1.4801540481966908
Energy: 1.7079929090938637
Energy: 1.8899510347002906
Energy: 1.3632134893857737
Energy: 1.8899510347010866
Energy: 1.3632134893857737
Energy: 1.8899510347002906
Energy: 1.3632134893849777
Energy: 1.498383546057363
Energy: 1.7874423313310366
Energy: 1.4983835460589552
Energy: 1.7874423313310366
Energy: 1.4983835460589552
Energy: 1.7874423313310366
Energy: 1.597128083526213
Energy: 1.6380757459448896
Energy: 1.597128083527805
Energy: 1.6380757459448896
Energy: 1.597128083527009
Energy: 1.6380757459448896
Energy: 1.5378286644351975
Energy: 1.3095753940299106
Energy: 1.5378286644344015
Energy: 1.3095753940299106
Energy: 1.537828664432013
Energy: 1.3095753940307067
Energy: 1.4956189369760544
Energy: 1.7798481218540352
Energy: 1.495618936826443
Energy: 1.7798481218540352
Energy: 1.4956189370015325
Energy: 1.7798481218548312
Energy: 1.674996223075325
Energy: 1.6470256153883902
Energy: 1.674996223063382
Energy: 1.6470256153063827
Energy: 1.6749962230697513
Energy: 1.6470256153923712
Energy: 1.551978063614084
Energy: 1.3897579502115016
Energy: 1.5519780638218172
Energy: 1.3897579502115016
Energy: 1.5519780636913143
Energy: 1.3897579502115016
Energy: 1.4141151447782643
Energy: 1.7019515514273438
Energy: 1.4141151447782643
Energy: 1.7019515514297325
Energy: 1.4141151447774685
Energy: 1.7019515514257515
Energy: 1.7351948462072626
Energy: 1.5795801229289086
Energy: 1.7351948461937274
Energy: 1.5795801229273163
Energy: 1.735194846204874
Energy: 1.5795801229289086
Energy: 1.5714769839876026
Energy: 1.423309709292243
Energy: 1.5714769839883986
Energy: 1.4233097093185172
Energy: 1.5714769839876026
Energy: 1.4233097092962241
Energy: 1.4017457742260941
Energy: 1.9560558888899553
Energy: 1.4017457742268902
Energy: 1.9560558888366109
Energy: 1.4017457742260941
Energy: 1.956055888886771
Energy: 1.969097636271073
Energy: 1.431177104463493
Energy: 1.9690976362702768
Energy: 1.4311771044642896
Energy: 1.9690976362702768
Energy: 1.4311771044642896
Energy: 1.946068164720006
Energy: 1.52420006760039
Energy: 1.946068164716821
Energy: 1.524200067604371
Energy: 1.946068164724783
Energy: 1.5242000676011862
Energy: 1.390616207363104
Energy: 1.9998980581890662
Energy: 1.3906162074148567
Energy: 1.999898058196232
Energy: 1.3906162073726585
Energy: 1.9998980581779193

minimum gb energy = 1.3095753940299106 eV
minimum distance =  2.27549724800312 Angstroms
sigma value = 33


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

Energy: 1.919725978424375
Energy: 1.485233708814531
Energy: 1.9197259771894815
Energy: 1.4852337088085161
Energy: 1.919725982953498
Energy: 1.485233708813521
Energy: 1.7056855033845324
Energy: 1.8128028837297023
Energy: 1.7056855033845324
Energy: 1.8128028837297023
Energy: 1.7056855033845324
Energy: 1.8128028837302075
Energy: 1.6576069879869924
Energy: 1.698264503353239
Energy: 1.6576069879869924
Energy: 1.698264503384555
Energy: 1.6576069879874975
Energy: 1.6982645033764734
Energy: 1.9519855827483041
Energy: 1.4703782694536807
Energy: 1.951985582748809
Energy: 1.4703782694541856
Energy: 1.9519855827483041
Energy: 1.4703782694536807
Energy: 1.6554994049071647
Energy: 1.9521848963252786
Energy: 1.6554994049172203
Energy: 1.9521848953498622
Energy: 1.6554994049107
Energy: 1.9521848939564623
Energy: 1.6731825091738866
Energy: 1.9167536283622184
Energy: 1.6731824860092266
Energy: 1.8423953100283355
Energy: 1.6731824742307615
Energy: 1.842395310029851
Energy: 2.304385490836752
Energy: 1.7766194880040258
Energy: 2.3043854908372574
Energy: 1.7766194880040258
Energy: 2.3043854908372574
Energy: 1.7766194880045307
Energy: 1.500027519336572
Energy: 1.8614583721907665
Energy: 1.500027519336572
Energy: 1.8614583721902613
Energy: 1.5000275193360668
Energy: 1.8614583721907665
Energy: 1.5665600754059033
Energy: 1.962374466792627
Energy: 1.5665600754064084
Energy: 1.9623744667901017
Energy: 1.5665600754059033
Energy: 1.9623744667885863
Energy: 1.8522487099216283
Energy: 1.536267018697093
Energy: 1.8522463170852732
Energy: 1.5362670186975982
Energy: 1.8523197052802478
Energy: 1.536267018697093
Energy: 1.6362958471913807
Energy: 1.8742744266286229
Energy: 1.6362958471913807
Energy: 1.8742744266291278
Energy: 1.6362958471923907
Energy: 1.8742744266286229
Energy: 1.7383018825126721
Energy: 1.7710268339720814
Energy: 1.7383018825091365
Energy: 1.7710268339725868
Energy: 1.7383018825081262
Energy: 1.7710268339720814
Energy: 1.8875549920950612
Energy: 1.5695827151586765
Energy: 1.8875549920955663
Energy: 1.5695827146709913
Energy: 1.8875549920955663
Energy: 1.5695827146219976
Energy: 1.474838854305823
Energy: 1.8040617548187385
Energy: 1.4748388543068334
Energy: 1.8040617548202542
Energy: 1.4748388543194144
Energy: 1.8040617548187385
Energy: 1.8473339289474457
Energy: 1.7140960048985434
Energy: 1.8473339289636086
Energy: 1.7140960048985434
Energy: 1.8473339289428998
Energy: 1.7140960048985434
Energy: 1.8820572048638142
Energy: 1.5377697398501702
Energy: 1.882057204863309
Energy: 1.5377697398511805
Energy: 1.8820572048643192
Energy: 1.5377697398506753
Energy: 1.6463625198194645
Energy: 1.976001103419594
Energy: 1.6463625198189593
Energy: 1.9760011034200988
Energy: 1.6463625198194645
Energy: 1.9760011034200988
Energy: 1.9397726002899958
Energy: 1.5959534175828172
Energy: 1.9397726002894908
Energy: 1.5959534167487792
Energy: 1.9397726002894908
Energy: 1.595953416184367
Energy: 2.1704070364389385
Energy: 1.6669918592382533
Energy: 2.170407036029496
Energy: 1.6669918592756299
Energy: 2.1704070354584712
Energy: 1.6669918592660333
Energy: 1.69796904206113
Energy: 2.182242666789482
Energy: 1.6979690420601197
Energy: 2.1822426667889765
Energy: 1.69796904206113
Energy: 2.182242666789987
Energy: 1.7493466462476086
Energy: 1.506765847653238
Energy: 1.7493466462471035
Energy: 1.5067658476678858
Energy: 1.7493466462476086
Energy: 1.5067658476598043
Energy: 1.9188572218720379
Energy: 1.5765433211391162
Energy: 1.9188572218770887
Energy: 1.576543321138106
Energy: 1.9188572218735536
Energy: 1.576543321138611
Energy: 1.519629503990493
Energy: 1.959781428142311
Energy: 1.519629503990493
Energy: 1.9597814281418058
Energy: 1.519629503990493
Energy: 1.9597814281418058
Energy: 1.9687904665045013
Energy: 1.6730229393633573
Energy: 1.9687904665216283
Energy: 1.6730229393633573
Energy: 1.9687904665039961
Energy: 1.6730229393633573
Energy: 1.8051628006529459
Energy: 1.9963535225381768
Energy: 1.8051628007125462
Energy: 1.9963535225376716
Energy: 1.805162800653956
Energy: 1.9963535225376716
Energy: 1.356397983059886
Energy: 1.7724009534852998
Energy: 1.3563979830603912
Energy: 1.772400953485805
Energy: 1.356397983059886
Energy: 1.7724009534852998
Energy: 1.7731667435068332
Energy: 1.720370995142717
Energy: 1.7731667434426865
Energy: 1.7203709951422124
Energy: 1.7731667435038025
Energy: 1.7203709951396868
Energy: 1.7029318743767525
Energy: 1.7379302807085715
Energy: 1.7029318904233475
Energy: 1.7195292797402948
Energy: 1.702931876409869
Energy: 1.8130423493871917
Energy: 1.6916570078320554
Energy: 2.0485220678634484
Energy: 1.69165700783155
Energy: 2.048522067867948
Energy: 1.69165700783155
Energy: 2.0485220678982534
Energy: 2.2805253008864814
Energy: 1.526788491160842
Energy: 2.280525300885976
Energy: 1.5267884911603369
Energy: 2.2805253008879967
Energy: 1.526788491160842
Energy: 1.8397926276790872
Energy: 1.6031542727945145
Energy: 1.8397926276785823
Energy: 1.6031542727945145
Energy: 1.8397926276790872
Energy: 1.6031542727945145
Energy: 1.4399898662168809
Energy: 1.9386039382645683
Energy: 1.4399898662168809
Energy: 1.9386039382100184
Energy: 1.4399898662173858
Energy: 1.9386039382337579
Energy: 1.9337943244504516
Energy: 1.5575359188634355
Energy: 1.9337943244489364
Energy: 1.557535918865456
Energy: 1.9337943244494415
Energy: 1.5575359188644458
Energy: 1.8160680233811757
Energy: 1.5914055465478327
Energy: 1.8160680233796604
Energy: 1.5914055465478327
Energy: 1.8160680233811757
Energy: 1.5914055465468224
Energy: 1.5032434698706647
Energy: 1.5776097096847002
Energy: 1.5032434698701596
Energy: 1.5776097096862154
Energy: 1.5032434698661188
Energy: 1.5776097096867203
Energy: 1.9679472703527572
Energy: 1.4866746605207908
Energy: 1.9679472708914563
Energy: 1.486674660521296
Energy: 1.9679472720707905
Energy: 1.4866746605207908
Energy: 1.710281339907595
Energy: 1.8207476081138638
Energy: 1.7102813399070895
Energy: 1.8207475994402658
Energy: 1.7102813399080996
Energy: 1.820747608578315

minimum gb energy = 1.356397983059886 eV
minimum distance =  2.25604163511241 Angstroms
sigma value = 41


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

Energy: 2.0182868603275397
Energy: 1.507520905582286
Energy: 2.0182868603206443
Energy: 1.5075209055809071
Energy: 2.0182868603054747
Energy: 1.507520905582286
Energy: 2.1045205612946862
Energy: 1.894178380780776
Energy: 2.1045205612946862
Energy: 1.894178380787671
Energy: 2.1045205612933073
Energy: 1.89417838077526
Energy: 1.9119921358840506
Energy: 1.813970569418477
Energy: 1.8032853173255659
Energy: 1.813970569418477
Energy: 1.8032853173545258
Energy: 1.813970569418477
Energy: 2.452320887731609
Energy: 2.0532373983697294
Energy: 2.452320887732988
Energy: 2.0532373983697294
Energy: 2.452320887732988
Energy: 2.0532373983697294
Energy: 1.7184931893159041
Energy: 2.2981052413615886
Energy: 1.7184931893172832
Energy: 2.298105241362968
Energy: 1.7184931893159041
Energy: 2.298105241368484
Energy: 1.6998177015057494
Energy: 1.98237503034283
Energy: 1.6998176988977929
Energy: 1.982375030346967
Energy: 1.6998177015167815
Energy: 1.982375030346967
Energy: 2.2645782871762106
Energy: 1.949662658953784
Energy: 2.2645782871762106
Energy: 1.949662658953784
Energy: 2.26457828717759
Energy: 1.949662658953784
Energy: 1.7633174850827227
Energy: 1.7919807279926288
Energy: 1.7633174850662368
Energy: 1.7919807279940079
Energy: 1.7633174850496884
Energy: 1.7919807279940079
Energy: 1.8179660409957676
Energy: 1.849999079766437
Energy: 1.817966040994389
Energy: 1.8499990797705739
Energy: 1.8179660409957676
Energy: 1.849999079766437
Energy: 2.218715663910929
Energy: 1.6235944091623153
Energy: 2.218715663910929
Energy: 1.6235944091623153
Energy: 2.218715663910929
Energy: 1.6235944091636945
Energy: 1.689990249463893
Energy: 1.8903922234240784
Energy: 1.689990249463893
Energy: 1.8903922234254573
Energy: 1.689990249463893
Energy: 1.8903922234254573
Energy: 2.2503275911567737
Energy: 1.7635655165551727
Energy: 2.2503275911567737
Energy: 1.7635655165524144
Energy: 2.2503275911553944
Energy: 1.7635655165537931
Energy: 2.1687356301959664
Energy: 1.7391953416701385
Energy: 2.1687356301959664
Energy: 1.7391953416701385
Energy: 2.1687356301959664
Energy: 1.7391953416701385
Energy: 2.1800121201144558
Energy: 2.2446419526900825
Energy: 2.1800121201281835
Energy: 2.2446419526900825
Energy: 2.1800121201172136
Energy: 2.2446419526900825

minimum gb energy = 1.5075209055809071 eV
minimum distance =  2.26334401261089 Angstroms
sigma value = 11


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

Energy: 2.1054092062187744
Energy: 1.5898852216604664
Energy: 2.1054092062060796
Energy: 1.5898852216538024
Energy: 2.1054092062187744
Energy: 1.589885221652591
Energy: 2.2407608395123044
Energy: 2.262504187191593
Energy: 2.2407608395110934
Energy: 2.2625041867907125
Energy: 2.2407608395110934
Energy: 2.262504183775128
Energy: 1.9986253610725992
Energy: 1.9196143392404537
Energy: 2.0418133811417256
Energy: 1.9196143392265201
Energy: 1.9605375850899687
Energy: 1.9196143392386362
Energy: 2.253848858587999
Energy: 1.8494662862191116
Energy: 2.253848858587999
Energy: 1.8494662862112639
Energy: 2.253848858587999
Energy: 1.849466286213081
Energy: 1.8097699045724822
Energy: 2.142955776626572
Energy: 1.809769904603957
Energy: 2.142955776626572
Energy: 1.8097699045615778
Energy: 2.142955776626572
Energy: 1.9486485601829036
Energy: 2.2795412960488806
Energy: 1.9486485601762393
Energy: 2.2795412960494867
Energy: 1.9486485601822974
Energy: 2.279541296048275
Energy: 2.1928133885452517
Energy: 1.6451720087611725
Energy: 2.1928133885452517
Energy: 1.6451720087532973
Energy: 2.192813388544646
Energy: 1.6451720087563264
Energy: 2.1402565811956196
Energy: 2.158829842770734
Energy: 2.140256581195014
Energy: 2.1588298427773975
Energy: 2.140256581195014
Energy: 2.1588298427646757
Energy: 2.2692020032379143
Energy: 2.107908245418846
Energy: 2.269202003286957
Energy: 2.107908245418846
Energy: 2.269202003265754
Energy: 2.107908245418846
Energy: 2.1388396410977024
Energy: 1.8505597136643135
Energy: 2.1388396410983086
Energy: 1.8505597136649192
Energy: 2.138839641094068
Energy: 1.8505597136643135
Energy: 1.6450159686836083
Energy: 2.3639033228048216
Energy: 1.6450159686830021
Energy: 2.3639033228048216
Energy: 1.6450159686836083
Energy: 2.3639033228048216
Energy: 1.8912138478038178
Energy: 2.168207185054048
Energy: 1.8912138478038178
Energy: 2.1682071850552322
Energy: 1.8912138478038178
Energy: 2.1682071850546536
Energy: 2.0473772508882715
Energy: 1.8464359059953646
Energy: 2.047377250908869
Energy: 1.8464359060383493
Energy: 2.0473772508852695
Energy: 1.8464359060365318
Energy: 1.9086226316476869
Energy: 1.9884828979412885
Energy: 1.9086226316488986
Energy: 1.9884828979412885
Energy: 1.9086226316482926
Energy: 1.9884828979412885
Energy: 2.176703678519707
Energy: 2.14297113632063
Energy: 2.1767036785203127
Energy: 2.1429711363248423
Energy: 2.176703678519707
Energy: 2.14297113632063
Energy: 2.1304733048282634
Energy: 1.641088675533492
Energy: 2.1304733048282634
Energy: 1.6410886755280396
Energy: 2.1304733048282634
Energy: 1.6410886755353091
Energy: 2.107071258501736
Energy: 2.1642597267168013
Energy: 2.107071258502947
Energy: 2.1642597267161956
Energy: 2.1070712585011298
Energy: 2.1642597267155894
Energy: 1.9652357303662902
Energy: 1.9447631329752195
Energy: 1.9652357303668961
Energy: 1.9447631329746142
Energy: 1.9652357303668961
Energy: 1.9447631329752195
Energy: 2.297765784312314
Energy: 1.8748404736901618
Energy: 2.297765784311708
Energy: 1.8748404736877389
Energy: 2.297765784311708
Energy: 1.874840473685921
Energy: 1.7805409092259037
Energy: 2.1008488513861647
Energy: 1.7805409092259037
Energy: 2.1008488513861647
Energy: 1.7805409092259037
Energy: 2.1008488513861647
Energy: 2.1667207620102116
Energy: 2.1756297313453037
Energy: 2.166720762012029
Energy: 2.1756297313392454
Energy: 2.166720762012029
Energy: 2.175629731338034
Energy: 2.1454628201547448
Energy: 1.8898961239373018
Energy: 2.145462820163226
Energy: 1.8898961239318495
Energy: 2.1454628201614083
Energy: 1.8898961239373018
Energy: 1.9320963200669021
Energy: 1.8941273483397973
Energy: 1.9320963199282544
Energy: 1.8941273483361625
Energy: 1.9320963198555845
Energy: 1.894127348335557
Energy: 2.408092611713196
Energy: 1.9169199014497547
Energy: 2.408092611715619
Energy: 1.916919901449149
Energy: 2.408092611713196
Energy: 1.916919901449149
Energy: 2.3179771607295443
Energy: 1.745902214179004
Energy: 2.3179771607289386
Energy: 1.7459022141783982
Energy: 2.3179771607289386
Energy: 1.7459022141783982
Energy: 1.7366640325417753
Energy: 2.2397038716732824
Energy: 1.7366640325484393
Energy: 2.2397038716732824
Energy: 1.7366640325429867
Energy: 2.2397038716732824
Energy: 2.112778591617402
Energy: 2.1818886374139153
Energy: 2.1127785916186133
Energy: 2.1818886374139153
Energy: 2.112778591617402
Energy: 2.1818886374139153
Energy: 2.1527360772410695
Energy: 2.2102333729522785
Energy: 2.1527360772410695
Energy: 2.2102333729522785
Energy: 2.1527360772410695
Energy: 2.2102333729522785
Energy: 1.7199769764068478
Energy: 2.0786411578214117
Energy: 1.7199769764068478
Energy: 2.078641157820806
Energy: 1.7199769764074535
Energy: 2.0786411578214117
Energy: 2.2506780445161856
Energy: 2.0298814294073373
Energy: 2.2506780436520804
Energy: 2.0298814294073373
Energy: 2.25067804339351
Energy: 2.029881429408549
Energy: 2.2288996176761806
Energy: 1.873234560164569
Energy: 2.2288996176779983
Energy: 1.873234560165175
Energy: 2.228899617676787
Energy: 1.873234560165175

minimum gb energy = 1.589885221652591 eV
minimum distance =  2.28551874046149 Angstroms
sigma value = 57


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

Energy: 2.0802499907364767
Energy: 2.1712864756501093
Energy: 2.0802499907364767
Energy: 2.1712864756501093
Energy: 2.0802499907364767
Energy: 2.1712864756501093
Energy: 1.860785601925558
Energy: 2.2294534824589145
Energy: 1.860785601925558
Energy: 2.2294534825128167
Energy: 1.860785601925558
Energy: 2.2294534824718513
Energy: 1.9433824253048786
Energy: 1.8824712946485451
Energy: 1.9433824252897862
Energy: 1.8824712946420767
Energy: 1.9433824253027225
Energy: 1.8824712946420767
Energy: 2.101800383727929
Energy: 2.297306419860875
Energy: 2.1018003837290067
Energy: 2.297310002800719
Energy: 2.101800383727929
Energy: 2.297302122217546
Energy: 1.5534437627233162
Energy: 1.8794167696906183
Energy: 1.5534437625745947
Energy: 1.8794167696906183
Energy: 1.55344376271577
Energy: 1.8794167696916966
Energy: 1.8384332685231974
Energy: 2.116273289563382
Energy: 1.8384332685231974
Energy: 2.116273289560148
Energy: 1.8384332685231974
Energy: 2.116273289579553
Energy: 2.0802499907364767
Energy: 2.1712864756501093
Energy: 2.0802499907364767
Energy: 2.1712864756501093
Energy: 2.0802499907364767
Energy: 2.1712864756501093
Energy: 1.8607856019244802
Energy: 2.2294534824417145
Energy: 1.8607856019244802
Energy: 2.2294534824761634
Energy: 1.8607856019244802
Energy: 2.22945348248371
Energy: 1.9433824252488203
Energy: 1.8824712943554633
Energy: 1.9433824252488203
Energy: 1.882471294354385
Energy: 1.9433824252542105
Energy: 1.882471294348995
Energy: 2.101800383727929
Energy: 2.356510439487885
Energy: 2.1018003837268506
Energy: 2.3565104394868066
Energy: 2.1018003837257724
Energy: 2.3565104394836216
Energy: 1.5534437625918434
Energy: 1.8794167696960087
Energy: 1.5534437627771696
Energy: 1.8794167696927744
Energy: 1.5534437627566868
Energy: 1.8794167696960087
Energy: 1.8384332685242755
Energy: 2.1162732896808403
Energy: 1.8384332685231974
Energy: 2.1162732896808403
Energy: 1.8384332685231974
Energy: 2.1162732896829963
Energy: 2.0802499907364767
Energy: 2.171286475649031
Energy: 2.0802499907364767
Energy: 2.171286475649031
Energy: 2.0802499907364767
Energy: 2.171286475649031
Energy: 1.860785601925558
Energy: 2.2294534826916745
Energy: 1.860785601925558
Energy: 2.2294534826841286
Energy: 1.860785601925558
Energy: 2.2294534826669286
Energy: 1.9433824252660692
Energy: 1.8824712944664532
Energy: 1.9433824252725376
Energy: 1.8824712944675313
Energy: 1.9433824252746936
Energy: 1.8824712944653752
Energy: 2.1018003837268506
Energy: 2.3565104395245386
Energy: 2.1018003837268506
Energy: 2.3565104395137584
Energy: 2.1018003837246946
Energy: 2.3565104395213043
Energy: 1.5534437615024284
Energy: 1.8794167696895405
Energy: 1.5534437615250183
Energy: 1.8794167696906183
Energy: 1.5534437614452918
Energy: 1.8794167696906183

minimum gb energy = 1.5534437614452918 eV
minimum distance =  2.32981185842101 Angstroms
sigma value = 9


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

Energy: 1.975431326614932
Energy: 1.5544733206912904
Energy: 1.975431326614932
Energy: 1.5544733207000925
Energy: 1.975431326614052
Energy: 1.5544733206904102
Energy: 2.107951478277374
Energy: 2.363268580162635
Energy: 2.1079514782764934
Energy: 2.3632685796250597
Energy: 2.107951478277374
Energy: 2.363268579941779
Energy: 2.0788216300678664
Energy: 2.1515023306271295
Energy: 2.0788216300678664
Energy: 2.15150233062801
Energy: 2.0788216300678664
Energy: 2.1515023306271295
Energy: 1.997237183934257
Energy: 1.911463879217491
Energy: 1.9972371839333767
Energy: 1.911463879223653
Energy: 1.9972371839324967
Energy: 1.9114638792201317
Energy: 2.1548161852896635
Energy: 2.15057840843076
Energy: 2.154816185294945
Energy: 2.15057840843076
Energy: 2.1548161852958256
Energy: 2.15057840843076
Energy: 2.210257954561988
Energy: 2.000921251968368
Energy: 2.210257954561988
Energy: 2.0009212519657273
Energy: 2.210257954561988
Energy: 2.000921251966607
Energy: 1.921737546751623
Energy: 1.7683095544559018
Energy: 1.9217375467498623
Energy: 1.7683095544559018
Energy: 1.9217375467533833
Energy: 1.7683095544550218
Energy: 2.3680202530091
Energy: 2.3507471946097485
Energy: 2.3680202530108603
Energy: 2.3507471946097485
Energy: 2.3680202530091
Energy: 2.3507471946097485
Energy: 2.0285154836958346
Energy: 2.4040793557130242
Energy: 2.0285154836958346
Energy: 2.40407935573675
Energy: 2.0285154836958346
Energy: 2.404079355721826
Energy: 1.8974185886148296
Energy: 1.7598703617297065
Energy: 1.8974185886086683
Energy: 1.7598703617297065
Energy: 1.897418588613069
Energy: 1.7598703617305866
Energy: 2.3745487784094914
Energy: 2.230493348014428
Energy: 2.3745487784174144
Energy: 2.2304933480153086
Energy: 2.374548778416534
Energy: 2.2304933480153086
Energy: 1.6422519798964768
Energy: 1.9259551139329654
Energy: 1.6422519798964768
Energy: 1.9259551139408877
Energy: 1.6422519798973574
Energy: 1.925955113942648
Energy: 2.3235945810208496
Energy: 1.994893770839277
Energy: 2.323594581018209
Energy: 1.9948937708375165
Energy: 2.3235945810190892
Energy: 1.9948937708401573
Energy: 2.0414219811741345
Energy: 2.0860797669184303
Energy: 2.041421978040186
Energy: 2.0860797669184303
Energy: 2.0414219818137758
Energy: 2.0860797669184303
Energy: 1.7455772542752073
Energy: 2.0778863722327072
Energy: 1.7455772542760872
Energy: 2.0778863722327072
Energy: 1.7455772542760872
Energy: 2.0778863722327072
Energy: 1.8442083805007738
Energy: 2.070523808618125
Energy: 1.8442083804998934
Energy: 2.070523808617245
Energy: 1.8442083805007738
Energy: 2.070523808618125
Energy: 2.3693555513971556
Energy: 1.987671318697562
Energy: 2.3693555513971556
Energy: 1.9876713187327708
Energy: 2.369355551398036
Energy: 1.987671318709005
Energy: 1.7404290058354457
Energy: 2.087844665647983
Energy: 1.7404290058363256
Energy: 2.087844665648863
Energy: 1.7404290058354457
Energy: 2.087844665647983
Energy: 2.130507584125932
Energy: 1.884710926138144
Energy: 2.130507584126812
Energy: 1.8847109261785941
Energy: 2.130507584126812
Energy: 1.8847109261223
Energy: 2.3239940606596514
Energy: 2.2233103576950644
Energy: 2.3239940607089036
Energy: 2.2233103576959445
Energy: 2.3239940606596514
Energy: 2.2233103576968243
Energy: 1.5803396850227256
Energy: 2.3001892532887256
Energy: 1.5803396850218456
Energy: 2.3001892532896058
Energy: 1.580339685023606
Energy: 2.3001892532887256

minimum gb energy = 1.5544733206904102 eV
minimum distance =  2.3218302838156 Angstroms
sigma value = 27


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

Energy: 1.5887447889769521
Energy: 1.849221922878152
Energy: 1.588744788644688
Energy: 1.8492219236976497
Energy: 1.588744788963597
Energy: 1.8492219229248616
Energy: 2.044791022303287
Energy: 1.9881138108309115
Energy: 2.0447910223040293
Energy: 1.9881138108309115
Energy: 2.044791022303287
Energy: 1.9881138108309115
Energy: 1.7441026053486315
Energy: 2.0766898370937508
Energy: 1.7441026053508573
Energy: 2.0766898370922666
Energy: 1.7441026053493731
Energy: 2.0766898370930083
Energy: 2.377810145077185
Energy: 2.2143380830343857
Energy: 2.377810145092024
Energy: 2.2143380830343857
Energy: 2.377810145075701
Energy: 2.2143380830343857
Energy: 1.762581361815102
Energy: 2.299932919418706
Energy: 1.762581361815102
Energy: 2.299932919418706
Energy: 1.762581361815102
Energy: 2.2999329194157383
Energy: 1.85862217983535
Energy: 1.973237901411122
Energy: 1.85862217983535
Energy: 1.973237903105765
Energy: 1.85862217983535
Energy: 1.9732379021742645
Energy: 1.7888405775183631
Energy: 1.984445873354513
Energy: 1.7888405775176208
Energy: 1.9844458733649002
Energy: 1.788840577519847
Energy: 1.9844458733582226
Energy: 1.7712645562894462
Energy: 1.8445157753113592
Energy: 1.7712645588829428
Energy: 1.844515775315811
Energy: 1.7712645530106794
Energy: 1.8445157753121013
Energy: 1.7355700906291205
Energy: 2.1768155388241306
Energy: 1.735570090658057
Energy: 2.1768155388241306
Energy: 1.7355700906217004
Energy: 2.1768155388241306
Energy: 2.1902693817083256
Energy: 1.8351200817233169
Energy: 2.190269381722423
Energy: 1.835120081590573
Energy: 2.190269381748358
Energy: 1.8351200816758648
Energy: 2.272816381762898
Energy: 1.9034653267310577
Energy: 2.2728163833032795
Energy: 1.9034653267362514
Energy: 2.2728163830785664
Energy: 1.9034653267362514
Energy: 1.6102900561718165
Energy: 2.0105367923985726
Energy: 1.6102900561725584
Energy: 2.0105367923985726
Energy: 1.6102900561718165
Energy: 2.0105367923985726
Energy: 1.653047848423258
Energy: 2.1568918606125362
Energy: 1.6530478492954015
Energy: 2.15689186060515
Energy: 1.6530478487072946
Energy: 2.156891860603666
Energy: 1.6080039149205008
Energy: 1.7381993950513897
Energy: 1.6080039148952738
Energy: 1.7381993950528736
Energy: 1.6080039149197585
Energy: 1.7381993950521315
Energy: 1.717110777666054
Energy: 2.0864197398561566
Energy: 1.717110777666054
Energy: 2.0864197398554145
Energy: 1.717110777666054
Energy: 2.0864197398583824
Energy: 1.7401986867591868
Energy: 2.6086515357582525
Energy: 1.740198686756961
Energy: 2.6086515357226383
Energy: 1.7401986867591868
Energy: 2.608651535682606
Energy: 2.2689235167897164
Energy: 1.8587991834652653
Energy: 2.268923516783039
Energy: 1.8587991834652653
Energy: 2.2689235167800716
Energy: 1.8587991834660076
Energy: 2.012916945920965
Energy: 1.7801945515359525
Energy: 2.0129169459217064
Energy: 1.7801945815750864
Energy: 2.012916945920965
Energy: 1.7801945392686118
Energy: 1.7335664867129335
Energy: 1.8652761451428026
Energy: 1.733566485690981
Energy: 1.8652761451420607
Energy: 1.7335664871452954
Energy: 1.8652761451413187
Energy: 1.5887447881077768
Energy: 1.849221921925877
Energy: 1.5887447880165493
Energy: 1.8492219229181843
Energy: 1.5887447881878414
Energy: 1.849221921962233
Energy: 2.044791022301803
Energy: 1.9881138108316534
Energy: 2.044791022301803
Energy: 1.9881138108316534
Energy: 2.044791022301061
Energy: 1.9881138108309115
Energy: 1.7441026053745665
Energy: 2.0766898370900404
Energy: 1.7441026053753084
Energy: 2.0766898370900404
Energy: 1.7441026053745665
Energy: 2.0766898370907825
Energy: 2.377810144879182
Energy: 2.2143380830329016
Energy: 2.377810144899957
Energy: 2.214338083033644
Energy: 2.377810144888828
Energy: 2.214338083033644
Energy: 1.7625813618158437
Energy: 2.2999329193704785
Energy: 1.762581361815102
Energy: 2.2999329193712206
Energy: 1.762581361815102
Energy: 2.2999329193675107
Energy: 1.85862217983535
Energy: 1.9732379023974937
Energy: 1.8586221798360918
Energy: 1.9732379035373846
Energy: 1.85862217983535
Energy: 1.9732379030538272

minimum gb energy = 1.5887447880165493 eV
minimum distance =  2.33169058215885 Angstroms
sigma value = 19


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

Energy: 1.4361934474149534
Energy: 1.8190540096935293
Energy: 1.4361934474149534
Energy: 1.8190540096935293
Energy: 1.4361934474143128
Energy: 1.8190540096935293
Energy: 2.0681869013327203
Energy: 2.13355038230276
Energy: 2.068186901333361
Energy: 2.1335503823130075
Energy: 2.0681869013288776
Energy: 2.1335503822150765
Energy: 2.033426789793984
Energy: 1.83171316040414
Energy: 2.033426789790141
Energy: 1.8317131604054209
Energy: 2.0334267897907816
Energy: 1.8317131604047803
Energy: 1.4615742450233287
Energy: 1.6040487279009223
Energy: 1.4615742450252502
Energy: 1.604048727900282
Energy: 1.4615742450278117
Energy: 1.6040487279009223
Energy: 2.236969125877614
Energy: 2.1196623693484002
Energy: 2.2369691258756927
Energy: 2.1196623693496814
Energy: 2.2369691258756927
Energy: 2.1196623693355914
Energy: 1.538596235965448
Energy: 1.521524281819361
Energy: 1.5385962359648073
Energy: 1.521524281819361
Energy: 1.5385962359648073
Energy: 1.521524281818721
Energy: 2.211751157348137
Energy: 2.226450163915678
Energy: 2.211751157347497
Energy: 2.2264501639188805
Energy: 2.211751157348137
Energy: 2.226450163920802
Energy: 2.1237802252799294
Energy: 2.1077251935314867
Energy: 2.123780225270963
Energy: 2.1077251935314867
Energy: 2.123780225274806
Energy: 2.107725193532127
Energy: 1.4932367898975802
Energy: 1.375483228109827
Energy: 1.4932367898995016
Energy: 1.3754832280995801
Energy: 1.4932367898969399
Energy: 1.3754832281072655
Energy: 2.103264910854304
Energy: 2.1416638382312505
Energy: 2.103264910854944
Energy: 2.1416638384726143
Energy: 2.103264910854304
Energy: 2.1416638382024584
Energy: 1.7445828048626955
Energy: 1.7981418839649317
Energy: 1.7445828048626955
Energy: 1.7981418839694145
Energy: 1.7445828048626955
Energy: 1.798141883970055
Energy: 2.022140864340889
Energy: 1.6341131034657064
Energy: 2.0221408643287204
Energy: 1.6341131034926057
Energy: 2.0221408643735233
Energy: 1.63411310341578
Energy: 2.2696578007636026
Energy: 2.174712191588666
Energy: 2.269657800765524
Energy: 2.174712191588666
Energy: 2.2696578007668053
Energy: 2.174712191588666
Energy: 1.578866242980171
Energy: 1.5301227701490627
Energy: 1.578866242980171
Energy: 1.5301227701490627
Energy: 1.5788662429788898
Energy: 1.5301227701490627
Energy: 2.192366795434143
Energy: 1.9535711752502838
Energy: 2.192366795434783
Energy: 1.9535711752502838
Energy: 2.192366795434783
Energy: 1.9535711752515645
Energy: 1.8128978020739872
Energy: 1.7657572590885329
Energy: 1.8128978020739872
Energy: 1.7657572592018642
Energy: 1.8128978020727062
Energy: 1.7657572590891732
Energy: 1.6355654390150818
Energy: 1.8139921062884736
Energy: 1.6355654390144414
Energy: 1.813992106282069
Energy: 1.6355654390131604
Energy: 1.813992106286552
Energy: 2.1771514084159125
Energy: 2.201311451932323
Energy: 2.1771514084159125
Energy: 2.201311451935526
Energy: 2.1771514084159125
Energy: 2.2013114519393686
Energy: 1.717882092310467
Energy: 1.6505271088365663
Energy: 1.717882092310467
Energy: 1.650527108854499
Energy: 1.717882092310467
Energy: 1.6505271088327238
Energy: 1.6519211637701599
Energy: 1.830541014083278
Energy: 1.6519211637688789
Energy: 1.830541014083278
Energy: 1.651921163768238
Energy: 1.8305410140755927
Energy: 1.9630020005410382
Energy: 1.9645095205025656
Energy: 1.9630020005410382
Energy: 1.9645095196056956
Energy: 1.9630020005410382
Energy: 1.9645095189629693
Energy: 1.7474243286466347
Energy: 1.5145210935990494
Energy: 1.747424328661365
Energy: 1.5145210935996898
Energy: 1.747424328647275
Energy: 1.5145210935990494
Energy: 2.211403698742868
Energy: 2.289566964920008
Energy: 2.211403698743508
Energy: 2.2895669649750583
Energy: 2.211403698742868
Energy: 2.289566964877127
Energy: 1.8006326739563812
Energy: 1.9071023878293074
Energy: 1.800632673970471
Energy: 1.9071023878293074
Energy: 1.8006326739711118
Energy: 1.9071023878293074
Energy: 1.7518485070919378
Energy: 1.6660855936960741
Energy: 1.7518485070938592
Energy: 1.6660855936954337
Energy: 1.7518485070938592
Energy: 1.6660855936947934
Energy: 2.332153850070904
Energy: 2.1553643744552744
Energy: 2.332153850070904
Energy: 2.155364374442495
Energy: 2.332153850070904
Energy: 2.155364374472567
Energy: 1.687859291124223
Energy: 1.5437759076398014
Energy: 1.687859291124223
Energy: 1.5437759076404418
Energy: 1.687859291124223
Energy: 1.5437759076398014
Energy: 2.0253101315369237
Energy: 2.0306440224612743
Energy: 2.025310131408891
Energy: 2.0306440224612743
Energy: 2.025310131485076
Energy: 2.0306440224619147
Energy: 2.055505835622734
Energy: 1.8429938462107207
Energy: 2.055505835623374
Energy: 1.8429938462177657
Energy: 2.055505835623374
Energy: 1.8429938462152038

minimum gb energy = 1.3754832280995801 eV
minimum distance =  2.24894983100766 Angstroms
sigma value = 101


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

Energy: 1.339394355669559
Energy: 1.584616444873144
Energy: 1.3393943556763148
Energy: 1.584616444873707
Energy: 1.339394355670685
Energy: 1.584616444872581
Energy: 2.1992180595924755
Energy: 2.0846375598967293
Energy: 2.199218059593039
Energy: 2.0846375598972915
Energy: 2.1992180595924755
Energy: 2.0846375598967293
Energy: 1.8024745417092036
Energy: 1.419417904269747
Energy: 1.8024745417086405
Energy: 1.4194179834227247
Energy: 1.8024745417086405
Energy: 1.4194179126602657
Energy: 1.7732126784438285
Energy: 1.8169665145925642
Energy: 1.7732126784438285
Energy: 1.8169665119240352
Energy: 1.7732126784438285
Energy: 1.8169665111401463
Energy: 1.8155984023866407
Energy: 2.0211414271307837
Energy: 1.8155984023855147
Energy: 2.0211414271296575
Energy: 1.8155984023866407
Energy: 2.0211414271296575
Energy: 1.4458400759145114
Energy: 1.310215005930204
Energy: 1.4458400759235193
Energy: 1.310215005929078
Energy: 1.4458400759156373
Energy: 1.3102150059296411
Energy: 1.9860840197886336
Energy: 2.1262718139493497
Energy: 1.9860840197886336
Energy: 2.1262718143499955
Energy: 1.9860840197841294
Energy: 2.1262718141868304
Energy: 1.7715533335037168
Energy: 2.2273700002392958
Energy: 1.7715533335065319
Energy: 2.227370000240984
Energy: 1.7715533335042795
Energy: 2.2273700002376065
Energy: 1.4645968234542686
Energy: 1.4067195554769172
Energy: 1.4645968234553943
Energy: 1.406719555476354
Energy: 1.4645968234548314
Energy: 1.406719555476354
Energy: 1.9876039862185486
Energy: 2.3076546820736645
Energy: 1.9876039862202377
Energy: 2.212762947578904
Energy: 1.9876039862196746
Energy: 2.0579714756298295
Energy: 1.3509886667762223
Energy: 1.724786300906282
Energy: 1.3509886668212614
Energy: 1.724786300905156
Energy: 1.350988666791986
Energy: 1.7247863009040298
Energy: 2.3468896422008316
Energy: 1.9796217007415624
Energy: 2.3468896423319574
Energy: 1.979621700708346
Energy: 2.346889642235174
Energy: 1.9796217007105978
Energy: 1.696121264909767
Energy: 1.6164886301195227
Energy: 1.696121264911456
Energy: 1.6164886301189596
Energy: 1.696121264909767
Energy: 1.6164886301195227
Energy: 1.5618038395095732
Energy: 1.764210150850079
Energy: 1.5618038395950968
Energy: 1.753013245616193
Energy: 1.561803840299655
Energy: 1.7530132456145044
Energy: 2.144856725079258
Energy: 2.1090247574555003
Energy: 2.144856725079258
Energy: 2.1090247574555003
Energy: 2.144856725079258
Energy: 2.109024757456064
Energy: 1.732602224219493
Energy: 1.5201851664894899
Energy: 1.732602224217804
Energy: 1.5201851664906159
Energy: 1.732602224217804
Energy: 1.520185166488364
Energy: 1.9151232096793467
Energy: 2.0512558580540787
Energy: 1.9151232096793467
Energy: 2.0512558581784486
Energy: 1.9151232096799096
Energy: 2.0512558579347755
Energy: 1.7228316736596683
Energy: 1.9560964721037715
Energy: 1.7228316736585425
Energy: 1.9560964721043341
Energy: 1.7228316736596683
Energy: 1.9560964721043341
Energy: 1.5780306702625995
Energy: 1.543058727311296
Energy: 1.5780306702625995
Energy: 1.54305872259834
Energy: 1.5780306702625995
Energy: 1.5430587280310548
Energy: 1.9588909464846969
Energy: 2.3397106962290133
Energy: 1.9588909464858226
Energy: 2.3397106962290133
Energy: 1.9588909464841338
Energy: 2.339710696228502
Energy: 1.5101740069453689
Energy: 1.9770301689705245
Energy: 1.5101740069459317
Energy: 1.977030168975028
Energy: 1.5101740069448057
Energy: 1.9770301689705245
Energy: 2.077826210367817
Energy: 1.8708088435364205
Energy: 2.077826210366691
Energy: 1.8708088435358574
Energy: 2.077826210367817
Energy: 1.8708088435375465
Energy: 1.8445272030501745
Energy: 1.952271634975247
Energy: 1.8445272030501745
Energy: 1.952271634975247
Energy: 1.8445272030501745
Energy: 1.952271634976373
Energy: 1.3160844287917355
Energy: 1.5964541649222692
Energy: 1.3160844287928615
Energy: 1.596454164931226
Energy: 1.3160844287928615
Energy: 1.596454164926722
Energy: 2.3837996643091786
Energy: 2.204580270733274
Energy: 2.3837996643091786
Energy: 2.204580270733274
Energy: 2.3837996643091786
Energy: 2.204580270733274
Energy: 1.6241146168864524
Energy: 1.6825434636388612
Energy: 1.624114616887015
Energy: 1.6825434636394245
Energy: 1.624114616887015
Energy: 1.6825434636388612
Energy: 1.8403767958247674
Energy: 2.0193001721687382
Energy: 1.8403767958247674
Energy: 2.019300172057317
Energy: 1.8403767958247674
Energy: 2.019300172219408
Energy: 1.9864065220409248
Energy: 2.0447186250105363
Energy: 1.9864065220409248
Energy: 2.044718625009973
Energy: 1.9864065220409248
Energy: 2.044718625009973
Energy: 1.6008323812428837
Energy: 1.5088569535089151
Energy: 1.6008323812428837
Energy: 1.5088569534329621
Energy: 1.6008323812423209
Energy: 1.50885695351173
Energy: 2.1195964643315457
Energy: 2.368184685643397
Energy: 2.1195964643321092
Energy: 2.3681846857053257
Energy: 2.1195964643315457
Energy: 2.3681846856659163
Energy: 1.5949633177562084
Energy: 1.7996111916959245
Energy: 1.5949633177573344
Energy: 1.7996111916970503
Energy: 1.5949633177573344
Energy: 1.7996111916981767
Energy: 1.6713199332071438
Energy: 1.779437050948606
Energy: 1.6713199332116473
Energy: 1.7794370509643698
Energy: 1.6713199332105215
Energy: 1.779437050954236
Energy: 2.144660314557628
Energy: 1.8789837648175
Energy: 2.1446603145581906
Energy: 1.8789837649772874
Energy: 2.1446603145621315
Energy: 1.8789837648714962

minimum gb energy = 1.310215005929078 eV
minimum distance =  2.28169509436082 Angstroms
sigma value = 33


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

Energy: 0.02053982119109887
Energy: 1.364140484278262
Energy: 0.02053982119109887
Energy: 1.3641404842777944
Energy: 0.02053982119109887
Energy: 1.364140484278262
Energy: 2.353597421744645
Energy: 2.197108172095082
Energy: 2.3535974217451128
Energy: 2.197108172094614
Energy: 2.3535974217451128
Energy: 2.197108172095082
Energy: 1.6169679755294808
Energy: 0.4336585580989512
Energy: 1.7071605413426647
Energy: 0.4336585580989512
Energy: 1.707306568259102
Energy: 0.4336585580989512
Energy: 2.3535974217451128
Energy: 2.197108172094614
Energy: 2.3535974217451128
Energy: 2.197108172095082
Energy: 2.3535974217451128
Energy: 2.197108172095082

minimum gb energy = 0.02053982119109887 eV
minimum distance =  2.45914922135807 Angstroms
sigma value = 1