Model name: model_name=Sim_LAMMPS_MEAM_Wagner_2007_Ni__SM_168413969663_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999995827675
cohesive_energy=4.450349977971171
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.020540117381100093
Energy: 1.5044075468398954
Energy: 1.5044075468414198
Energy: 0.020540117381100093
Energy: 1.5044075468398954
Energy: 1.5044075468414198
Energy: 0.020540117381100093
Energy: 1.5044075468414198
Energy: 1.5044075468414198
Energy: 0.020540117381100093
Energy: 2.210304701754761
Energy: 0.024328389310549633
Energy: 1.5070900387133719
Energy: 2.210304701754761
Energy: 0.024328389310549633
Energy: 1.5070900387133719
Energy: 2.210304701754761
Energy: 0.024328389310549633
Energy: 1.5070900387133719
Energy: 2.210304701754761
Energy: 2.112187988788012
Energy: 1.3719711990819745
Energy: 1.3719711990819745
Energy: 2.287260219661768
Energy: 1.3719711990819745
Energy: 1.3719711990819745
Energy: 3.115548628263969
Energy: 1.7305318487378512
Energy: 1.3719711990819745
Energy: 2.8388247435996816
Energy: 2.210304701754761
Energy: 1.5070900387133719
Energy: 0.024328389310549633
Energy: 2.210304701754761
Energy: 1.5070900387133719
Energy: 0.024328389310549633
Energy: 2.210304701754761
Energy: 1.5070900387133719
Energy: 0.024328389310549633
Energy: 2.210304701754761
Energy: 0.020540117381100093
Energy: 1.5044075468398954
Energy: 1.5044075468414198
Energy: 0.020540117381100093
Energy: 1.5044075468414198
Energy: 1.5044075468414198
Energy: 0.020540117381100093
Energy: 1.5044075468414198
Energy: 1.5044075468398954
Energy: 0.020540117381100093
Energy: 2.210304701754761
Energy: 0.024328389310549633
Energy: 1.5070900387133719
Energy: 2.210304701754761
Energy: 0.024328389310549633
Energy: 1.5070900387133719
Energy: 2.210304701754761
Energy: 0.024328389310549633
Energy: 1.5070900387133719
Energy: 2.210304701753236
Energy: 2.6945807913889603
Energy: 1.3719711990819745
Energy: 1.7305318487378512
Energy: 2.7962269798753767
Energy: 1.3719711990819745
Energy: 1.3719711990819745
Energy: 2.703590536508596
Energy: 1.3719711990819745
Energy: 1.3719711990819745
Energy: 1.7563029765701748

minimum gb energy = 0.020540117381100093 eV
minimum distance =  2.12726549750638 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.35225418789634
Energy: 3.307154862934824
Energy: 3.328906202847576
Energy: 2.3467182380376057
Energy: 3.3071548629385585
Energy: 3.328906202847576
Energy: 2.352254187877667
Energy: 3.307154862934824
Energy: 3.328906202847576
Energy: 2.3467182380376057
Energy: 2.4686073458340854
Energy: 2.030260631599062
Energy: 2.240836524354627
Energy: 2.4686073458378197
Energy: 2.030260631602797
Energy: 2.240836524358362
Energy: 2.4686073458340854
Energy: 2.030260631602797
Energy: 2.240836524354627
Energy: 2.4686073458340854
Energy: 2.2342141636904858
Energy: 2.4631256156866663
Energy: 2.551102773752618
Energy: 2.2199625833699472
Energy: 2.4631256156866663
Energy: 2.551102773752618
Energy: 2.2342141636904858
Energy: 2.4631256156866663
Energy: 2.551102773752618
Energy: 2.219962583355009
Energy: 2.7731461543739155
Energy: 2.8989824655437624
Energy: 2.260487676931686
Energy: 2.7731461543739155
Energy: 2.8989824655474967
Energy: 2.260487676931686
Energy: 2.7731461543739155
Energy: 2.8989824655474967
Energy: 2.260487676931686
Energy: 2.7731461543739155
Energy: 2.0005137675901192
Energy: 2.4398000051265645
Energy: 2.5678312693745826
Energy: 2.0005137675938536
Energy: 2.4342986150825148
Energy: 2.474041338341871
Energy: 2.0005137675901192
Energy: 2.4398000051265645
Energy: 2.5678312693745826
Energy: 2.0005137675901192
Energy: 2.855801261307975
Energy: 2.9929344965989055
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Energy: 2.855801261307975
Energy: 2.9929344966026403
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Energy: 2.855801261307975
Energy: 2.9929344965989055
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Energy: 2.855801261307975
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Energy: 2.7287036874459836
Energy: 2.760164148329635
Energy: 2.71161417774991
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Energy: 2.760164148329635
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Energy: 2.7287036874459836
Energy: 2.760164148329635
Energy: 2.71161417774991
Energy: 2.4467802452103604
Energy: 2.2265663327886513
Energy: 2.1653993835208682
Energy: 2.4467802452103604
Energy: 2.2265663327886513
Energy: 2.16535403607868
Energy: 2.4467802452103604
Energy: 2.2265663327886513
Energy: 2.1653993835208682
Energy: 2.4467802452103604
Energy: 2.31312013909545
Energy: 3.1940433888270987
Energy: 2.693867949183006
Energy: 2.285129971022344
Energy: 3.1940433888270987
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Energy: 2.31312013909545
Energy: 3.1940433888308326
Energy: 2.6938679492054125
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Energy: 2.4309733565371174
Energy: 2.562807816777924
Energy: 2.221307940652129
Energy: 2.4305555195485993
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Energy: 2.222891583676411
Energy: 2.4309733565371174
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Energy: 3.024406591618143
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Energy: 2.479703215824792
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Energy: 2.70493465208921
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Energy: 2.4482713616493696
Energy: 2.70493465208921
Energy: 2.479703215824792
Energy: 2.4482713616456353
Energy: 2.70493465208921
Energy: 2.8417574992167185
Energy: 2.4467877297265166
Energy: 2.9124115469063434
Energy: 2.8417574992167185
Energy: 2.4467877297265166
Energy: 2.9124115469063434
Energy: 2.8417574992167185
Energy: 2.4467877297265166
Energy: 2.9124115469063434
Energy: 2.8417574992167185
Energy: 2.2253050837809396
Energy: 2.4406447715606996
Energy: 2.165382285476364
Energy: 2.2253050837772053
Energy: 2.4406447715606996
Energy: 2.1469233376922867
Energy: 2.2253050837809396
Energy: 2.4406447715606996
Energy: 2.165382285476364
Energy: 2.2253050837772053
Energy: 2.5201220096286177
Energy: 2.4732897246190624
Energy: 2.772896851820152
Energy: 2.5201220096286177
Energy: 2.4732897246190624
Energy: 2.772896851820152
Energy: 2.5201220096248833
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Energy: 2.772896851820152
Energy: 2.5201220096248833
Energy: 2.3456395930402967
Energy: 2.8788685016620637
Energy: 3.195329130630376
Energy: 2.389001425894912
Energy: 2.878868501665798
Energy: 3.195329130630376
Energy: 2.3456395930402967
Energy: 2.878868501665798
Energy: 3.1953291306341107
Energy: 2.389001425894912
Energy: 2.353929932255002
Energy: 2.174247897095186
Energy: 2.316177852315794
Energy: 2.353929932255002
Energy: 2.1742478970914516
Energy: 2.316177852315794
Energy: 2.3539299322512677
Energy: 2.1742478970914516
Energy: 2.316177852315794
Energy: 2.3539299322512677
Energy: 2.963230620964242
Energy: 2.825172704570074
Energy: 2.497416223706726
Energy: 2.963230620964242
Energy: 2.825172704570074
Energy: 2.497416223706726
Energy: 2.963230620964242
Energy: 2.825172704570074
Energy: 2.497416223706726
Energy: 2.963230620964242
Energy: 2.94785327820011
Energy: 2.3849065584593063
Energy: 2.835371780954483
Energy: 2.9478532781963755
Energy: 2.384363447940866
Energy: 2.8353717809582175
Energy: 2.9478532781963755
Energy: 2.3849065584593063
Energy: 2.8353717809582175
Energy: 2.9478532781963755
Energy: 2.064337929211168
Energy: 2.4718665756464353
Energy: 2.4298092958693296
Energy: 2.0643379292074338
Energy: 2.4519519758130834
Energy: 2.4292566755885465
Energy: 2.064337929211168
Energy: 2.471866575642701
Energy: 2.4298092958693296
Energy: 2.064337929211168
Energy: 2.879320122398942
Energy: 2.4128335443595175
Energy: 2.8251745912456676
Energy: 2.8793201224026763
Energy: 2.4128335443595175
Energy: 2.8251745912456676
Energy: 2.879320122398942
Energy: 2.4128335443595175
Energy: 2.8251745912456676
Energy: 2.879320122398942
Energy: 2.4374041287933763
Energy: 2.4596138441965874
Energy: 2.384115961121198
Energy: 2.437404129032314
Energy: 2.4596138441965874
Energy: 2.384115961117464
Energy: 2.4374041289613593
Energy: 2.4596138442003217
Energy: 2.384115961117464
Energy: 2.437404129218969
Energy: 2.4413163694085442
Energy: 2.347746378365553
Energy: 2.2622387577327965
Energy: 2.441316369401075
Energy: 2.347746378361818
Energy: 2.266654891110363
Energy: 2.4413163694122786
Energy: 2.347746378365553
Energy: 2.262238757729062
Energy: 2.4413163694085442
Energy: 2.3841587109484084
Energy: 3.307154862934824
Energy: 3.328906202847576
Energy: 2.3909488740541
Energy: 3.307154862934824
Energy: 3.328906202847576
Energy: 2.3841587109484084
Energy: 3.307154862934824
Energy: 3.328906202843841
Energy: 2.3909488740541
Energy: 2.4686073457818707
Energy: 2.0302606315953278
Energy: 2.2408365243620953
Energy: 2.46860734578934
Energy: 2.0302606315953278
Energy: 2.24083652436583
Energy: 2.468607345793074
Energy: 2.0302606315953278
Energy: 2.2408365243620953
Energy: 2.4686073457968085
Energy: 2.254112082000747
Energy: 2.4631256156829315
Energy: 2.551102773752618
Energy: 2.2301238651848254
Energy: 2.4631256156829315
Energy: 2.551102773752618
Energy: 2.254112081997013
Energy: 2.4631256156866663
Energy: 2.551102773752618
Energy: 2.2301238651885598
Energy: 2.7731461543813842
Energy: 2.898982465540028
Energy: 2.260487676931686
Energy: 2.7731461543813842
Energy: 2.898982465540028
Energy: 2.260487676931686
Energy: 2.7731461543664464
Energy: 2.8989824655362937
Energy: 2.260487676931686
Energy: 2.7731461543776494

minimum gb energy = 2.0005137675901192 eV
minimum distance =  2.33667919848672 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.560747299056968
Energy: 2.43381931285812
Energy: 2.2554586093885525
Energy: 2.446309006486391
Energy: 2.43381931285812
Energy: 2.2554586093885525
Energy: 2.560747299056968
Energy: 2.433819312859942
Energy: 2.2554586093885525
Energy: 2.446309006486391
Energy: 2.7569554923076924
Energy: 2.086631313804646
Energy: 2.883969078270666
Energy: 2.756955492318592
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Energy: 2.086631313804646
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Energy: 2.756955492322237
Energy: 2.5151107967540542
Energy: 2.637013889083532
Energy: 2.709169659632611
Energy: 2.540033861924793
Energy: 2.6370138892693005
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Energy: 2.5151107967540542
Energy: 2.6370138891509214
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Energy: 2.203627156266476
Energy: 2.921341550752246
Energy: 2.7045665434713455
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Energy: 2.9213415507467797
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Energy: 2.235174802239525
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Energy: 2.581469856529702
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Energy: 2.5978247892547937
Energy: 2.581469856529702
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Energy: 2.581469856529702
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Energy: 2.069368714176414
Energy: 2.3891551594115734
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Energy: 2.298799904160158
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Energy: 2.837559784717389
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Energy: 2.079952463328771
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Energy: 1.8976333184483583
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Energy: 2.9471481267457627
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Energy: 2.4082803149291583
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Energy: 2.260390030379781
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Energy: 1.7238942929329681
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Energy: 2.502791726644575
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Energy: 2.315708725357513
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Energy: 2.5977268530568054
Energy: 1.9038547823060417
Energy: 2.859989732656696
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Energy: 1.903854782295108
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Energy: 2.124780626438266
Energy: 2.3188883963809652
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Energy: 2.28997507459804
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Energy: 2.28997507459804
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Energy: 2.2460666114001007
Energy: 2.7814769737248066
Energy: 2.80730824159653
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minimum gb energy = 1.723894292931146 eV
minimum distance =  2.20835708117246 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.5060729401426327
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Energy: 2.3480044846755463
Energy: 2.5725132802088417
Energy: 2.779274289773175
Energy: 2.3557954311702183
Energy: 2.4668212112329986
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Energy: 2.4278689380278524
Energy: 2.5725132802088417
Energy: 2.779274289773175
Energy: 2.355795431172274
Energy: 2.4668212112781878
Energy: 2.556496163109134
Energy: 2.2316243926129586
Energy: 2.6097578667827452
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Energy: 2.2316243926129586
Energy: 2.6097578667827452
Energy: 2.556496163176974
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Energy: 2.5564961632673895
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Energy: 2.0300254360847645
Energy: 3.046264582302121
Energy: 3.0623618287750776
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Energy: 2.53965673072699
Energy: 2.145849835953472
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Energy: 2.145849835953472
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Energy: 2.5396567307393245
Energy: 2.5205179434801854
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Energy: 2.5205179434801854
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Energy: 2.60774418432947
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Energy: 2.7773402395169633
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Energy: 2.791348430252609
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Energy: 2.570447587665854
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Energy: 2.570447587667909
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Energy: 2.594383145869512
Energy: 2.570447587665854
Energy: 2.1410815093067486
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Energy: 2.332197366014932
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Energy: 2.85372769809721
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Energy: 2.4072660098156273
Energy: 2.607530702380056
Energy: 2.737146513338641
Energy: 2.407266009817683
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Energy: 2.407266009817683
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Energy: 2.7371465133365858
Energy: 2.4072660098156273
Energy: 2.3386863475766044
Energy: 2.6783575123865515
Energy: 2.793162144467723
Energy: 2.3386863475766044
Energy: 2.6783575123865515
Energy: 2.793162144469778
Energy: 2.3386863475766044
Energy: 2.6783575123865515
Energy: 2.793162144469778
Energy: 2.3386863475766044
Energy: 2.6034922653232817
Energy: 2.2560438623238976
Energy: 2.60828463037999
Energy: 2.603492265321226
Energy: 2.2518081982407256
Energy: 2.60828463037999
Energy: 2.603492265321226
Energy: 2.256043862321842
Energy: 2.60828463037999
Energy: 2.603492265321226
Energy: 2.532829664791615
Energy: 2.3378731669071193
Energy: 2.7536783723790337
Energy: 2.5328296647936708
Energy: 2.335256494706548
Energy: 2.7536783723790337
Energy: 2.5328296647936708
Energy: 2.337873166909175
Energy: 2.7536783723770153
Energy: 2.5328296647936708
Energy: 2.4038985883544206
Energy: 2.5048499870794925
Energy: 2.1143849803361747
Energy: 2.4038985883564767
Energy: 2.5048499870794925
Energy: 2.1143849803341186
Energy: 2.4038985883564767
Energy: 2.5048499870794925
Energy: 2.1143849803341186
Energy: 2.4038985883544206
Energy: 2.2539335028336116
Energy: 2.5931163052329
Energy: 2.551119209718772
Energy: 2.2539335028336116
Energy: 2.625799097681701
Energy: 2.551119209720828
Energy: 2.253933502835667
Energy: 2.5931163052329
Energy: 2.551119209720828
Energy: 2.253933502835667
Energy: 2.5740918996891144
Energy: 2.437200256156009
Energy: 2.7195503912465355
Energy: 2.574091899237073
Energy: 2.444176880452988
Energy: 2.71955039124448
Energy: 2.574091899508283
Energy: 2.4372002561539534
Energy: 2.71955039124448
Energy: 2.5740918994076263
Energy: 2.7378473773219594
Energy: 2.114706301508741
Energy: 3.168300621969267
Energy: 2.737847377324015
Energy: 2.1136915890717183
Energy: 3.168300621969267
Energy: 2.7378473773199414
Energy: 2.114706301508741
Energy: 3.168300621969267
Energy: 2.7378473773219594

minimum gb energy = 2.022830034528085 eV
minimum distance =  2.30645348812299 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.962997926440608
Energy: 3.205594258157558
Energy: 3.159298173525599
Energy: 1.9523295694700338
Energy: 3.205594258158264
Energy: 3.159298173526304
Energy: 1.9629979264399027
Energy: 3.205594258158264
Energy: 3.159298173526304
Energy: 1.9523295694693283
Energy: 2.2728728677544012
Energy: 2.291052384528707
Energy: 3.1173038190414117
Energy: 2.2728728677551064
Energy: 2.2910523845280015
Energy: 3.1173038190414117
Energy: 2.272872867755813
Energy: 2.291052384528707
Energy: 3.117303819042823
Energy: 2.272872867756518
Energy: 2.6708034737223745
Energy: 2.6763363269017266
Energy: 2.684000138091504
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Energy: 2.6763363269010854
Energy: 2.663825200085169
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Energy: 2.790911041177829
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Energy: 2.118990784206526
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Energy: 2.118990784205821
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Energy: 3.238061171853304
Energy: 2.118990784205821
Energy: 2.7909110411785347
Energy: 2.488744459849827
Energy: 2.4707287153218633
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Energy: 2.488744459847004
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Energy: 1.8398777128491703
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Energy: 3.0132813398539495
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Energy: 2.4432610458635424
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Energy: 2.969651018703314
Energy: 2.617400374566224
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Energy: 2.9696510187040204
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Energy: 2.9696510187047256
Energy: 2.61740037432704
Energy: 2.5618845711767886
Energy: 2.9696510187040204
Energy: 3.1456316421550055
Energy: 3.0865097233679633
Energy: 2.1616055714512283
Energy: 3.145631642155711
Energy: 3.086509723366552
Energy: 2.138367655565128
Energy: 3.1456316421564168
Energy: 3.0865097233707868
Energy: 2.1616055714505227
Energy: 3.1456316421564168
Energy: 1.8627414503690984
Energy: 3.0006452318426207
Energy: 2.585914305054931
Energy: 1.78440324691427
Energy: 3.000645231843326
Energy: 2.585914305054931
Energy: 1.8627414503690984
Energy: 3.000645231843326
Energy: 2.5859143050535196
Energy: 1.7844032469135644
Energy: 2.5359850328530085
Energy: 2.262804127515142
Energy: 2.482956192123962
Energy: 2.451880857667503
Energy: 2.262804127515142
Energy: 2.5181637217068413
Energy: 2.5359850328523024
Energy: 2.262804127515848
Energy: 2.482956192125373
Energy: 2.451880857667503
Energy: 2.8088523397230207
Energy: 2.0331947550372105
Energy: 3.224955736765972
Energy: 2.808852339724432
Energy: 2.0331947550372105
Energy: 3.224955736766678
Energy: 2.808852339724432
Energy: 2.033194755037916
Energy: 3.2249557367673836
Energy: 2.80885233972655
Energy: 2.933122979538044
Energy: 2.7328838019788084
Energy: 2.4966244005525278
Energy: 2.933122979540161
Energy: 2.732883801979514
Energy: 2.4966244005525278
Energy: 2.9331229795387497
Energy: 2.7328838019802197
Energy: 2.496624400556057
Energy: 2.9331229795415723
Energy: 2.3083523270644313
Energy: 3.0443229915781815
Energy: 2.4008942464681247
Energy: 2.3083523270644313
Energy: 3.0443229915781815
Energy: 2.40089424646883
Energy: 2.3083523270630195
Energy: 3.0443229915781815
Energy: 2.4008942464681247
Energy: 2.3083523270644313
Energy: 1.9523295694700338
Energy: 3.205594258158264
Energy: 3.1592981735270103
Energy: 1.9523295694700338
Energy: 3.2055942581568524
Energy: 3.1592981735270103
Energy: 1.9523295694693283
Energy: 3.2055942581561467
Energy: 3.159298173526304
Energy: 1.9523295694686225

minimum gb energy = 1.7844032469135644 eV
minimum distance =  2.34936622213996 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.771950161584459
Energy: 2.865476372340312
Energy: 2.831594394424302
Energy: 1.680213231766133
Energy: 2.865476372340312
Energy: 2.831594394424302
Energy: 1.771950161584459
Energy: 2.865476372340312
Energy: 2.831594394424302
Energy: 1.680213231766133
Energy: 2.4488192836759164
Energy: 1.6170359283609486
Energy: 3.110583438651877
Energy: 2.4488192836786546
Energy: 1.6170359283609486
Energy: 3.110583438654615
Energy: 2.448819283681393
Energy: 1.6170359283636866
Energy: 3.110583438651877
Energy: 2.4488192836786546
Energy: 2.527523589201187
Energy: 2.0003694540314214
Energy: 2.4744348282698736
Energy: 2.502810412195985
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Energy: 2.4611374120126195
Energy: 2.5275235865243815
Energy: 2.00036945403416
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Energy: 2.5561765860973527
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Energy: 2.4895456342503763
Energy: 1.7071869299474096
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Energy: 2.489545634253114
Energy: 1.7446977038862563
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Energy: 2.4895456342503763
Energy: 1.7071869299446714
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Energy: 2.2805640626184225
Energy: 2.3051533842491096
Energy: 1.7301983081337893
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Energy: 1.774717680860565
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Energy: 2.305153384251848
Energy: 1.7301983081365273
Energy: 2.2805640626211603
Energy: 1.5098283622333968
Energy: 2.6055641560141645
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Energy: 1.8327816560916337
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Energy: 1.8327816560971104
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Energy: 2.0840053467158697
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Energy: 2.0556220158201657
Energy: 2.367384692894392
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Energy: 1.8120295874709642
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Energy: 2.1362266457775454
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Energy: 1.9303379802223166
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Energy: 2.4132667236940715
Energy: 2.176797631731573
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Energy: 2.176797631731573
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Energy: 2.4132667236968097
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Energy: 2.7623378745831726
Energy: 1.8850045575794867
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Energy: 2.7623378745831726
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Energy: 2.261998812091104
Energy: 2.5656688347658
Energy: 1.9001620708834275
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Energy: 2.5656688347575853
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Energy: 2.5656688347603236
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Energy: 2.261998812091104
Energy: 1.8327441876022388
Energy: 2.6225357388945856
Energy: 2.8112920393921783
Energy: 1.7321436483613284
Energy: 2.622535738897324
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Energy: 2.811292039394916
Energy: 1.7321436483613284
Energy: 2.419760380913232
Energy: 1.6090299489336868
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Energy: 1.6090299489336868
Energy: 2.9646294953293766
Energy: 2.4197603809159705
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Energy: 2.9646294953293766
Energy: 2.4197603809159705
Energy: 2.738145269251003
Energy: 1.9772130717955527
Energy: 2.0999742832532893
Energy: 2.738145269251003
Energy: 1.9772130718065055
Energy: 2.08787904975375
Energy: 2.738145269251003
Energy: 1.97721307181472
Energy: 2.0999742832532893
Energy: 2.738145269251003
Energy: 2.853379446563185
Energy: 2.7919694811631173
Energy: 1.6281547637137987
Energy: 2.8533794465604965
Energy: 2.7919694811631173
Energy: 1.600521552796137
Energy: 2.8533794465604965
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Energy: 2.8533794465604965
Energy: 2.0357213850149147
Energy: 2.3749428594602753
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Energy: 2.0357213850121765
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Energy: 2.240768138938583
Energy: 2.0357213850149147
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Energy: 2.4092669582877284
Energy: 1.5073705863808413
Energy: 2.5061573312556513
Energy: 2.4092669582904667
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Energy: 2.5061573312501744
Energy: 2.4092669582904667
Energy: 1.5073705863781028
Energy: 2.3002503081260315
Energy: 2.017894409768815
Energy: 2.783640398463183
Energy: 2.3002503081260315
Energy: 2.017894409768815
Energy: 2.783640398463183
Energy: 2.3002503081260315
Energy: 2.017894409771553
Energy: 2.783640398463183
Energy: 2.300250308131508
Energy: 3.2666817096509
Energy: 1.7776533756085748
Energy: 2.3610595252578346
Energy: 3.2666817096509
Energy: 1.7776533756058364
Energy: 2.3610595252578346
Energy: 3.2666817096509
Energy: 1.7776533756085748
Energy: 2.3610595252578346
Energy: 3.2666817096509
Energy: 2.828401829768679
Energy: 2.771335611056594
Energy: 1.6811979070149738
Energy: 2.828401829768679
Energy: 2.771335611056594
Energy: 1.6472126899343809
Energy: 2.8284018297713676
Energy: 2.771335611056594
Energy: 1.6811979070122358
Energy: 2.8284018297713676
Energy: 1.6637763317086383
Energy: 2.6564391275464825
Energy: 2.3587976023486674
Energy: 1.6637763317113765
Energy: 2.575477533463062
Energy: 2.3467234226772447
Energy: 1.6637763317113765
Energy: 2.6564391275492207
Energy: 2.3587976023486674
Energy: 1.6637763317086383
Energy: 1.958764435825741
Energy: 2.7518578686234094
Energy: 2.5783305997623636
Energy: 1.9587644358230025
Energy: 2.772846814955975
Energy: 2.585462702116389
Energy: 1.958764435825741
Energy: 2.7518578686234094
Energy: 2.5783305997623636
Energy: 1.958764435825741
Energy: 2.6425844399027816
Energy: 1.761874343510599
Energy: 2.546698617836873
Energy: 2.642584439900093
Energy: 1.760917004049995
Energy: 2.546698617836873
Energy: 2.6425844399027816
Energy: 1.761874343510599
Energy: 2.546698617836873
Energy: 2.642584439900093
Energy: 2.3885765185315173
Energy: 1.6504137635216365
Energy: 2.4473315046762703
Energy: 2.3885765185315173
Energy: 1.6476872479638813
Energy: 2.447331504679008
Energy: 2.3885765185315173
Energy: 1.6504137635243745
Energy: 2.4473315046762703
Energy: 2.3885765185315173
Energy: 2.6954971921310222
Energy: 2.7863401809785455
Energy: 1.5070006402022973
Energy: 2.695497192128284
Energy: 2.7863401809785455
Energy: 1.5070006402050355
Energy: 2.6954971921310222
Energy: 2.7863401809785455
Energy: 1.5070006402050355
Energy: 2.6954971921310222

minimum gb energy = 1.4443922222110215 eV
minimum distance =  2.31249242635299 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.47805059015093365
Energy: 2.055281507374574
Energy: 2.0180058654053896
Energy: 0.4234460278559607
Energy: 2.0552815073774693
Energy: 2.0179196615154096
Energy: 0.47805059015063817
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Energy: 2.0179236645405427
Energy: 0.4234460278559607
Energy: 0.5022652941582585
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Energy: 2.0378674713376617
Energy: 1.159489491256021
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Energy: 2.021569407097368
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Energy: 2.0204368985799963
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Energy: 2.0552815073771735
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Energy: 0.4234460278559607
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Energy: 1.9264221706745255
Energy: 2.0016521486705465
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Energy: 2.001652148665346
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Energy: 1.926422170432457
Energy: 2.0016521486692467
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Energy: 1.926422170109482
Energy: 1.5214707772482363
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Energy: 0.42361287388692265
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Energy: 1.7987670544045526
Energy: 1.0429513215943595
Energy: 2.043208166003805
Energy: 1.798767054404257
Energy: 1.042951321594005
Energy: 2.043208162865896
Energy: 1.798767054405203
Energy: 1.5527059675026278
Energy: 0.4236128039001308
Energy: 2.0214260278605773
Energy: 1.5527059675026278
Energy: 0.42361280389883066
Energy: 2.0214260446052137
Energy: 1.552705967503278
Energy: 0.42361280389883066
Energy: 2.0214260452235053
Energy: 1.552705967503278
Energy: 2.037867471339316
Energy: 0.7061790069077253
Energy: 2.078816355213575
Energy: 2.0378674713399665
Energy: 0.7061790069064251
Energy: 2.0788163552096743
Energy: 2.0378674713383114
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Energy: 2.0378674713367158
Energy: 1.159489496558364
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Energy: 0.47805059015093365
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Energy: 2.001652148660795
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Energy: 2.0016521486597907
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Energy: 1.9264221695015917
Energy: 1.521470777246936
Energy: 2.0330357794024576
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Energy: 1.521470777246936
Energy: 2.0330357778624615
Energy: 0.4236128738846769
Energy: 1.521470777245636
Energy: 2.033035776781545
Energy: 0.4236128738872773
Energy: 1.5214707772498912
Energy: 1.8664255378308308
Energy: 2.3499315679723147
Energy: 0.7066551886038187
Energy: 1.866425537794781
Energy: 2.3499315679723147
Energy: 0.7066551886038187
Energy: 1.8664255377957264
Energy: 2.3499315679726105
Energy: 0.7066551886041733
Energy: 1.8664255372794984
Energy: 1.7987670544039025
Energy: 1.0429513215943595
Energy: 2.0432082107414087
Energy: 1.798767054404257
Energy: 1.042951321594655
Energy: 2.0432082192430645
Energy: 1.7987670544049073
Energy: 1.0429513215943595
Energy: 2.043208216581137
Energy: 1.7987670544049073
Energy: 1.5527059675019779
Energy: 0.42361280390042627
Energy: 2.0214260690034975
Energy: 1.5527059675022732
Energy: 0.4236128038997762
Energy: 2.021426072650838
Energy: 1.5527059675029236
Energy: 0.423612803898476
Energy: 2.02142607726864
Energy: 1.5527059675026278
Energy: 2.037867471339316
Energy: 0.7061790069080798
Energy: 2.0788163552096743
Energy: 2.037867471340616
Energy: 0.7061790069061297
Energy: 2.07881635520867
Energy: 2.0378674713389615
Energy: 0.7061790069054795
Energy: 2.07881635520867
Energy: 2.037867471338016
Energy: 1.1594894970232943
Energy: 0.7177035317698149
Energy: 0.987647648005503
Energy: 1.1594894804891676
Energy: 0.7177035339677579
Energy: 0.987647648006153
Energy: 1.1594894748414513
Energy: 0.7177035257393748
Energy: 0.9876476480077486
Energy: 1.159489460839944
Energy: 0.724806035028478
Energy: 1.8726694095260108
Energy: 2.0215693564586323
Energy: 0.7248060350356289
Energy: 1.872669409652068
Energy: 2.0215693585236623
Energy: 0.724806035032083
Energy: 1.8726694096527183
Energy: 2.0215693633526834
Energy: 0.7248060350369291

minimum gb energy = 0.4234460278556061 eV
minimum distance =  2.34035366893197 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3534665435695963
Energy: 3.0588436202670635
Energy: 3.0464198232499693
Energy: 1.4137517817209255
Energy: 3.058843620268848
Energy: 3.0464198232731667
Energy: 1.35346654355889
Energy: 3.0588436202652796
Energy: 3.046419823258891
Energy: 1.4137517817209255
Energy: 2.202433625453636
Energy: 1.736596835942889
Energy: 2.7567962467825375
Energy: 2.202433625453636
Energy: 1.7365968359411046
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Energy: 1.73659683593932
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Energy: 2.202433625453636
Energy: 2.6387985364120543
Energy: 1.6627274560657812
Energy: 2.6426478836549165
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Energy: 1.6627274560675331
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Energy: 2.633344967236068
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Energy: 2.6426478836531326
Energy: 2.6258078143002237
Energy: 2.2037310667601404
Energy: 1.9621697495581905
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Energy: 2.7927096638282447
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Energy: 2.7647304205495655
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Energy: 1.8010577900203204
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Energy: 1.723912535693444
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Energy: 2.660042628448661
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Energy: 2.6600426284468766
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Energy: 1.879946862046977
Energy: 2.1219166642114704
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Energy: 1.879946862046977
Energy: 2.099328427729938
Energy: 2.4283197339801657
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Energy: 1.879946862046977
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Energy: 1.2786399677833726
Energy: 2.794025947380001
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Energy: 1.2533370715695322
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Energy: 2.682526957660161
Energy: 1.2786399653345006
Energy: 2.794025947380001
Energy: 2.68252695766373
Energy: 2.9273315870895114
Energy: 2.2570031785490423
Energy: 1.6502480504946793
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Energy: 2.2570031785490423
Energy: 1.6502480504946793
Energy: 2.9273315870895114
Energy: 2.2570031785490423
Energy: 1.6502480504946793
Energy: 2.9273315870895114
Energy: 2.4837416750068746
Energy: 2.843224900802795
Energy: 1.5680747732398461
Energy: 2.4837416750068746
Energy: 2.843224900802795
Energy: 1.5680747730793152
Energy: 2.4837416750104433
Energy: 2.8432249008045796
Energy: 1.5680747731399522
Energy: 2.4837416750086594
Energy: 2.364367567227188
Energy: 2.1207207901949556
Energy: 2.1723492991743925
Energy: 2.364367567227188
Energy: 2.120720790189603
Energy: 2.1723492991743925
Energy: 2.3643675672289723
Energy: 2.1207207901967404
Energy: 2.1723492991743925
Energy: 2.364367567227188
Energy: 1.492952990022832
Energy: 2.69284030682989
Energy: 2.5680694720761075
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Energy: 1.7987973038996632
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Energy: 2.927444416023577
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Energy: 2.450821091236618
Energy: 1.455848817508899
Energy: 2.37340463878502
Energy: 2.4508210912348334
Energy: 1.4558488175677844

minimum gb energy = 1.2290291323856979 eV
minimum distance =  2.25621425899057 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 2.2530184309927095
Energy: 2.279349360668464
Energy: 2.917497488781486
Energy: 2.2530184309927095

minimum gb energy = 1.6600069092256537 eV
minimum distance =  2.30724095287088 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 1.856276881850158 eV
minimum distance =  2.30913380744262 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.4362477324020455
Energy: 2.881589799421904
Energy: 2.353099284085122
Energy: 2.4362477324020455
Energy: 2.1224345412783165
Energy: 2.717754250898807
Energy: 2.7204219307648794
Energy: 2.1224345412783165
Energy: 2.717754251098819
Energy: 2.720421930762212
Energy: 2.1224345412783165
Energy: 2.717754251146785
Energy: 2.720421930762212
Energy: 2.1224345412783165
Energy: 2.4361394214493726
Energy: 2.3497094292377017
Energy: 2.8885402639457314
Energy: 2.4361394214493726
Energy: 2.349709429235034
Energy: 2.8885402639457314
Energy: 2.4361394214493726
Energy: 2.349709429235034
Energy: 2.8885402639457314
Energy: 2.4361394214493726
Energy: 2.3382765203778666
Energy: 2.400697964911665
Energy: 2.2324259814518435
Energy: 2.3382765203778666
Energy: 2.4006979649143325
Energy: 2.2324259814518435
Energy: 2.3382765203778666
Energy: 2.4006979649143325
Energy: 2.2324259814518435
Energy: 2.3382765203778666
Energy: 2.6627335462351094
Energy: 2.5702810659289375
Energy: 2.475137093000611
Energy: 2.6627335462351094
Energy: 2.5702810659289375
Energy: 2.475137093000611
Energy: 2.6627335462351094
Energy: 2.5702810659289375
Energy: 2.475137093000611
Energy: 2.6627335462351094
Energy: 3.0114877978857786
Energy: 2.297717092029465
Energy: 2.623811402898342
Energy: 3.0114877978857786
Energy: 2.297717092029465
Energy: 2.623811402898342
Energy: 3.0114877978831114
Energy: 2.297717092029465
Energy: 2.623811402898342
Energy: 3.0114877978831114
Energy: 2.815309132820073
Energy: 2.64296507791898
Energy: 2.2211045501466073
Energy: 2.815309125482434
Energy: 2.642965077916312
Energy: 2.2211045501466073
Energy: 2.8153091266102903
Energy: 2.64296507790831
Energy: 2.2211045501466073
Energy: 2.8153091269382444
Energy: 2.1845822839307902
Energy: 2.702751417278044
Energy: 2.6155567656785026
Energy: 2.1845822839307902
Energy: 2.702751417280711
Energy: 2.6155567656785026
Energy: 2.184582283933458
Energy: 2.702751417280711
Energy: 2.6155567656785026
Energy: 2.184582283933458
Energy: 3.112184877017906
Energy: 2.670808226876442
Energy: 2.662597792649394
Energy: 3.112184877017906
Energy: 2.670808226876442
Energy: 2.662597792649394
Energy: 3.112184877017906
Energy: 2.67080822687911
Energy: 2.662597792649394
Energy: 3.112184877017906
Energy: 2.1862902951549428
Energy: 2.6032667487168677
Energy: 2.7518101502522065
Energy: 2.1862902951549428
Energy: 2.6032667487195353
Energy: 2.751810150257541
Energy: 2.1862902951549428
Energy: 2.6032667487168677
Energy: 2.7518101502548737
Energy: 2.1862902951549428
Energy: 2.853650352752597
Energy: 2.216509366039696
Energy: 2.6653613447391304
Energy: 2.853650352752597
Energy: 2.216509366039696
Energy: 2.6653613447391304
Energy: 2.853650352752597
Energy: 2.216509366039696
Energy: 2.6653613447391304
Energy: 2.853650352752597
Energy: 2.900250995167544
Energy: 2.524851420935891
Energy: 2.294641435651459
Energy: 2.900250995167544
Energy: 2.524851420935891
Energy: 2.294641435651459
Energy: 2.900250995167544
Energy: 2.524851420935891
Energy: 2.294641435651459
Energy: 2.900250995167544
Energy: 2.6068984539696927
Energy: 2.4882701091561463
Energy: 2.4267115610326293
Energy: 2.6068984539590225
Energy: 2.4882701091561463
Energy: 2.4267115610326293
Energy: 2.6068984538497046
Energy: 2.4882701091561463
Energy: 2.4267115610326293
Energy: 2.6068984538336997

minimum gb energy = 2.122434541275649 eV
minimum distance =  2.27313016167576 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 2.2879139403397364
Energy: 2.3115183325641318
Energy: 2.299981069348601
Energy: 2.2879139403392537
Energy: 2.311518332565096
Energy: 2.299981069343297
Energy: 2.2879139403392537
Energy: 2.3115183325631676
Energy: 2.2999810693351015
Energy: 2.2879139403392537
Energy: 2.836153688406454
Energy: 2.659435693974302
Energy: 2.643622659751252
Energy: 2.836153688406454
Energy: 2.65943569397382
Energy: 2.6436226597555907
Energy: 2.836153688406454
Energy: 2.65943569397382
Energy: 2.6436226597546266
Energy: 2.8361536884069363
Energy: 2.3006899310835878
Energy: 2.699279579139459
Energy: 2.3670646872336816
Energy: 2.3006899310826237
Energy: 2.699279579146691
Energy: 2.3670646872336816
Energy: 2.3006899310792486
Energy: 2.699279579142352
Energy: 2.3670646872336816
Energy: 2.3006899310797313
Energy: 2.352616563460137
Energy: 2.693163530753191
Energy: 2.301619877359825
Energy: 2.352616563460619
Energy: 2.693163530744513
Energy: 2.301619877359825
Energy: 2.3526165634611007
Energy: 2.6931635307498163
Energy: 2.301619877359825
Energy: 2.352616563460137
Energy: 2.6500589345696706
Energy: 2.659048678043753
Energy: 2.7790462242043086
Energy: 2.650058934570153
Energy: 2.65904867803845
Energy: 2.7790462241378195
Energy: 2.6500589345715992
Energy: 2.659048678039896
Energy: 2.779046224053493
Energy: 2.650058934572081
Energy: 2.311518332560275
Energy: 2.2999810693813845
Energy: 2.2879139403392537
Energy: 2.3115183325607567
Energy: 2.29998106937126
Energy: 2.2879139403392537
Energy: 2.3115183325617212
Energy: 2.2999810693645104
Energy: 2.2879139403392537
Energy: 2.3115183325641318
Energy: 2.659435693972373
Energy: 2.643622659751252
Energy: 2.8361536884040435
Energy: 2.6594356939733372
Energy: 2.6436226597555907
Energy: 2.8361536884050076
Energy: 2.65943569397382
Energy: 2.6436226597546266
Energy: 2.8361536884054903
Energy: 2.659435693974302
Energy: 2.6992795791437985
Energy: 2.3670646872336816
Energy: 2.3006899310811773
Energy: 2.699279579142834
Energy: 2.367064687233199
Energy: 2.3006899310821414
Energy: 2.699279579143316
Energy: 2.367064687234163
Energy: 2.3006899310797313
Energy: 2.699279579139459
Energy: 2.693163530744995
Energy: 2.301619877358379
Energy: 2.3526165634611007
Energy: 2.6931635307584947
Energy: 2.3016198773588608
Energy: 2.352616563460619
Energy: 2.693163530751745
Energy: 2.3016198773593435
Energy: 2.352616563460619
Energy: 2.693163530752709
Energy: 2.6590486780423066
Energy: 2.7790462251295787
Energy: 2.6500589345691883
Energy: 2.6590486780413425
Energy: 2.7790462249643006
Energy: 2.6500589345706347
Energy: 2.659048678043753
Energy: 2.7790462250057186
Energy: 2.650058934571117
Energy: 2.659048678039896
Energy: 2.2999810693813845
Energy: 2.2879139403392537
Energy: 2.311518332557864
Energy: 2.29998106937126
Energy: 2.2879139403397364
Energy: 2.3115183325626854
Energy: 2.299981069363064
Energy: 2.2879139403392537
Energy: 2.311518332556418
Energy: 2.2999810693529397
Energy: 2.6436226597507697
Energy: 2.8361536884040435
Energy: 2.6594356939733372
Energy: 2.643622659755109
Energy: 2.8361536884040435
Energy: 2.659435693972373
Energy: 2.6436226597546266
Energy: 2.8361536884050076
Energy: 2.659435693972373
Energy: 2.6436226597560735
Energy: 2.367064687233199
Energy: 2.300689931085034
Energy: 2.6992795791380124
Energy: 2.367064687233199
Energy: 2.300689931084552
Energy: 2.6992795791447626
Energy: 2.367064687234163
Energy: 2.300689931085516
Energy: 2.699279579139941
Energy: 2.3670646872336816
Energy: 2.3016198773588608
Energy: 2.352616563460619
Energy: 2.693163530754155
Energy: 2.3016198773593435
Energy: 2.352616563460137
Energy: 2.693163530753191
Energy: 2.3016198773603076
Energy: 2.3526165634611007
Energy: 2.693163530744995
Energy: 2.301619877358379
Energy: 2.7790462248129595
Energy: 2.650058934570153
Energy: 2.6590486780442353
Energy: 2.7790462246635905
Energy: 2.6500589345706347
Energy: 2.6590486780442353
Energy: 2.7790462246028436
Energy: 2.650058934571117
Energy: 2.659048678044717
Energy: 2.779046224672707
Energy: 2.2879139403397364
Energy: 2.311518332567507
Energy: 2.299981069418464
Energy: 2.2879139403397364
Energy: 2.311518332568953
Energy: 2.2999810694050087
Energy: 2.2879139403392537
Energy: 2.311518332569917
Energy: 2.2999810693958485
Energy: 2.2879139403397364
Energy: 2.8361536884054903
Energy: 2.659435693970927
Energy: 2.6436226597546266
Energy: 2.8361536884050076
Energy: 2.65943569397382
Energy: 2.6436226597531807
Energy: 2.8361536884054903
Energy: 2.659435693972856
Energy: 2.643622659758966
Energy: 2.8361536884045258
Energy: 2.300689931086963
Energy: 2.699279579171761
Energy: 2.367064687234163
Energy: 2.3006899310859987
Energy: 2.6992795791698323
Energy: 2.367064687234163
Energy: 2.30068993108407
Energy: 2.699279579164529
Energy: 2.3670646872336816
Energy: 2.3006899310826237
Energy: 2.352616563460619
Energy: 2.6931635307512622
Energy: 2.301619877359825
Energy: 2.352616563460619
Energy: 2.693163530748852
Energy: 2.3016198773603076
Energy: 2.3526165634611007
Energy: 2.693163530759459
Energy: 2.3016198773607894
Energy: 2.352616563460619
Energy: 2.650058934570153
Energy: 2.659048678043753
Energy: 2.779046225460136
Energy: 2.650058934570153
Energy: 2.65904867804086
Energy: 2.7790462255059367
Energy: 2.650058934571117
Energy: 2.6590486780432707
Energy: 2.7790462255517383
Energy: 2.650058934571117
Energy: 2.311518332567507
Energy: 2.2999810694498017
Energy: 2.2879139403392537
Energy: 2.311518332565096
Energy: 2.299981069433892
Energy: 2.2879139403392537
Energy: 2.311518332567988
Energy: 2.299981069430999
Energy: 2.2879139403392537
Energy: 2.311518332567988
Energy: 2.6594356939718913
Energy: 2.6436226597555907
Energy: 2.836153688406454
Energy: 2.659435693972373
Energy: 2.643622659754145
Energy: 2.8361536884054903
Energy: 2.6594356939718913
Energy: 2.643622659756555
Energy: 2.8361536884050076
Energy: 2.6594356939733372

minimum gb energy = 2.2879139403392537 eV
minimum distance =  2.33951651754839 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.2215443302030744
Energy: 3.0905039534354657
Energy: 3.0743413139795983
Energy: 2.125026149156511
Energy: 3.090503953448578
Energy: 3.0743413139795983
Energy: 2.2215443302030744
Energy: 3.090503953455134
Energy: 3.0743413139774134
Energy: 2.125026149156511
Energy: 2.7219102234001364
Energy: 2.3436173790027954
Energy: 2.397623488457372
Energy: 2.721910223402322
Energy: 2.3436173790027954
Energy: 2.397623488453041
Energy: 2.721910223404507
Energy: 2.3436173790027954
Energy: 2.3976234884551872
Energy: 2.721910223404507
Energy: 2.5807494756128566
Energy: 2.4097479014229193
Energy: 2.5140314701265694
Energy: 2.580749475615042
Energy: 2.4097479014251046
Energy: 2.5140314701244235
Energy: 2.580749475615042
Energy: 2.4097479014251046
Energy: 2.5140314701222386
Energy: 2.580749475615042
Energy: 2.656115162287739
Energy: 2.5436140708293915
Energy: 2.3860345810369155
Energy: 2.656115162289925
Energy: 2.5436140708293915
Energy: 2.3860345810369155
Energy: 2.656115162289925
Energy: 2.5436140708293915
Energy: 2.3860345810391013
Energy: 2.656115162287739
Energy: 2.4672375686179797
Energy: 2.2647165268047402
Energy: 2.611722377745709
Energy: 2.467237568620165
Energy: 2.264716526806926
Energy: 2.6117223777435234
Energy: 2.467237568620165
Energy: 2.264716526806926
Energy: 2.6117223777435234
Energy: 2.4672375686179797
Energy: 2.646357737720561
Energy: 2.855041454829286
Energy: 1.982815139033759
Energy: 2.6463577377227065
Energy: 2.855041454829286
Energy: 1.9828151390359445
Energy: 2.646357737720561
Energy: 2.855041454829286
Energy: 1.9828151390381297
Energy: 2.646357737720561
Energy: 2.450768413000955
Energy: 2.545336074143259
Energy: 2.716633477050636
Energy: 2.4484903758849206
Energy: 2.545336074138888
Energy: 2.716633477052821
Energy: 2.4507684129987695
Energy: 2.545336074138888
Energy: 2.716633477050636
Energy: 2.4484903758849206
Energy: 2.327528383486799
Energy: 2.566975696182365
Energy: 2.414091687738896
Energy: 2.3275283834846134
Energy: 2.566975696182365
Energy: 2.4140916877410814
Energy: 2.3275283834846134
Energy: 2.56697569618455
Energy: 2.4140916877410814
Energy: 2.327528383486799
Energy: 2.983811978138747
Energy: 2.648261993361639
Energy: 2.5661989531158613
Energy: 2.983811978138747
Energy: 2.648103046867627
Energy: 2.560905796045232
Energy: 2.983811978138747
Energy: 2.648261993361639
Energy: 2.5661989531158613
Energy: 2.983811978138747
Energy: 2.2624453410960412
Energy: 2.496547744519826
Energy: 2.5626194156853135
Energy: 2.2619314968538164
Energy: 2.496547744519826
Energy: 2.5670876378179255
Energy: 2.2624453410960412
Energy: 2.496547744519826
Energy: 2.562619415687499
Energy: 2.261931496851631
Energy: 2.712814705342218
Energy: 2.284710158116082
Energy: 2.7904678074058737
Energy: 2.712814705340032
Energy: 2.284710158116082
Energy: 2.7904678074058737
Energy: 2.712814705340032
Energy: 2.284710158116082
Energy: 2.7904678074058737
Energy: 2.712814705342218
Energy: 2.4447357629939748
Energy: 2.326649737245868
Energy: 2.7677727668176737
Energy: 2.4447357629917894
Energy: 2.3275618421423085
Energy: 2.7677727668176737
Energy: 2.444735762989604
Energy: 2.326649737245868
Energy: 2.7677727668176737
Energy: 2.4447357629917894
Energy: 2.558556405809359
Energy: 2.393940574114687
Energy: 2.4672303895336714
Energy: 2.558556405809359
Energy: 2.393940573948674
Energy: 2.4672303895336714
Energy: 2.5585564058072126
Energy: 2.393940573963932
Energy: 2.467230389535857
Energy: 2.558556405809359
Energy: 2.5746137303851437
Energy: 2.3013544013176714
Energy: 2.8130133757877362
Energy: 2.574613730389515
Energy: 2.3013544013176714
Energy: 2.8130133757855504
Energy: 2.5746137303917003
Energy: 2.3013544013198564
Energy: 2.8130133757877362
Energy: 2.574613730396071
Energy: 2.58903221683122
Energy: 2.6480028560314866
Energy: 2.4089974866850654
Energy: 2.589032216829035
Energy: 2.6480028560314866
Energy: 2.4023658372340204
Energy: 2.58903221682685
Energy: 2.6480028560314866
Energy: 2.40899748668288
Energy: 2.5890322168202937
Energy: 2.4629675240558146
Energy: 2.8513114471705485
Energy: 2.6748780976276154
Energy: 2.462967524053629
Energy: 2.8513114471705485
Energy: 2.6748780976276154
Energy: 2.462967524053629
Energy: 2.8513114471683627
Energy: 2.6748780976276154
Energy: 2.4629675240558146
Energy: 2.3913649918630075
Energy: 2.8942587659660335
Energy: 2.8485587354638913
Energy: 2.4811430510946186
Energy: 2.8942587659660335
Energy: 2.848558735461706
Energy: 2.391364991856451
Energy: 2.8942587659660335
Energy: 2.8485587354595205
Energy: 2.4811430510946186
Energy: 2.7226411098708847
Energy: 2.223363620968621
Energy: 2.547995788894713
Energy: 2.7226411098708847
Energy: 2.2233636209708063
Energy: 2.547995788894713
Energy: 2.722641109868699
Energy: 2.2233636209729917
Energy: 2.5479957888925275
Energy: 2.722641109868699
Energy: 2.5583068192418916
Energy: 2.66181985749683
Energy: 2.6507563579462783
Energy: 2.5583068192550042
Energy: 2.6618198574990157
Energy: 2.6507563579440934
Energy: 2.5583068192440774
Energy: 2.66181985749683
Energy: 2.6507563579462783
Energy: 2.5583068192506335
Energy: 2.5950554339128376
Energy: 2.4174825578210917
Energy: 2.4165491317340506
Energy: 2.5950554339128376
Energy: 2.4174825577905357
Energy: 2.4165491317449774
Energy: 2.5950554339128376
Energy: 2.4174825578036483
Energy: 2.416549131801759
Energy: 2.5950554339150234
Energy: 2.7330320054711916
Energy: 2.2237162699996165
Energy: 2.8346995295633417
Energy: 2.7330320054711916
Energy: 2.2237162699996165
Energy: 2.8346995295633417
Energy: 2.7330320054711916
Energy: 2.2237162699974315
Energy: 2.8346995295633417
Energy: 2.7330320054711916
Energy: 2.74689419320692
Energy: 2.7689605519024205
Energy: 2.0365927800674712
Energy: 2.746894193204735
Energy: 2.768960551900235
Energy: 2.0365927800674712
Energy: 2.746894193204735
Energy: 2.7689605518980493
Energy: 2.0365927800674712
Energy: 2.74689419320692
Energy: 2.419223657320889
Energy: 2.3842379877242017
Energy: 2.8813373289793076
Energy: 2.4211549872943485
Energy: 2.388223708953404
Energy: 2.8813373289793076
Energy: 2.4192236573187036
Energy: 2.3842379877242017
Energy: 2.8813373289793076
Energy: 2.4211549872943485
Energy: 2.496148369882407
Energy: 2.7303705837741363
Energy: 2.3838308632055756
Energy: 2.496148369884592
Energy: 2.7303705837741363
Energy: 2.3838308632055756
Energy: 2.496148369884592
Energy: 2.7303705837741363
Energy: 2.3838308632033907
Energy: 2.496148369882407
Energy: 2.587861347277924
Energy: 2.5504869711878033
Energy: 2.621406130446686
Energy: 2.587861347277924
Energy: 2.5504869711878033
Energy: 2.6214061304488707
Energy: 2.587861347275738
Energy: 2.550486971185618
Energy: 2.6214061304488707
Energy: 2.587861347277924
Energy: 2.216276424257994
Energy: 2.596115690429146
Energy: 2.345415520549423
Energy: 2.2176138229212112
Energy: 2.596115690429146
Energy: 2.345621646881156
Energy: 2.216276424257994
Energy: 2.596115690429146
Energy: 2.345415520549423
Energy: 2.2176138229212112
Energy: 2.937731171888659
Energy: 2.064046011811581
Energy: 3.1089626149124365
Energy: 2.937731171886474
Energy: 2.064046011811581
Energy: 3.108962614927735
Energy: 2.937731171886474
Energy: 2.064046011811581
Energy: 3.1089626149321057
Energy: 2.937731171888659
Energy: 2.4120652289540487
Energy: 2.689848248499327
Energy: 2.6199786313068882
Energy: 2.4120652289540487
Energy: 2.6898482484971415
Energy: 2.6199786313068882
Energy: 2.4120652289540487
Energy: 2.6898482484971415
Energy: 2.6199786313068882
Energy: 2.4120652289540487
Energy: 2.445743882238887
Energy: 2.4255694177490374
Energy: 2.6310702104621337
Energy: 2.505720117521018
Energy: 2.41641974782363
Energy: 2.6310702104621337
Energy: 2.445743882238887
Energy: 2.4255694177468525
Energy: 2.6310702104621337
Energy: 2.505720117518832
Energy: 2.5512450918953484
Energy: 2.365218384352465
Energy: 2.655977684582272
Energy: 2.5512450918953484
Energy: 2.365218384352465
Energy: 2.6559776845844567
Energy: 2.551245091893163
Energy: 2.365218384352465
Energy: 2.655977684582272
Energy: 2.551245091897534
Energy: 2.7500701205026465
Energy: 2.572244685632568
Energy: 2.1549215371237516
Energy: 2.7500701205048323
Energy: 2.572244685630383
Energy: 2.1509038500219333
Energy: 2.7500701205026465
Energy: 2.572244685632568
Energy: 2.1549215371237516
Energy: 2.750070120500461
Energy: 2.1590221171713395
Energy: 2.775009639890384
Energy: 2.813657730528942
Energy: 2.159022117169154
Energy: 2.77500963989253
Energy: 2.8136577305267565
Energy: 2.159022117169154
Energy: 2.775009639890384
Energy: 2.8136577305267565
Energy: 2.159022117169154
Energy: 2.5623201348021727
Energy: 2.490130050097963
Energy: 2.591509489223036
Energy: 2.5201252403553527
Energy: 2.490130050093592
Energy: 2.5915094892208503
Energy: 2.562320134795616
Energy: 2.4901300500914063
Energy: 2.5915094892208503
Energy: 2.5201252403553527
Energy: 2.645022640861264
Energy: 2.381216712152504
Energy: 2.4428478014269275
Energy: 2.586899650209721
Energy: 2.3812167121568746
Energy: 2.478688673705226
Energy: 2.6450226408590787
Energy: 2.381216712185285
Energy: 2.4428478014291133
Energy: 2.586899650209721
Energy: 2.1427551137740735
Energy: 2.9115303669805823
Energy: 2.9007044161016284
Energy: 2.1427551137740735
Energy: 2.9115303669783974
Energy: 2.9007044161016284
Energy: 2.142755113776259
Energy: 2.9115303669762116
Energy: 2.9007044161016284
Energy: 2.142755113776259
Energy: 2.641295739333091
Energy: 2.2685262645113977
Energy: 2.555939391553926
Energy: 2.641295739333091
Energy: 2.2685262645113977
Energy: 2.555939391553926
Energy: 2.641295739333091
Energy: 2.2685262645092124
Energy: 2.555939391556112
Energy: 2.641295739333091
Energy: 2.824130683901394
Energy: 2.65049180564583
Energy: 2.3566174434402463
Energy: 2.824130683901394
Energy: 2.650491805648016
Energy: 2.4071708477525875
Energy: 2.82413068390358
Energy: 2.650491805648016
Energy: 2.356617443442431
Energy: 2.824130683901394
Energy: 2.6208272181565917
Energy: 2.591643207486097
Energy: 2.397853533681793
Energy: 2.6208272181565917
Energy: 2.5916432074882434
Energy: 2.3978535336839784
Energy: 2.6208272181565917
Energy: 2.5916432074882434
Energy: 2.397853533681793
Energy: 2.6208272181500356
Energy: 2.4047236397233753
Energy: 2.493056775880454
Energy: 2.8235193995948196
Energy: 2.4047236397233753
Energy: 2.493056775873897
Energy: 2.8235193995926346
Energy: 2.404723639727746
Energy: 2.4930567758782685
Energy: 2.823519399590449
Energy: 2.4047236397255602
Energy: 2.588164388918026
Energy: 2.574697999940112
Energy: 2.0964591820010843
Energy: 2.5881643889158408
Energy: 2.574697999940112
Energy: 2.0964591820010843
Energy: 2.588164388918026
Energy: 2.5746979999379267
Energy: 2.09645918200327
Energy: 2.588164388918026
Energy: 2.324686187934837
Energy: 2.5409133687413687
Energy: 2.7104265281487496
Energy: 2.3246861879326515
Energy: 2.5409133687413687
Energy: 2.7104265281487496
Energy: 2.324686187934837
Energy: 2.5409133687413687
Energy: 2.710426528150935
Energy: 2.324686187934837
Energy: 2.5743006333307767
Energy: 2.687014009584979
Energy: 2.5504940498827806
Energy: 2.574300633332962
Energy: 2.686084247383951
Energy: 2.552119407208484
Energy: 2.574300633332962
Energy: 2.687014009587165
Energy: 2.550494049880595
Energy: 2.5743006333307767
Energy: 2.6530429005300022
Energy: 2.223679585028949
Energy: 2.782880570152162
Energy: 2.653042900527817
Energy: 2.2236795850311344
Energy: 2.7828805701477908
Energy: 2.653042900527817
Energy: 2.2236795850333197
Energy: 2.782880570152162
Energy: 2.6530429005300022
Energy: 2.32307808753947
Energy: 3.0875645672079646
Energy: 2.585942760724668
Energy: 2.32307808753947
Energy: 3.0875645672079646
Energy: 2.585942760724668
Energy: 2.32307808753947
Energy: 3.087564567205779
Energy: 2.585942760722482
Energy: 2.32307808753947
Energy: 2.7395994371537187
Energy: 2.2135551251434307
Energy: 2.7259223870651397
Energy: 2.7395994371537187
Energy: 2.2631044007916348
Energy: 2.7259223870651397
Energy: 2.7395994371537187
Energy: 2.2135551251390595
Energy: 2.725922387062954
Energy: 2.7395994371537187
Energy: 2.7741330737984966
Energy: 2.6315958329463363
Energy: 2.6660315302327455
Energy: 2.7741330737963112
Energy: 2.6315958329485216
Energy: 2.6660315302305597
Energy: 2.7741330737963112
Energy: 2.6315958329485216
Energy: 2.6660315302283744
Energy: 2.7741330737963112
Energy: 2.707018360352607
Energy: 2.5487032567366863
Energy: 2.3840036899377113
Energy: 2.707018360354792
Energy: 2.5487032567366863
Energy: 2.3712606971221715
Energy: 2.707018360352607
Energy: 2.5487032567366863
Energy: 2.384003689939897
Energy: 2.707018360352607
Energy: 2.2977568993411963
Energy: 2.564934731222441
Energy: 2.65894348053049
Energy: 2.2977568993411963
Energy: 2.564934731222441
Energy: 2.65894348053049
Energy: 2.2977568993411963
Energy: 2.564934731222441
Energy: 2.65894348053049
Energy: 2.2977568993411963
Energy: 2.7577878242328047
Energy: 2.4758671255692914
Energy: 2.445291767999691
Energy: 2.752287141401306
Energy: 2.4758671255692914
Energy: 2.445291767997506
Energy: 2.7577878242349896
Energy: 2.4758671255714773
Energy: 2.445291767997506
Energy: 2.752287141403492

minimum gb energy = 1.982815139033759 eV
minimum distance =  2.2858324687494 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.3809119754515464
Energy: 2.8449881538859785
Energy: 2.82692940693613
Energy: 2.3809119754515464
Energy: 2.8449881538867747
Energy: 2.826929406936926
Energy: 2.3809119754515464
Energy: 2.8449881538859785
Energy: 2.826929406936926
Energy: 2.3809119754507497
Energy: 2.8609351452168914
Energy: 2.1402874721773495
Energy: 2.66474524017348
Energy: 2.860935145217688
Energy: 2.1402874721773495
Energy: 2.6647452401742036
Energy: 2.860935145217688
Energy: 2.1402874721773495
Energy: 2.66474524017348
Energy: 2.8609351452168914
Energy: 2.586720872013657
Energy: 2.212369938599351
Energy: 2.3630070899098308
Energy: 2.586720872012861
Energy: 2.2123699386001476
Energy: 2.347506196972727
Energy: 2.596348631063196
Energy: 2.2123699386001476
Energy: 2.3655436130220373
Energy: 2.434819406662283
Energy: 2.4975508205822567
Energy: 2.6688536023324105
Energy: 2.3536367539904264
Energy: 2.4975508205814605
Energy: 2.6688536023324105
Energy: 2.353636753984057
Energy: 2.4975508205822567
Energy: 2.6688536023324105
Energy: 2.353636753984853
Energy: 2.4975508205822567
Energy: 2.8919209106292985
Energy: 2.2361890970483236
Energy: 2.6353133797608344
Energy: 2.8919209106292985
Energy: 2.2361890970483236
Energy: 2.6353133797608344
Energy: 2.8919209106292985
Energy: 2.2361890970483236
Energy: 2.6353133797608344
Energy: 2.8919209106292985
Energy: 2.77132321456984
Energy: 2.720730349349664
Energy: 2.2342379471828284
Energy: 2.77132321456984
Energy: 2.720730349349664
Energy: 2.2342379471828284
Energy: 2.7713232145706357
Energy: 2.720730349349664
Energy: 2.2342379471836247
Energy: 2.7713232145706357
Energy: 2.530989982081967
Energy: 2.434656643159914
Energy: 2.2438669337416606
Energy: 2.530989982081967
Energy: 2.4346566431591175
Energy: 2.2438669337416606
Energy: 2.530989982081967
Energy: 2.434656643159914
Energy: 2.2438669337416606
Energy: 2.530989982081967
Energy: 2.3459794388130915
Energy: 2.7496515866432003
Energy: 2.4617292309577583
Energy: 2.3459794388154074
Energy: 2.749651586642404
Energy: 2.4617292309577583
Energy: 2.3459794388099064
Energy: 2.749651586642404
Energy: 2.4617292309577583
Energy: 2.345979438808314
Energy: 2.9153746678702968
Energy: 2.7493970303067945
Energy: 2.2565341763928766
Energy: 2.9153746678702968
Energy: 2.7493970303067945
Energy: 2.2565341763936724
Energy: 2.9153746678702968
Energy: 2.7493970303067945
Energy: 2.2565341763928766
Energy: 2.9153746678702968
Energy: 2.182114940859609
Energy: 2.6312744294586357
Energy: 2.6601549897400627
Energy: 2.1821149408627942
Energy: 2.631274429457839
Energy: 2.6601549897408585
Energy: 2.182114940864387
Energy: 2.631274429457839
Energy: 2.6601549897400627
Energy: 2.182114940865979
Energy: 2.301339340476133
Energy: 2.322614324980123
Energy: 2.5917183510374837
Energy: 2.301339340475337
Energy: 2.3226143249753455
Energy: 2.591718351043058
Energy: 2.3013393404777256
Energy: 2.3226143249737534
Energy: 2.591718351039873
Energy: 2.3013393404769293
Energy: 2.567199671964409
Energy: 2.090721040989411
Energy: 2.667711671687285
Energy: 2.5671996719636128
Energy: 2.090721040989411
Energy: 2.667711671687285
Energy: 2.5671996719636128
Energy: 2.090721040989411
Energy: 2.667711671687285
Energy: 2.5671996719636128
Energy: 2.377391593382644
Energy: 3.0540908468584895
Energy: 2.2335293523979254
Energy: 2.377391593382644
Energy: 3.0540908468584895
Energy: 2.233529352398722
Energy: 2.377391593381848
Energy: 3.0540908468584895
Energy: 2.2335293523979254
Energy: 2.377391593382644
Energy: 2.83658978640479
Energy: 2.0939059605997445
Energy: 2.468287252050364
Energy: 2.8365897864055856
Energy: 2.0939059605997445
Energy: 2.4682872520495676
Energy: 2.8365897864055856
Energy: 2.0939059606005412
Energy: 2.468287252050364
Energy: 2.8365897864055856

minimum gb energy = 2.090721040989411 eV
minimum distance =  2.25809683241733 Angstroms
sigma value = 33