Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334740105136
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013296430140505936
Energy: 0.013566654376852906
Energy: 0.4530461009055889
Energy: 0.013566654376852906
Energy: 0.013296430140505936
Energy: 0.013566654376852906
Energy: 0.013566654376852906
Energy: 2.8791959886045304
Energy: 0.013566654376852906
Energy: 2.8791959886045304
Energy: 0.013566654376852906
Energy: 2.8791959886045304
Energy: 0.4530461009055889
Energy: 0.013566654376852906
Energy: 0.013296430140505936
Energy: 0.013566654376852906
Energy: 0.4530461009055889
Energy: 0.013566654376852906
Energy: 0.013566654376852906
Energy: 2.8791959886050345
Energy: 0.013566654376852906
Energy: 2.8791959886050345
Energy: 0.013566654376852906
Energy: 2.8791959886045304
Energy: 0.013296430140505936
Energy: 0.013566654376852906
Energy: 0.4530461009055889
Energy: 0.013566654376852906
Energy: 0.013296430140505936
Energy: 0.013566654376852906
Energy: 0.013566654376852906
Energy: 2.8791959886045304
Energy: 0.013566654376852906
Energy: 2.8791959886045304
Energy: 0.013566654376852906
Energy: 2.9154103017026993

minimum gb energy = 0.013296430140505936 eV
minimum distance =  2.22118653039842 Angstroms
sigma value = 1


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

Energy: 1.0583633962470396
Energy: 1.1943714681027933
Energy: 1.0320664611922512
Energy: 1.1943714681040072
Energy: 1.0583633962482535
Energy: 1.1943714681027933
Energy: 1.0631447529068117
Energy: 1.0258290410587791
Energy: 1.066217289948831
Energy: 1.0258290398796237
Energy: 1.0631447529068117
Energy: 1.0258290411837343
Energy: 0.9664973168985319
Energy: 1.146144840681527
Energy: 1.0617191153745007
Energy: 1.146144840681527
Energy: 0.9664973168973182
Energy: 1.146144840681527
Energy: 1.0827770331431488
Energy: 1.0715293275148636
Energy: 1.0148239937320505
Energy: 1.0715293275148636
Energy: 1.0827770331431488
Energy: 1.071529327516077
Energy: 1.086994021543891
Energy: 1.1945933341072963
Energy: 1.1012533249044605
Energy: 1.1945933341072963
Energy: 1.086994021543891
Energy: 1.1945933341072963
Energy: 1.0630863475757408
Energy: 1.1459688390424578
Energy: 0.9808515381775814
Energy: 1.1459688390424578
Energy: 1.0630863475745271
Energy: 1.1459688390424578
Energy: 1.0683448643721054
Energy: 1.1463182550711617
Energy: 0.9667081624683083
Energy: 1.1463182550711617
Energy: 1.0683448643721054
Energy: 1.1463182550711617
Energy: 1.0873378698015115
Energy: 1.1944136731344863
Energy: 0.9470992117771512
Energy: 1.1944136731332722
Energy: 1.0873378698015115
Energy: 1.1944136731332722
Energy: 1.0857028316484496
Energy: 1.0739738315679714
Energy: 1.0242898889134524
Energy: 1.0739738315679714
Energy: 1.0857028316484496
Energy: 1.0739738315679714
Energy: 1.0634668724825442
Energy: 1.1461998895107406
Energy: 0.9790159503163199
Energy: 1.1461998895107406
Energy: 1.0634668724825442
Energy: 1.1461998895107406
Energy: 1.078876069112123
Energy: 1.0686419900841837
Energy: 1.0636133182262026
Energy: 1.0686419900841837
Energy: 1.078876069112123
Energy: 1.0686419900829702
Energy: 0.948968117757385
Energy: 1.1946390567171612
Energy: 0.9490046954061303
Energy: 1.1946390567171612
Energy: 0.948968117757385
Energy: 1.1946390567171612
Energy: 1.0637950083256151
Energy: 1.0686419900853974
Energy: 1.027411552482678
Energy: 1.0686419900841837
Energy: 1.0637950083256151
Energy: 1.0686419900841837
Energy: 0.9792010402696362
Energy: 1.1457680165205917
Energy: 1.0630729395484808
Energy: 1.1457680165205917
Energy: 0.9792010402696362
Energy: 1.1457680165205917
Energy: 1.0242664512606292
Energy: 1.0739944073829468
Energy: 1.0849756447221854
Energy: 1.0739944073829468
Energy: 1.0242664512594155
Energy: 1.0739944073829468
Energy: 0.947229365154148
Energy: 1.1946781012208423
Energy: 1.0873894830847641
Energy: 1.1946781012220562
Energy: 0.947229365154148
Energy: 1.1946781012220562
Energy: 0.9666850328092514
Energy: 1.1462255325964266
Energy: 1.0688842229745488
Energy: 1.1462255325964266
Energy: 0.9666850328092514
Energy: 1.1462255325964266
Energy: 0.9808698673659764
Energy: 1.1461868645398934
Energy: 1.0630047980556916
Energy: 1.1461868645398934
Energy: 0.9808698673647627
Energy: 1.1461868645398934
Energy: 1.1033687068424969
Energy: 1.194671029268479
Energy: 1.086843509324217
Energy: 1.194671029268479
Energy: 1.1033687068424969
Energy: 1.194671029268479
Energy: 1.0149805514803782
Energy: 1.0714869968721183
Energy: 1.0828997276790857
Energy: 1.0714869968733323
Energy: 1.0149805514791648
Energy: 1.0714869968721183
Energy: 1.060233133951016
Energy: 1.145653303374053
Energy: 0.9665057063497956
Energy: 1.145653303374053
Energy: 1.0602331339485886
Energy: 1.145653303374053
Energy: 1.0660363342964958
Energy: 1.0254983114164806
Energy: 1.0631830168369267
Energy: 1.0254983114152671
Energy: 1.0660363342964958
Energy: 1.0254983114152671
Energy: 1.0320664611922512
Energy: 1.1943714681040072
Energy: 1.058363396245826
Energy: 1.1943714681040072
Energy: 1.0320664611922512
Energy: 1.1943714681027933

minimum gb energy = 0.9470992117771512 eV
minimum distance =  2.3075077830822 Angstroms
sigma value = 33


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

Energy: 1.5256410987650102
Energy: 1.2657508829044835
Energy: 1.0685316777829028
Energy: 1.2657508829037931
Energy: 1.5256410987650102
Energy: 1.2657508829037931
Energy: 1.103424306020134
Energy: 1.2227457403747204
Energy: 1.2164540030780113
Energy: 1.2227457403754107
Energy: 1.103424306020134
Energy: 1.2227457403754107
Energy: 1.0145415391513122
Energy: 1.269294222633099
Energy: 1.2495024391045024
Energy: 1.269294222633099
Energy: 1.0145415391506216
Energy: 1.2692942226324089
Energy: 1.1077884819068662
Energy: 1.153385781415464
Energy: 1.2173367930796073
Energy: 1.153385781416154
Energy: 1.107788481906176
Energy: 1.153385781416154
Energy: 1.1086251296216656
Energy: 1.230621510596575
Energy: 1.2152226120573373
Energy: 1.2306215105958846
Energy: 1.1086251296223562
Energy: 1.230621510596575
Energy: 1.1192675202349789
Energy: 1.2310031121077203
Energy: 1.031854178338109
Energy: 1.2310031121077203
Energy: 1.1192675202342888
Energy: 1.2310031121077203
Energy: 1.119740137125687
Energy: 1.2306609227293452
Energy: 1.1786710447517903
Energy: 1.2306609227293452
Energy: 1.119740137125687
Energy: 1.2306609227293452
Energy: 1.0321406292666113
Energy: 1.230874312679465
Energy: 1.1063088740974685
Energy: 1.2308743126787747
Energy: 1.0321406292673017
Energy: 1.2308743126787747
Energy: 1.135414792811904
Energy: 1.153806453459508
Energy: 1.2082769754388851
Energy: 1.1538064534588177
Energy: 1.135414792811904
Energy: 1.1538064534588177
Energy: 1.0627101842195115
Energy: 1.2702469651009634
Energy: 1.0736807353358173
Energy: 1.2702469651009634
Energy: 1.0627101842195115
Energy: 1.2702469651009634
Energy: 1.0983913154510763
Energy: 1.1616657512131663
Energy: 1.2172640729510382
Energy: 1.1616657512117856
Energy: 1.0983913154503857
Energy: 1.1616657512131663
Energy: 1.236467660473268
Energy: 1.2317899966735533
Energy: 1.095922379354863
Energy: 1.2317899966735533
Energy: 1.236467660473268
Energy: 1.2317899966735533
Energy: 1.2140018173781406
Energy: 1.170743859351117
Energy: 1.1278946806472636
Energy: 1.1707438593518074
Energy: 1.2140018173788312
Energy: 1.170743859351117
Energy: 1.1479038223416225
Energy: 1.2671114386332445
Energy: 1.0646630183056793
Energy: 1.2671114386332445
Energy: 1.1479038223416225
Energy: 1.2671114386332445
Energy: 1.200904647278023
Energy: 1.242943528111776
Energy: 1.181440808870612
Energy: 1.2429435281124661
Energy: 1.200904647278023
Energy: 1.2429435281124661
Energy: 1.2016796323640835
Energy: 1.2306469418652546
Energy: 1.1101476586582946
Energy: 1.2306469418652546
Energy: 1.2016796323633934
Energy: 1.2306469418652546
Energy: 1.2143732728153085
Energy: 1.2316844806611977
Energy: 1.0733589376907782
Energy: 1.231684480661888
Energy: 1.2143732728159986
Energy: 1.2316844806611977
Energy: 1.2141029019112364
Energy: 1.2045417508724343
Energy: 1.1831016319645093
Energy: 1.2045417508717438
Energy: 1.214102901911927
Energy: 1.2045417508717438
Energy: 1.0318449670146388
Energy: 1.2306418791274163
Energy: 1.1063681820011348
Energy: 1.2306418791274163
Energy: 1.0318449670146388
Energy: 1.2306418791267257
Energy: 1.1110806463821599
Energy: 1.2867189084255974
Energy: 1.2037766121711462
Energy: 1.2867189084255974
Energy: 1.1110806463814697
Energy: 1.2867189084255974
Energy: 1.2300469990152298
Energy: 1.268326885431492
Energy: 1.0482658216582228
Energy: 1.2683268854321823
Energy: 1.2300469990145395
Energy: 1.2683268854321823
Energy: 1.0672663637125572
Energy: 1.1285485309440713
Energy: 1.2177871612408409
Energy: 1.1285485309447618
Energy: 1.0672663637125572
Energy: 1.1285485309440713
Energy: 1.0730513222189921
Energy: 1.2316356104955062
Energy: 1.2155017409177074
Energy: 1.2316356104961965
Energy: 1.0730513222189921
Energy: 1.2316356104961965
Energy: 1.21388878872819
Energy: 1.2047846475454322
Energy: 1.2193345806830416
Energy: 1.2047846475454322
Energy: 1.21388878872888
Energy: 1.2047846475454322
Energy: 1.147905346355757
Energy: 1.2317414271139986
Energy: 1.2292081935297736
Energy: 1.231741427114689
Energy: 1.147905346355757
Energy: 1.2317414271139986
Energy: 1.122343718234495
Energy: 1.2072108524231309
Energy: 1.0837901743317158
Energy: 1.2072108524231309
Energy: 1.1223437182351856
Energy: 1.2072108524231309
Energy: 1.1221416305395153
Energy: 1.2071809907516564
Energy: 1.0596447893924388
Energy: 1.2071809907516564
Energy: 1.1221416305402057
Energy: 1.2071809907516564
Energy: 1.1476850960465323
Energy: 1.231464157929177
Energy: 1.2497743535659454
Energy: 1.231464157929177
Energy: 1.1476850960465323
Energy: 1.231464157929177
Energy: 1.2136426810333405
Energy: 1.2048533467603277
Energy: 1.2192900188443585
Energy: 1.2048533467603277
Energy: 1.2136426810333405
Energy: 1.2048533467603277
Energy: 1.0726375160060573
Energy: 1.2316920898045538
Energy: 1.1459884145545463
Energy: 1.2316920898045538
Energy: 1.0726375160060573
Energy: 1.2316920898045538
Energy: 1.0650363812931565
Energy: 1.1285485309447618
Energy: 1.2177562635849706
Energy: 1.128548530943381
Energy: 1.0650363812924661
Energy: 1.128548530943381
Energy: 1.2299660262186156
Energy: 1.269377117900659
Energy: 1.0481905783659489
Energy: 1.2693771179013493
Energy: 1.229966026219306
Energy: 1.2693771179013493
Energy: 1.1111806750716344
Energy: 1.2867974873037573
Energy: 1.2033000125830606
Energy: 1.2867974873037573
Energy: 1.1111806750716344
Energy: 1.2867974873037573
Energy: 1.0318438293464385
Energy: 1.2308705473594876
Energy: 1.0635680256040485
Energy: 1.230870547360178
Energy: 1.0318438293457481
Energy: 1.230870547360178
Energy: 1.2143260819309512
Energy: 1.2054713764205631
Energy: 1.2414196567856435
Energy: 1.2054713764198726
Energy: 1.2143260819309512
Energy: 1.2054713764205631
Energy: 1.214394113036534
Energy: 1.2314141037889843
Energy: 1.073362398178809
Energy: 1.231414103788294
Energy: 1.214394113036534
Energy: 1.231414103788294
Energy: 1.201839333459385
Energy: 1.2303316063012135
Energy: 1.0559199258420857
Energy: 1.2303316063012135
Energy: 1.201839333459385
Energy: 1.2303316063012135
Energy: 1.2009467953244661
Energy: 1.2429167398046947
Energy: 1.1814582817925627
Energy: 1.2429167398046947
Energy: 1.2009467953237756
Energy: 1.2429167398046947
Energy: 1.1478938389686166
Energy: 1.266885039674196
Energy: 1.0646272419481837
Energy: 1.2668850396748863
Energy: 1.1478938389686166
Energy: 1.2668850396748863
Energy: 1.2139235678654978
Energy: 1.1699288076118435
Energy: 1.1279171061482198
Energy: 1.169928807611153
Energy: 1.2139235678661882
Energy: 1.169928807611153
Energy: 1.236467307132418
Energy: 1.2317184688440503
Energy: 1.0566993586481044
Energy: 1.2317184688440503
Energy: 1.2364673071317276
Energy: 1.2317184688440503

minimum gb energy = 1.0145415391506216 eV
minimum distance =  2.28149074704338 Angstroms
sigma value = 51


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

Energy: 1.4284729841194999
Energy: 1.2927924349210842
Energy: 1.1897457127641227
Energy: 1.2927924349210842
Energy: 1.4284729841194999
Energy: 1.2927924349210842
Energy: 1.095015660229078
Energy: 1.2411991130246522
Energy: 1.4586139530159812
Energy: 1.2411991130246522
Energy: 1.095015660229078
Energy: 1.2411991130246522
Energy: 1.049904130479148
Energy: 1.2928210505241473
Energy: 1.5183343663670932
Energy: 1.292821050522548
Energy: 1.0499041304807475
Energy: 1.2928210505241473
Energy: 1.0630025311018947
Energy: 1.2047544539434818
Energy: 1.457476530288489
Energy: 1.2047544539418822
Energy: 1.0630025311018947
Energy: 1.2047544539418822
Energy: 1.050019139423591
Energy: 1.2092337602011465
Energy: 1.5184606091816648
Energy: 1.209233760202746
Energy: 1.050019139423591
Energy: 1.209233760202746
Energy: 1.4088706872357362
Energy: 1.2045193044446325
Energy: 1.4603185783895678
Energy: 1.2045193044446325
Energy: 1.4088706872357362
Energy: 1.2045193044446325
Energy: 1.4098533733553376
Energy: 1.2104182574977105
Energy: 1.4574256891769684
Energy: 1.210418257496111
Energy: 1.4098533733553376
Energy: 1.210418257496111
Energy: 1.062412261545973
Energy: 1.2075398960925654
Energy: 1.0239341175625971
Energy: 1.2075398960925654
Energy: 1.0624122615443734
Energy: 1.2075398960925654
Energy: 1.4100182102232377
Energy: 1.1982200575092075
Energy: 1.0272538897341614
Energy: 1.1982200575092075
Energy: 1.4100182102232377
Energy: 1.1982200575092075
Energy: 1.0574649616646936
Energy: 1.289470971241312
Energy: 1.023315519325093
Energy: 1.2894709712429115
Energy: 1.0574649616646936
Energy: 1.2894709712429115
Energy: 1.4098793930192137
Energy: 1.1262588557616053
Energy: 1.4592953717449353
Energy: 1.1262588557616053
Energy: 1.4098793930192137
Energy: 1.1262588557616053
Energy: 1.432823255123881
Energy: 1.2889425634935896
Energy: 1.4592541492614752
Energy: 1.2889425634951894
Energy: 1.432823255123881
Energy: 1.2889425634951894
Energy: 1.2350902121161402
Energy: 1.2416347565044659
Energy: 1.4597815948197377
Energy: 1.2416347565044659
Energy: 1.2350902121161402
Energy: 1.2416347565044659
Energy: 1.0576341092457677
Energy: 1.2897839361634145
Energy: 1.4580621265206775
Energy: 1.2897839361634145
Energy: 1.0576341092473673
Energy: 1.2897839361634145
Energy: 1.0656094195757058
Energy: 1.2866715947898806
Energy: 1.4590686709072733
Energy: 1.2866715947898806
Energy: 1.0656094195757058
Energy: 1.2866715947898806
Energy: 1.0503430742739168
Energy: 1.2088932063867792
Energy: 1.4576305864706927
Energy: 1.2088932063867792
Energy: 1.0503430742739168
Energy: 1.2088932063867792
Energy: 1.4463148912772454
Energy: 1.2803794703534188
Energy: 1.458521574392518
Energy: 1.2803794703534188
Energy: 1.4463148912772454
Energy: 1.2803794703534188
Energy: 1.4088219328201557
Energy: 1.2101234652308963
Energy: 1.457835082133475
Energy: 1.2101234652324957
Energy: 1.4088219328201557
Energy: 1.2101234652324957

minimum gb energy = 1.023315519325093 eV
minimum distance =  2.2789531588953 Angstroms
sigma value = 19


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

Energy: 1.4610257506366473
Energy: 1.3406594856150125
Energy: 1.2286570076679428
Energy: 1.3406594856150125
Energy: 1.4610257506366473
Energy: 1.3406594856150125
Energy: 1.1769984504878324
Energy: 1.321850604082201
Energy: 1.2563425394766217
Energy: 1.321850604082201
Energy: 1.1769984504878324
Energy: 1.321850604082201
Energy: 1.2247527956731283
Energy: 1.330683739915332
Energy: 1.2106767805806173
Energy: 1.3306837399143832
Energy: 1.2247527956731283
Energy: 1.3306837399143832
Energy: 1.2495981839330712
Energy: 1.2948736327034283
Energy: 1.2992582035046276
Energy: 1.2948736327034283
Energy: 1.2495981839330712
Energy: 1.2948736327034283
Energy: 1.239296139742874
Energy: 1.3423316069313471
Energy: 1.2991547744979415
Energy: 1.3423316069313471
Energy: 1.2392961397419249
Energy: 1.3423316069313471
Energy: 1.2991538599027004
Energy: 1.3509525320613833
Energy: 1.2402657045590706
Energy: 1.3509525320613833
Energy: 1.2991538599027004
Energy: 1.3509525320604343
Energy: 1.2995849182812058
Energy: 1.2951057740506886
Energy: 1.2496167152400866
Energy: 1.2951057740506886
Energy: 1.299584918280257
Energy: 1.2951057740506886
Energy: 1.2113979913100492
Energy: 1.3428122314354378
Energy: 1.224838603950751
Energy: 1.3428122314354378
Energy: 1.2113979913100492
Energy: 1.3428122314354378
Energy: 1.2788343401101467
Energy: 1.3343141270850127
Energy: 1.1728733771153415
Energy: 1.3343141270850127
Energy: 1.2788343401110955
Energy: 1.3343141270850127
Energy: 1.2720802743117101
Energy: 1.3126180441754765
Energy: 1.3832195415489579
Energy: 1.3126180441764255
Energy: 1.2720802743117101
Energy: 1.3126180441764255
Energy: 1.2563425394766217
Energy: 1.321850604082201
Energy: 1.2132214218134223
Energy: 1.321850604082201
Energy: 1.2563425394766217
Energy: 1.321850604081252
Energy: 1.2106767805806173
Energy: 1.330683739915332
Energy: 1.224900079199438
Energy: 1.3306837399143832
Energy: 1.2106767805806173
Energy: 1.3306837399143832
Energy: 1.2915703636256224
Energy: 1.2948103847811243
Energy: 1.2495981839330712
Energy: 1.2948103847811243
Energy: 1.2915703636246736
Energy: 1.2948103847811243
Energy: 1.2991180021669428
Energy: 1.3425337426523072
Energy: 1.2392961397419249
Energy: 1.3425337426523072
Energy: 1.2991180021678919
Energy: 1.3425337426523072
Energy: 1.234114752771016
Energy: 1.3509525320613833
Energy: 1.3425549857078263
Energy: 1.3509525320613833
Energy: 1.234114752771016
Energy: 1.3509525320613833
Energy: 1.2543631250732954
Energy: 1.2951057740506886
Energy: 1.299584918280257
Energy: 1.2951057740506886
Energy: 1.2543631250732954
Energy: 1.2951057740506886
Energy: 1.224838603950751
Energy: 1.3428122314354378
Energy: 1.2119854165229793
Energy: 1.3428122314354378
Energy: 1.224838603950751
Energy: 1.3428122314354378
Energy: 1.1962832903471394
Energy: 1.3329654934103772
Energy: 1.2789125827370835
Energy: 1.3329654934094284
Energy: 1.1962832903471394
Energy: 1.3329654934094284
Energy: 1.4610257506366473
Energy: 1.3406594856150125
Energy: 1.2500922785522992
Energy: 1.3406594856150125
Energy: 1.4610257506366473
Energy: 1.3406594856150125
Energy: 1.1769984504878324
Energy: 1.321850604082201
Energy: 1.2563425394766217
Energy: 1.321850604082201
Energy: 1.1769984504878324
Energy: 1.321850604082201
Energy: 1.2247527956731283
Energy: 1.330683739915332
Energy: 1.2106767805806173
Energy: 1.3306837399143832
Energy: 1.2247527956731283
Energy: 1.330683739915332
Energy: 1.2495981839330712
Energy: 1.2948736327034283
Energy: 1.2992582035046276
Energy: 1.2948736327034283
Energy: 1.2495981839330712
Energy: 1.2948736327034283
Energy: 1.239296139742874
Energy: 1.3423316069313471
Energy: 1.299154774496993
Energy: 1.3423316069313471
Energy: 1.2392961397419249
Energy: 1.3423316069313471
Energy: 1.2639196488870028
Energy: 1.3509525320613833
Energy: 1.2402657045581216
Energy: 1.3509525320604343
Energy: 1.2639196488870028
Energy: 1.3509525320613833
Energy: 1.299584918280257
Energy: 1.2951057740506886
Energy: 1.215290757518049
Energy: 1.2951057740506886
Energy: 1.299584918280257
Energy: 1.2951057740506886
Energy: 1.2113979913100492
Energy: 1.3428122314354378
Energy: 1.224838603950751
Energy: 1.3428122314354378
Energy: 1.2113979913100492
Energy: 1.3428122314354378
Energy: 1.2788343401101467
Energy: 1.3343141270859615
Energy: 1.1728733771153415
Energy: 1.3343141270850127
Energy: 1.2788343401101467
Energy: 1.3343141270859615
Energy: 1.2720802743117101
Energy: 1.3126180441764255
Energy: 1.383219541548009
Energy: 1.3126180441764255
Energy: 1.2720802743117101
Energy: 1.3126180441764255
Energy: 1.2563425394766217
Energy: 1.321850604082201
Energy: 1.2132214218143709
Energy: 1.321850604081252
Energy: 1.2563425394766217
Energy: 1.321850604082201
Energy: 1.2106767805806173
Energy: 1.330683739915332
Energy: 1.224900079199438
Energy: 1.330683739915332
Energy: 1.2106767805806173
Energy: 1.3306837399143832

minimum gb energy = 1.1728733771153415 eV
minimum distance =  2.2706085667402 Angstroms
sigma value = 27


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

Energy: 1.2526968464909056
Energy: 1.219430998040732
Energy: 1.439617523371233
Energy: 1.2194309980409697
Energy: 1.2526968464909056
Energy: 1.219430998040732
Energy: 1.2507586739026346
Energy: 1.219624350792342
Energy: 1.2872432092070871
Energy: 1.2196243507921307
Energy: 1.2507586739026346
Energy: 1.219624350792342
Energy: 1.2789861044530877
Energy: 1.4111387252798548
Energy: 1.288751449678843
Energy: 1.4111387252789305
Energy: 1.27898610445285
Energy: 1.4111387252793794
Energy: 1.2644131412885415
Energy: 1.2211579959107735
Energy: 1.2867800852755764
Energy: 1.221157995911011
Energy: 1.2644131412885415
Energy: 1.2211579959112489
Energy: 1.2876064442523698
Energy: 1.2188134179564798
Energy: 1.2874682614206767
Energy: 1.2188134179564798
Energy: 1.2876064442523698
Energy: 1.2188134179562422
Energy: 1.2847474530981002
Energy: 1.410429322566306
Energy: 1.2840093271661626
Energy: 1.410429322565857
Energy: 1.2847474530981002
Energy: 1.410429322566306
Energy: 1.2901763387777716
Energy: 1.289072470176994
Energy: 1.2838243327971222
Energy: 1.2890724701767826
Energy: 1.2901763387780092
Energy: 1.2890724701760694
Energy: 1.2647088015963892
Energy: 1.2215222148431941
Energy: 1.2879071156001307
Energy: 1.2215222148431941
Energy: 1.2647088015959138
Energy: 1.2215222148434322
Energy: 1.2878742888857984
Energy: 1.219655093720118
Energy: 1.2873425414879882
Energy: 1.219655093720118
Energy: 1.2878742888857984
Energy: 1.219655093719669
Energy: 1.2843093234143987
Energy: 1.4764670390400834
Energy: 1.2843782543109923
Energy: 1.4764670390400834
Energy: 1.2843093234143987
Energy: 1.4764670390400834
Energy: 1.28723988132986
Energy: 1.2195116404508404
Energy: 1.2878943523580748
Energy: 1.2195116404508404
Energy: 1.2872398813296226
Energy: 1.2195116404506028
Energy: 1.2883143438290083
Energy: 1.221818483130435
Energy: 1.2636010977693934
Energy: 1.2218184831306724
Energy: 1.288314343829695
Energy: 1.2218184831306724

minimum gb energy = 1.2188134179562422 eV
minimum distance =  2.27926082614575 Angstroms
sigma value = 9


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

Energy: 1.3301086676672682
Energy: 1.3614026243000377
Energy: 1.2604209477311843
Energy: 1.3614026243006905
Energy: 1.3301086676672682
Energy: 1.3614026243000377
Energy: 1.2057551004740363
Energy: 1.334610711420272
Energy: 1.1904474914432344
Energy: 1.334610711419619
Energy: 1.2057551004740363
Energy: 1.334610711419619
Energy: 1.172264965089652
Energy: 1.3874062775719929
Energy: 1.1678544283318648
Energy: 1.387406277572646
Energy: 1.172264965089652
Energy: 1.3874062775719929
Energy: 1.1861793382144874
Energy: 1.3524801196397513
Energy: 1.1934922114011237
Energy: 1.3524801196404042
Energy: 1.1861793382151407
Energy: 1.352480119639098
Energy: 1.239321487677398
Energy: 1.3662823384424851
Energy: 1.1936124056466502
Energy: 1.3662823384418321
Energy: 1.239321487677398
Energy: 1.3662823384418321
Energy: 1.2189162178754238
Energy: 1.357575080482475
Energy: 1.177028492374148
Energy: 1.3575750804831284
Energy: 1.2189162178754238
Energy: 1.3575750804837812
Energy: 1.2044505361077933
Energy: 1.3392925778070315
Energy: 1.1814687971665905
Energy: 1.3392925778063787
Energy: 1.2044505361064872
Energy: 1.3392925778063787
Energy: 1.2285203684506654
Energy: 1.3358237916063185
Energy: 1.1882263123816683
Energy: 1.3358237916063185
Energy: 1.2285203684500126
Energy: 1.3358237916063185
Energy: 1.2047336068142327
Energy: 1.3890846400335883
Energy: 1.1926684990054248
Energy: 1.3890846400335883
Energy: 1.2047336068148857
Energy: 1.3890846400329353
Energy: 1.2174726066898103
Energy: 1.349350205587828
Energy: 1.2496788841841862
Energy: 1.349350205587175
Energy: 1.2174726066898103
Energy: 1.349350205586522
Energy: 1.2090127229664134
Energy: 1.3606182935876068
Energy: 1.170865065500238
Energy: 1.3606182935876068
Energy: 1.2090127229664134
Energy: 1.3606182935882596
Energy: 1.1881319592523432
Energy: 1.3654025078694902
Energy: 1.1507143847550803
Energy: 1.3654025078694902
Energy: 1.1881319592523432
Energy: 1.3654025078694902
Energy: 1.1930932667905758
Energy: 1.3798100854084436
Energy: 1.1984653555049265
Energy: 1.3798100854077908
Energy: 1.1930932667899228
Energy: 1.3798100854077908
Energy: 1.2616881102139932
Energy: 1.3855336370565707
Energy: 1.2083662925362924
Energy: 1.3855336370559175
Energy: 1.2616881102146464
Energy: 1.3855336370559175
Energy: 1.187746398410398
Energy: 1.4027962351291974
Energy: 1.1708893516273409
Energy: 1.4027962351285446
Energy: 1.187746398410398
Energy: 1.4027962351291974
Energy: 1.1674018826540646
Energy: 1.3482694251794185
Energy: 1.149732905629097
Energy: 1.3482694251794185
Energy: 1.1674018826553705
Energy: 1.3482694251794185
Energy: 1.2236953257324867
Energy: 1.3504220831115172
Energy: 1.2182727511051976
Energy: 1.3504220831115172
Energy: 1.2236953257324867
Energy: 1.3504220831115172
Energy: 1.180776008257469
Energy: 1.4258267052925713
Energy: 1.1701245936213465
Energy: 1.4258267052925713
Energy: 1.180776008256816
Energy: 1.4258267052925713
Energy: 1.1779323700906381
Energy: 1.3853657714085315
Energy: 1.1940663283296236
Energy: 1.3853657714078786
Energy: 1.177932370089985
Energy: 1.3853657714085315
Energy: 1.1855163982165242
Energy: 1.461647563141605
Energy: 1.1855359960072418
Energy: 1.4616475631402992
Energy: 1.1855163982158712
Energy: 1.4616475631402992
Energy: 1.1939010424510565
Energy: 1.3851925723352223
Energy: 1.17714383135096
Energy: 1.3851925723352223
Energy: 1.1939010424504035
Energy: 1.3851925723352223
Energy: 1.1704411552562812
Energy: 1.4255120481445203
Energy: 1.1810814169386052
Energy: 1.4255120481445203
Energy: 1.1704411552569345
Energy: 1.4255120481445203
Energy: 1.2184514590396098
Energy: 1.3500916108299068
Energy: 1.2069686205463737
Energy: 1.350091610829254
Energy: 1.2184514590396098
Energy: 1.350091610829254
Energy: 1.1500271582710426
Energy: 1.3482578966814767
Energy: 1.1674418126327104
Energy: 1.3482578966821295
Energy: 1.1500271582690835
Energy: 1.3482578966821295
Energy: 1.170804406817413
Energy: 1.402884568914732
Energy: 1.1876117976706164
Energy: 1.402884568914732
Energy: 1.170804406817413
Energy: 1.402884568914732
Energy: 1.1967444043925481
Energy: 1.3852961290120036
Energy: 1.2617341356233618
Energy: 1.3852961290113506
Energy: 1.1967444043918953
Energy: 1.3852961290120036
Energy: 1.1981704129055415
Energy: 1.3791291110079744
Energy: 1.1931240062315278
Energy: 1.3791291110079744
Energy: 1.1981704129055415
Energy: 1.3791291110079744
Energy: 1.1500520985910263
Energy: 1.36549455984086
Energy: 1.1881135386808928
Energy: 1.36549455984086
Energy: 1.1500520985910263
Energy: 1.36549455984086
Energy: 1.170878254610047
Energy: 1.3606859451255215
Energy: 1.2370841763993372
Energy: 1.3606859451261746
Energy: 1.170878254610047
Energy: 1.3606859451261746
Energy: 1.2494831837174618
Energy: 1.3495305813628973
Energy: 1.2166688626200521
Energy: 1.3495305813628973
Energy: 1.2494831837181148
Energy: 1.3495305813628973
Energy: 1.183028367910544
Energy: 1.3890846400335883
Energy: 1.20423451285995
Energy: 1.3890846400329353
Energy: 1.183028367910544
Energy: 1.3890846400329353
Energy: 1.1881450896686252
Energy: 1.3361258250337655
Energy: 1.2286496895170433
Energy: 1.3361258250337655
Energy: 1.1881450896699313
Energy: 1.3361258250331125
Energy: 1.1812971294132364
Energy: 1.339329458432312
Energy: 1.3692542440593503
Energy: 1.339329458432312
Energy: 1.1812971294132364
Energy: 1.3393294584329651
Energy: 1.1771107496856157
Energy: 1.3449631479389126
Energy: 1.218910557815473
Energy: 1.3449631479389126
Energy: 1.1771107496856157
Energy: 1.3449631479389126
Energy: 1.1937188807099712
Energy: 1.3664310079020012
Energy: 1.2394996396321163
Energy: 1.3664310079013484
Energy: 1.1937188807099712
Energy: 1.3664310079013484
Energy: 1.1939420928991245
Energy: 1.3526446917037016
Energy: 1.1862986725064029
Energy: 1.3526446917037016
Energy: 1.1939420928997775
Energy: 1.3526446917037016
Energy: 1.1669934663773796
Energy: 1.387122433325345
Energy: 1.1722433414015716
Energy: 1.387122433325345
Energy: 1.1669934663773796
Energy: 1.387122433325345
Energy: 1.1904888515437893
Energy: 1.334610711419619
Energy: 1.198735614303665
Energy: 1.334610711419619
Energy: 1.1904888515437893
Energy: 1.334610711419619
Energy: 1.2425213944270912
Energy: 1.3614026243000377
Energy: 1.3301086676672682
Energy: 1.3614026243000377
Energy: 1.242521394427744
Energy: 1.3614026243000377
Energy: 1.1904474914438576
Energy: 1.3702017869336462
Energy: 1.2057551004746894
Energy: 1.3702017869336462
Energy: 1.1904474914438576
Energy: 1.3702017869329932
Energy: 1.1678544283325176
Energy: 1.387406277572646
Energy: 1.172264965089652
Energy: 1.387406277572646
Energy: 1.1678544283325176
Energy: 1.387406277572646
Energy: 1.1934922113991648
Energy: 1.3524801196397513
Energy: 1.1861793382151407
Energy: 1.3524801196404042
Energy: 1.193492211400471
Energy: 1.3524801196404042
Energy: 1.193612405648609
Energy: 1.3662823384411793
Energy: 1.239321487678051
Energy: 1.3662823384418321
Energy: 1.193612405647956
Energy: 1.3662823384418321

minimum gb energy = 1.149732905629097 eV
minimum distance =  2.25945114495685 Angstroms
sigma value = 57


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

Energy: 1.0790148315079782
Energy: 1.0794738121231715
Energy: 1.1447022886708567
Energy: 1.079473812124658
Energy: 1.0790148315079782
Energy: 1.0794738121231715
Energy: 0.9793175419941568
Energy: 1.309872751120067
Energy: 1.0071327998234476
Energy: 1.309872751120067
Energy: 0.9793175419941568
Energy: 1.309872751120067
Energy: 0.9718727252088042
Energy: 1.2718838697771728
Energy: 1.0416495120824434
Energy: 1.2718838697771728
Energy: 0.9718727252088042
Energy: 1.2718838697771728
Energy: 1.0070587427601023
Energy: 1.0068220630291371
Energy: 1.006912194066701
Energy: 1.0068220630291371
Energy: 1.007058742761589
Energy: 1.0068220630291371
Energy: 1.0076946350105078
Energy: 1.0786708134595082
Energy: 1.0068703521516191
Energy: 1.0786708134595082
Energy: 1.0076946350105078
Energy: 1.0786708134609948
Energy: 1.0062167963018451
Energy: 1.0065500363649993
Energy: 0.9704086683963129
Energy: 1.0065500362000694
Energy: 1.0062167963018451
Energy: 1.0065500364021607
Energy: 1.0061567576267463
Energy: 1.0063816913250028
Energy: 0.9729278662073256
Energy: 1.0063816906712297
Energy: 1.0061567576267463
Energy: 1.006381691338347
Energy: 1.0075475182163303
Energy: 1.0784320934404243
Energy: 1.0068561317092037
Energy: 1.0784320934418772
Energy: 1.0075475182163303
Energy: 1.0784320934418772
Energy: 1.0072147440664647
Energy: 1.0067853651083942
Energy: 1.0073108002170832
Energy: 1.006785365106908
Energy: 1.0072147440664647
Energy: 1.0067853651083942
Energy: 0.9718966657679695
Energy: 1.2714817227962274
Energy: 1.0416310742822847
Energy: 1.2714817227962274
Energy: 0.9718966657679695
Energy: 1.2714817227962274
Energy: 0.9791119105028806
Energy: 1.309872751120067
Energy: 1.0067261474873594
Energy: 1.309872751120067
Energy: 0.9791119105028806
Energy: 1.309872751120067
Energy: 1.0790148315079782
Energy: 1.079473812124658
Energy: 1.1425002604589238
Energy: 1.0794738121231715
Energy: 1.0790148315079782
Energy: 1.079473812124658
Energy: 0.9793175419941568
Energy: 1.309872751120067
Energy: 1.0071327998219612
Energy: 1.309872751120067
Energy: 0.9793175419941568
Energy: 1.309872751120067
Energy: 0.9718727252088042
Energy: 1.2718838697771728
Energy: 1.0416495120824434
Energy: 1.2718838697771728
Energy: 0.9718727252088042
Energy: 1.2718838697771728
Energy: 1.007058742761589
Energy: 1.0068220630291371
Energy: 1.0504824974590572
Energy: 1.0068220630291371
Energy: 1.0070587427601023
Energy: 1.0068220630291371
Energy: 1.0076946350105078
Energy: 1.0786708134595082
Energy: 1.0068703521516191
Energy: 1.0786708134595082
Energy: 1.0076946350105078
Energy: 1.0786708134609948
Energy: 1.0062167963033315
Energy: 1.006550036367972
Energy: 0.9704086683977993
Energy: 1.0065500364273967
Energy: 1.0062167963018451
Energy: 1.00655003626544
Energy: 1.0061567576267463
Energy: 1.0063816911303438
Energy: 0.9729278662058392
Energy: 1.0063816909802787
Energy: 1.0061567576267463
Energy: 1.0063816912908141
Energy: 1.0075475182163303
Energy: 1.0784320934418772
Energy: 1.0499622572750418
Energy: 1.0784320934404243
Energy: 1.0075475182163303
Energy: 1.0784320934418772

minimum gb energy = 0.9704086683963129 eV
minimum distance =  2.27493548100948 Angstroms
sigma value = 11


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

Energy: 0.9294880381075667
Energy: 1.3300146009812548
Energy: 1.0246948772462787
Energy: 1.3300146009823437
Energy: 0.9294880381086558
Energy: 1.3300146009823437
Energy: 0.9007149164051584
Energy: 1.1061318341793933
Energy: 0.8923580857801287
Energy: 1.1061318341783046
Energy: 0.9007149164051584
Energy: 1.1061318341804822
Energy: 0.9389535778475012
Energy: 0.939849516604069
Energy: 0.9603219298672795
Energy: 0.939849516604069
Energy: 0.9389535778485902
Energy: 0.939849516604069
Energy: 0.904915262800677
Energy: 0.9192551428952748
Energy: 0.8924580343143224
Energy: 0.9192551428963638
Energy: 0.9049152628017659
Energy: 0.9192551428963638
Energy: 0.892950678211928
Energy: 1.3165680245093216
Energy: 0.9282857745260883
Energy: 1.3165680245093216
Energy: 0.892950678211928
Energy: 1.3165680245093216
Energy: 0.918355816141136
Energy: 1.2754023941663586
Energy: 0.8920191239330284
Energy: 1.2754023941663586
Energy: 0.918355816141136
Energy: 1.2754023941674475
Energy: 0.9203809674782172
Energy: 0.9402950894429043
Energy: 0.899496814394478
Energy: 0.9402950894429043
Energy: 0.9203809674793061
Energy: 0.9402950894429043
Energy: 0.9255172332133901
Energy: 1.3149457714595156
Energy: 0.8974344370764041
Energy: 1.3149457714584265
Energy: 0.9255172332133901
Energy: 1.3149457714584265
Energy: 0.9246708034755046
Energy: 1.3184622177806724
Energy: 0.8923922887787573
Energy: 1.3184622177806724
Energy: 0.9246708034755046
Energy: 1.3184622177806724
Energy: 0.9186679146237191
Energy: 0.9437156691540836
Energy: 0.9029006703267471
Energy: 0.9437156691551724
Energy: 0.9186679146237191
Energy: 0.9437156691551724
Energy: 0.9197193641714447
Energy: 1.2768998230375634
Energy: 0.899327950381716
Energy: 1.2768998230375634
Energy: 0.9197193641714447
Energy: 1.2768998230375634
Energy: 0.8930991914575819
Energy: 1.29863807681548
Energy: 0.8928282323544927
Energy: 1.2986380768165686
Energy: 0.8930991914575819
Energy: 1.29863807681548
Energy: 0.9232608103014157
Energy: 0.9186237223130373
Energy: 0.9285814478995208
Energy: 0.9186237223065042
Energy: 0.9232608103035934
Energy: 0.9186237223108595
Energy: 0.9396117148010992
Energy: 0.9420603461553518
Energy: 0.9210276550218628
Energy: 0.9420603461553518
Energy: 0.9396117148000103
Energy: 0.9420603461553518
Energy: 0.8997241099629437
Energy: 0.9879625953620361
Energy: 0.9001114984670199
Energy: 0.9879625956439032
Energy: 0.8997241099629437
Energy: 0.9879625953163039
Energy: 0.9303386002596408
Energy: 1.298905288563225
Energy: 0.9320448843982919
Energy: 1.298905288564314
Energy: 0.9303386002596408
Energy: 1.298905288563225
Energy: 0.9054628829783073
Energy: 1.1062163614396372
Energy: 0.9290009943309723
Energy: 1.1062163614396372
Energy: 0.9054628829793961
Energy: 1.1062163614396372
Energy: 0.9402449329147076
Energy: 0.942710773092874
Energy: 0.9371580057871828
Energy: 0.942710773092874
Energy: 0.9402449329147076
Energy: 0.9427107730950516
Energy: 0.9056508087371987
Energy: 0.9191842311179422
Energy: 0.8994410376821821
Energy: 0.9191842311179422
Energy: 0.9056508087393765
Energy: 0.9191842311168534
Energy: 0.8926143700045471
Energy: 1.3033562932655074
Energy: 0.9226506769539934
Energy: 1.3033562932655074
Energy: 0.8926143700045471
Energy: 1.3033562932665963
Energy: 0.9790730370104961
Energy: 1.2721207138839938
Energy: 0.892166827980571
Energy: 1.2721207138850827
Energy: 0.9790730370094071
Energy: 1.2721207138850827
Energy: 0.9190418448569683
Energy: 0.9402995190074928
Energy: 0.8972924661703959
Energy: 0.9402995190074928
Energy: 0.9190418448569683
Energy: 0.9402995190107594
Energy: 0.9270225925410357
Energy: 1.297857468880275
Energy: 0.9414436011352444
Energy: 1.297857468880275
Energy: 0.9270225925410357
Energy: 1.297857468880275
Energy: 0.892891734695622
Energy: 1.3081822154982456
Energy: 0.8926854931690933
Energy: 1.3081822154982456
Energy: 0.892891734695622
Energy: 1.3081822154982456
Energy: 0.9196119005074161
Energy: 0.9443860057766431
Energy: 0.8925162775608627
Energy: 0.9443860057788209
Energy: 0.9196119005063274
Energy: 0.9443860057766431
Energy: 0.9184456331589381
Energy: 1.296991921276224
Energy: 0.8969183168844879
Energy: 1.296991921276224
Energy: 0.9184456331589381
Energy: 1.296991921276224

minimum gb energy = 0.8920191239330284 eV
minimum distance =  2.30713513647984 Angstroms
sigma value = 41


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

Energy: 1.3471815653006072
Energy: 1.222450026418141
Energy: 0.9274062240185311
Energy: 1.2224500264189602
Energy: 1.3471815653006072
Energy: 1.222450026418141
Energy: 0.8125619509725541
Energy: 1.019111606642965
Energy: 0.8120995989599873
Energy: 1.019111606642965
Energy: 0.8125619509862856
Energy: 1.0191116066438237
Energy: 0.8241452734020196
Energy: 1.1565154115248237
Energy: 0.8903967564677404
Energy: 1.1565154115248237
Energy: 0.8241452734020196
Energy: 1.1565154115248237
Energy: 0.8304632149761105
Energy: 0.8490693418101386
Energy: 0.8112968378877718
Energy: 0.8490693418109969
Energy: 0.8304632149769687
Energy: 0.8490693418101386
Energy: 0.8415117885204919
Energy: 0.8419817890533092
Energy: 0.8492684011482643
Energy: 0.8419817890524509
Energy: 0.8415117885204919
Energy: 0.8419817890524509
Energy: 0.8488713574352177
Energy: 1.1348429783616611
Energy: 0.8115540208448624
Energy: 1.1348429783616611
Energy: 0.8488713574343595
Energy: 1.1348429783616611
Energy: 0.8117335333611365
Energy: 1.1563996239951704
Energy: 0.8154925921297365
Energy: 1.1563996239951704
Energy: 0.8117335333611365
Energy: 1.1563996239951704
Energy: 0.9176386271459244
Energy: 1.1550054347156262
Energy: 0.8028810217056517
Energy: 1.155005434714768
Energy: 0.9176386271450662
Energy: 1.1550054347156262
Energy: 0.854830504833755
Energy: 0.842211224267394
Energy: 0.9354388364023294
Energy: 0.842211224267394
Energy: 0.854830504833755
Energy: 0.842211224267394
Energy: 0.9644356742681153
Energy: 1.1538450043618218
Energy: 0.8056832385968488
Energy: 1.1538450043618218
Energy: 0.9644356742681153
Energy: 1.15384500436268
Energy: 0.8649297089028272
Energy: 1.1574802359589846
Energy: 0.9307234149561704
Energy: 1.1574802359589846
Energy: 0.8649297089028272
Energy: 1.1574802359589846
Energy: 0.8495254009633809
Energy: 1.155582830588704
Energy: 0.8027603237459986
Energy: 1.155582830588704
Energy: 0.8495254009633809
Energy: 1.155582830588704
Energy: 0.8491054504661221
Energy: 1.142646557366361
Energy: 1.0428150423711668
Energy: 1.1426465573672189
Energy: 0.8491054504661221
Energy: 1.142646557366361
Energy: 0.8114163524658866
Energy: 1.1542881609189004
Energy: 0.8116566893981743
Energy: 1.1542881609189004
Energy: 0.8114163524650284
Energy: 1.1542881609189004
Energy: 0.8494837811001064
Energy: 1.1367838579784089
Energy: 0.8150442971079235
Energy: 1.1367838579784089
Energy: 0.8494837811009646
Energy: 1.136783857979267
Energy: 0.8432744577602277
Energy: 1.1554859358719434
Energy: 0.8118931169969482
Energy: 1.1554859358719434
Energy: 0.8432744577593696
Energy: 1.1554859358719434
Energy: 0.8115474183876648
Energy: 1.1394905829564836
Energy: 0.8499790220448765
Energy: 1.1394905829564836
Energy: 0.8115474183885231
Energy: 1.1394905829564836
Energy: 0.8260942215367508
Energy: 1.1545472107878267
Energy: 0.8490253792896328
Energy: 1.1545472107878267
Energy: 0.8260942215367508
Energy: 1.1545472107878267
Energy: 0.8126829257653347
Energy: 0.918565740014037
Energy: 0.8151712157467192
Energy: 0.9185657400131787
Energy: 0.8126829291940751
Energy: 0.918565740014037
Energy: 1.337340805211364
Energy: 1.155684434904201
Energy: 0.9648116733674531
Energy: 1.1556844349050595
Energy: 1.337340805211364
Energy: 1.1556844349050595
Energy: 0.8342907617254964
Energy: 0.9180484888886552
Energy: 0.8499397706508757
Energy: 0.9180484888877971
Energy: 0.834290761698931
Energy: 0.9180484888869389
Energy: 0.8258934000482163
Energy: 1.1543811034768505
Energy: 0.8505018613135749
Energy: 1.1543811034768505
Energy: 0.8258934000482163
Energy: 1.1543811034768505
Energy: 0.9580535754024059
Energy: 0.8490301513202326
Energy: 0.814881801750638
Energy: 0.8490301513202326
Energy: 0.9580535754032642
Energy: 0.8490301513193744
Energy: 0.8433187433987935
Energy: 1.1363258328694104
Energy: 0.850278357922191
Energy: 1.1363258328694104
Energy: 0.8433187433987935
Energy: 1.1363258328694104
Energy: 0.8491173672479292
Energy: 1.1334967763911605
Energy: 0.8487158348594874
Energy: 1.1334967763911605
Energy: 0.8491173672479292
Energy: 1.1334967763903023
Energy: 0.8113881087258182
Energy: 0.8497317964547553
Energy: 0.8121691783305679
Energy: 0.8497317964556135
Energy: 0.8113881087258182
Energy: 0.8497317964547553
Energy: 0.9182508878268829
Energy: 1.1534217297002094
Energy: 0.821138341565486
Energy: 1.1534217297002094
Energy: 0.9182508878268829
Energy: 1.1534217297002094
Energy: 0.8497379967921972
Energy: 1.1419185632907196
Energy: 0.9349870360745962
Energy: 1.1419185632907196
Energy: 0.8497379967921972
Energy: 1.1419185632915776
Energy: 0.8496925127592471
Energy: 1.1536533617244704
Energy: 1.0528768301437168
Energy: 1.1536533617244704
Energy: 0.8496925127592471
Energy: 1.1536533617244704
Energy: 0.8118562475924469
Energy: 1.0433110063380515
Energy: 0.8220276718385778
Energy: 1.0433110063380515
Energy: 0.8118562475924469
Energy: 1.0433110063389095
Energy: 0.854693836496136
Energy: 1.1534683766966556
Energy: 0.8227446172355523
Energy: 1.1534683766966556
Energy: 0.854693836496136
Energy: 1.1534683766975136
Energy: 0.8496802388052536
Energy: 1.1582912139671993
Energy: 0.8128492100925443
Energy: 1.158291213966341
Energy: 0.8496802388052536
Energy: 1.158291213966341
Energy: 0.8152173037017905
Energy: 1.1533295733536844
Energy: 0.8489846103446028
Energy: 1.1533295733536844
Energy: 0.8152173037017905
Energy: 1.1533295733536844

minimum gb energy = 0.8027603237459986 eV
minimum distance =  2.30861021434052 Angstroms
sigma value = 33


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

Energy: 1.0846617040533233
Energy: 0.9994158516828613
Energy: 0.8097742813655295
Energy: 0.9994158516822591
Energy: 1.0846617040533233
Energy: 0.9994158516828613
Energy: 1.6159066323100775
Energy: 0.7862232466044947
Energy: 0.7290307801746677
Energy: 0.7862232466044947
Energy: 1.6159066323094753
Energy: 0.7862232466044947
Energy: 1.0761704444156481
Energy: 1.042225445876152
Energy: 0.7943431650085623
Energy: 1.0422254458755498
Energy: 1.0761704444156481
Energy: 1.0422254458755498
Energy: 1.472904776807864
Energy: 0.751212598495687
Energy: 0.7291795594960698
Energy: 0.7512125984962894
Energy: 1.472904776807864
Energy: 0.751212598495687
Energy: 0.728848145355436
Energy: 0.9857131455411149
Energy: 0.7419502904620007
Energy: 0.9857131455411149
Energy: 0.728848145355436
Energy: 0.9857131455405126
Energy: 0.7216305691887213
Energy: 0.9777126004023557
Energy: 0.7290750791182232
Energy: 0.9777126004011512
Energy: 0.721630463320744
Energy: 0.9777126004011512
Energy: 0.7276954997245857
Energy: 0.9803268542393764
Energy: 0.7222508005445126
Energy: 0.9803268542393764
Energy: 0.7276954997239833
Energy: 0.9803268542393764
Energy: 0.9530846550648926
Energy: 0.9788910616624531
Energy: 0.7221939431781669
Energy: 0.9788910616630555
Energy: 0.9530846550648926
Energy: 0.9788910616636578
Energy: 0.7142412793004459
Energy: 0.9858235704777013
Energy: 0.8919432390791655
Energy: 0.9858235704777013
Energy: 0.7142412793004459
Energy: 0.9858235704770991
Energy: 0.899457547928716
Energy: 0.9843986672340375
Energy: 0.8919206635625915
Energy: 0.9843986672334352
Energy: 0.899457547928716
Energy: 0.9843986672334352
Energy: 0.7209339831155083
Energy: 0.9806046153222465
Energy: 0.8914287900177159
Energy: 0.9806046153228488
Energy: 0.7209339831155083
Energy: 0.9806046153228488
Energy: 0.788235077947468
Energy: 0.997480324236736
Energy: 0.8979038738292956
Energy: 0.9974803242373383
Energy: 0.7882350778342905
Energy: 0.9974803242373383
Energy: 0.8869022273306265
Energy: 0.9858239471187795
Energy: 1.1927357922946473
Energy: 0.9858239471193817
Energy: 0.8869022273300242
Energy: 0.9858239471193817
Energy: 0.9002502941424715
Energy: 0.9960046185446831
Energy: 1.202869216109993
Energy: 0.9960046185452854
Energy: 0.9002502941424715
Energy: 0.9960046185452854
Energy: 0.9008096976727166
Energy: 0.9831268944047541
Energy: 1.2032498651254084
Energy: 0.9831268944041518
Energy: 0.9008096976733189
Energy: 0.9831268944041518
Energy: 0.8933644586272402
Energy: 0.9988563918752619
Energy: 0.8958111572052745
Energy: 0.9988563918752619
Energy: 0.8933644586272402
Energy: 0.9988563918752619
Energy: 0.8871057862819952
Energy: 0.9873021089341922
Energy: 1.1933065048204596
Energy: 0.9873021089341922
Energy: 0.8871057862844043
Energy: 0.9873021089341922
Energy: 0.7217549067746538
Energy: 0.9958794811407262
Energy: 0.8909083759435369
Energy: 0.9958794811401237
Energy: 0.7217549067746538
Energy: 0.9958794811407262
Energy: 0.9006378836569155
Energy: 0.9854093914443873
Energy: 0.8849148294999243
Energy: 0.9854093914449896
Energy: 0.9006378836563133
Energy: 0.9854093914443873
Energy: 0.715336756639428
Energy: 0.9980993904252311
Energy: 0.7225602996076477
Energy: 0.9980993904246287
Energy: 0.715336756639428
Energy: 0.9980993904240265
Energy: 0.8871693387697986
Energy: 0.9873127410648208
Energy: 0.8851841220324652
Energy: 0.987312741065423
Energy: 0.8871693387697986
Energy: 0.987312741065423
Energy: 0.7323388710878729
Energy: 0.9957937742911005
Energy: 0.7295864105684149
Energy: 0.9957937742911005
Energy: 0.7323388710884752
Energy: 0.9957937742911005
Energy: 0.7218185912099038
Energy: 0.9980028361083653
Energy: 0.7213452179765636
Energy: 0.998002836107763
Energy: 0.7218185912074947
Energy: 0.998002836107763
Energy: 0.7341091060996339
Energy: 0.9978534878114836
Energy: 0.7288084871703506
Energy: 0.9978534878114836
Energy: 0.7341091060996339
Energy: 0.9978534878114836
Energy: 1.1967003752089214
Energy: 0.9855762957763635
Energy: 0.8916738216966237
Energy: 0.9855762957757612
Energy: 1.1967003752089214
Energy: 0.9855762957763635
Energy: 1.0720492655276148
Energy: 0.9956234529091308
Energy: 0.7492084617213233
Energy: 0.9956234529097331
Energy: 1.0720492655276148
Energy: 0.9956234529097331
Energy: 1.4721749274578948
Energy: 0.8725462668714093
Energy: 0.7211945771146022
Energy: 0.8725462668720118
Energy: 1.4721749274572928
Energy: 0.8725462668708072
Energy: 1.0818757963290049
Energy: 0.9984121869296259
Energy: 0.8162811167795325
Energy: 0.9984121869290234
Energy: 1.0818757963290049
Energy: 0.9984121869290234
Energy: 1.3361377663808531
Energy: 0.9793276236854228
Energy: 0.8924143627946015
Energy: 0.9793276236854228
Energy: 1.3361377663808531
Energy: 0.9793276236848204
Energy: 1.0721967022097771
Energy: 0.9956723625016448
Energy: 0.7730658571931129
Energy: 0.9956723625016448
Energy: 1.0721967022097771
Energy: 0.9956723625016448
Energy: 1.1125452920563998
Energy: 0.7422963269173423
Energy: 0.7217061754023587
Energy: 0.7422963269311951
Energy: 1.112545291952257
Energy: 0.7422963269245699
Energy: 0.7332974383263439
Energy: 0.9815249567754379
Energy: 0.8156958089647491
Energy: 0.9815249567760402
Energy: 0.7332974383257417
Energy: 0.9815249567754379
Energy: 0.8126313786702205
Energy: 0.9764672214116563
Energy: 0.7147393412000476
Energy: 0.976467221412861
Energy: 0.8126313786720273
Energy: 0.976467221412861
Energy: 0.7317834235517788
Energy: 0.9766209274712194
Energy: 0.8224729204929384
Energy: 0.9766209274712194
Energy: 0.7317834235511765
Energy: 0.976620927470617
Energy: 0.8228370098595236
Energy: 0.976703809375024
Energy: 0.7317586241212268
Energy: 0.9767038093762287
Energy: 0.8228370098607282
Energy: 0.9767038093756263
Energy: 0.7147298917469376
Energy: 0.976406635045009
Energy: 0.8129151780712285
Energy: 0.976406635045009
Energy: 0.7147298917469376
Energy: 0.976406635045009
Energy: 0.816014447119498
Energy: 0.9815560580728077
Energy: 0.733403530819123
Energy: 0.9815560580722054
Energy: 0.816014447119498
Energy: 0.9815560580722054
Energy: 0.7217865132084398
Energy: 0.745385278917031
Energy: 1.112183657705436
Energy: 0.7453852789164286
Energy: 0.7217865132084398
Energy: 0.7453852789176333
Energy: 0.7730658571937151
Energy: 0.9957586904692072
Energy: 1.072009672113296
Energy: 0.9957586904692072
Energy: 0.7730658571925105
Energy: 0.9957586904692072
Energy: 0.8056793368708036
Energy: 0.9790298970165967
Energy: 1.336517786005745
Energy: 0.9790298970159944
Energy: 0.8056793368708036
Energy: 0.9790298970159944
Energy: 0.741367384651427
Energy: 0.9984387255912367
Energy: 1.0819551849655074
Energy: 0.9984387255906345
Energy: 0.7413673846538363
Energy: 0.9984387255906345
Energy: 0.7210132969115595
Energy: 0.8723691345681913
Energy: 1.472091154461921
Energy: 0.8723691345681913
Energy: 0.7210132969115595
Energy: 0.8723691345681913
Energy: 0.7490770757539661
Energy: 0.9958671420389794
Energy: 1.0722325228102663
Energy: 0.9958671420383771
Energy: 0.7490770757545684
Energy: 0.9958671420383771
Energy: 0.8054016507372914
Energy: 0.9856055915877868
Energy: 1.1967820401007823
Energy: 0.9856055915865822
Energy: 0.8054016507372914
Energy: 0.9856055915877868
Energy: 0.7288316850173454
Energy: 0.9981189230566163
Energy: 0.7341651906466433
Energy: 0.9981189230566163
Energy: 0.7288316850173454
Energy: 0.9981189230566163
Energy: 0.7213472804051116
Energy: 0.9980028361089675
Energy: 0.722703407954289
Energy: 0.9980028361089675
Energy: 0.7213472804057138
Energy: 0.9980028361089675
Energy: 0.729175557326007
Energy: 0.9963331007089161
Energy: 0.7322076997522177
Energy: 0.9963331007083139
Energy: 0.7291755573266092
Energy: 0.9963331007083139

minimum gb energy = 0.7142412793004459 eV
minimum distance =  2.31459739801383 Angstroms
sigma value = 67


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

Energy: 0.19044037182582796
Energy: 0.19104202170671977
Energy: 1.477438043807642
Energy: 0.19104202170671977
Energy: 0.19044037182582796
Energy: 0.19104202170671977
Energy: 0.20304923205750738
Energy: 0.7233878909008306
Energy: 0.5044771979995195
Energy: 0.7233878909008306
Energy: 0.20304923205750738
Energy: 0.7233878909012424
Energy: 0.19044037182541626
Energy: 0.19104202170713147
Energy: 1.2081342173516811
Energy: 0.19104202170713147
Energy: 0.19044037182541626
Energy: 0.19104202170713147
Energy: 0.20304923205750738
Energy: 0.7233878909008306
Energy: 0.5044771979991308
Energy: 0.7233878909008306
Energy: 0.20304923205750738
Energy: 0.7233878909008306
Energy: 0.19044037182541626
Energy: 0.19104202170713147
Energy: 1.2080666886460696
Energy: 0.19104202170671977
Energy: 0.19044037182582796
Energy: 0.19104202170671977
Energy: 0.20304923205750738
Energy: 0.7233878909012424
Energy: 0.5044771979991308
Energy: 0.7233878909008306
Energy: 0.20304923205750738
Energy: 0.7233878909008306
Energy: 0.19044037182541626
Energy: 0.19104202170713147
Energy: 1.2079076337690464
Energy: 0.19104202170671977
Energy: 0.19044037182541626
Energy: 0.19104202170713147

minimum gb energy = 0.19044037182541626 eV
minimum distance =  2.42287035338061 Angstroms
sigma value = 3


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

Energy: 1.2544465626011327
Energy: 0.9780265511680287
Energy: 0.8636627454655568
Energy: 0.9780265511674808
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Energy: 0.9529593449132217
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Energy: 0.9045729084673886
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Energy: 0.701472765360877
Energy: 1.2021534880638474
Energy: 0.7014727653690936
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Energy: 0.7014727653367745
Energy: 0.9160975968410833
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Energy: 0.9160975968410833
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Energy: 1.2756598836125768
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Energy: 0.7111788800095222
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Energy: 0.9342781683365886
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Energy: 0.9342781683360409
Energy: 0.702519573746106
Energy: 0.8909831453884725
Energy: 1.201850872469847
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Energy: 0.7025195737466539
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Energy: 0.6952415116948258
Energy: 0.9374804430815378
Energy: 0.7110288179495134
Energy: 0.9551738795853761
Energy: 1.1295961066274804
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Energy: 0.7110288179495134
Energy: 0.9551738795848282
Energy: 0.7009440793351059
Energy: 0.9374237074165044
Energy: 0.9331690208489798
Energy: 0.9374237074165044
Energy: 0.7009440793351059
Energy: 0.9374237074165044
Energy: 0.7021609467782071
Energy: 0.9544382167231739
Energy: 1.0670205607241607
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Energy: 0.7021609467787548
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Energy: 0.704181366669074
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Energy: 0.8411279817383349
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Energy: 0.9200199276302504
Energy: 0.934076878185292
Energy: 0.6975237252082025
Energy: 0.934076878185292
Energy: 0.9200199276297025
Energy: 0.934076878185292
Energy: 1.1389021557189778
Energy: 0.9289278933051768
Energy: 0.7038751758859916
Energy: 0.9289278933046289
Energy: 1.1389021557189778
Energy: 0.9289278933046289
Energy: 1.1572161747985157
Energy: 0.9328115343436807
Energy: 0.6974110760012502
Energy: 0.9328115343442285
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Energy: 1.1526977121444641
Energy: 0.9377155080803841
Energy: 0.8539395806203846
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Energy: 1.1526977121450117
Energy: 0.9377155080798363
Energy: 1.1815594579647402
Energy: 0.937143395078531
Energy: 0.7055048517264452
Energy: 0.9371433950779832
Energy: 1.1815594579641926
Energy: 0.9371433950779832
Energy: 1.410839760676437
Energy: 0.9399165661059312
Energy: 0.7071687847433089
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Energy: 1.4108397606758893
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Energy: 1.1569717368731092
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Energy: 0.9125853175158627
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Energy: 1.1569717368736572
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Energy: 1.1531453419780582
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Energy: 0.6988447222661702
Energy: 0.9125704043203063
Energy: 1.1531453419786057
Energy: 0.9125704043203063
Energy: 0.9200909671022577
Energy: 0.9313026047131884
Energy: 0.7016307617539761
Energy: 0.9313026047131884
Energy: 0.9200909671022577
Energy: 0.9313026047126407
Energy: 1.1398556685980974
Energy: 0.9418144023548625
Energy: 0.6960662145698956
Energy: 0.9418144023548625
Energy: 1.1398556685980974
Energy: 0.9418144023548625
Energy: 0.9019387954767583
Energy: 0.9241757643948746
Energy: 0.8852147919316719
Energy: 0.9241757643948746
Energy: 0.9019387954767583
Energy: 0.9241757643948746
Energy: 0.8970337117463711
Energy: 0.9126953451459332
Energy: 0.6985990946730698
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Energy: 0.9126953451459332
Energy: 0.7036572728267192
Energy: 0.9343996755490724
Energy: 0.8803918761042421
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Energy: 0.7036572728261713
Energy: 0.9343996755496201
Energy: 0.8989235479828306
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Energy: 0.9218427803259701
Energy: 0.9422207814011041
Energy: 0.8989235479828306
Energy: 0.9422207814016519
Energy: 0.7006277755120505
Energy: 0.8871058465580148
Energy: 1.1234368764473253
Energy: 0.8871058465574669
Energy: 0.7006277755120505
Energy: 0.8871058465574669
Energy: 0.7029761997926112
Energy: 0.9142554173165527
Energy: 0.9378755137734786
Energy: 0.914255417315457
Energy: 0.7029761997926112
Energy: 0.914255417315457
Energy: 0.6945474547918086
Energy: 0.9089253762741589
Energy: 1.1269839968210675
Energy: 0.9089253762741589
Energy: 0.6945474547912607
Energy: 0.9089253762741589
Energy: 0.7114002119824185
Energy: 0.9512087062194037
Energy: 1.2116488797226492
Energy: 0.9512087062194037
Energy: 0.7114002119824185
Energy: 0.9512087062188559
Energy: 0.7003846955179053
Energy: 0.72836591750129
Energy: 1.2605745548524432
Energy: 0.7283659174569693
Energy: 0.7003846955179053
Energy: 0.728365917556616
Energy: 0.7007200593361136
Energy: 0.9519531263114283
Energy: 1.2333105423912596
Energy: 0.951953126311976
Energy: 0.7007200593361136
Energy: 0.9519531263114283
Energy: 0.6947284241172327
Energy: 0.7160577874222342
Energy: 1.2731739319977708
Energy: 0.7160577874216867
Energy: 0.6947284241172327
Energy: 0.7160577874216867
Energy: 0.7173227354235997
Energy: 0.952484744443991
Energy: 1.2117522098545694
Energy: 0.952484744443991
Energy: 0.7173227354235997
Energy: 0.952484744443991
Energy: 0.7006346095471944
Energy: 0.6990152187767288
Energy: 1.260820135513794
Energy: 0.6990152187767288
Energy: 0.7006346095466465
Energy: 0.6990152187767288
Energy: 0.6997973642595392
Energy: 0.9126940456923668
Energy: 0.9383050176589984
Energy: 0.9126940456918191
Energy: 0.6997973642595392
Energy: 0.9126940456918191
Energy: 0.6950757965992906
Energy: 0.8022837851315789
Energy: 0.937228028681244
Energy: 0.8022837851354135
Energy: 0.6950757965992906
Energy: 0.8022837851381525
Energy: 0.8873397447412276
Energy: 0.9353178631535426
Energy: 0.9229456837293306
Energy: 0.9353178631529948
Energy: 0.8873397447417755
Energy: 0.9353178631551362

minimum gb energy = 0.6945474547912607 eV
minimum distance =  2.30878974193352 Angstroms
sigma value = 81


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

Energy: 1.1908169230433612
Energy: 1.1119450625204756
Energy: 0.9679076633591629
Energy: 1.111945062519724
Energy: 1.1908169230441128
Energy: 1.1119450625204756
Energy: 1.3948273805994513
Energy: 0.8307243607708563
Energy: 0.7642621979070319
Energy: 0.8307243607708563
Energy: 1.3948273805994513
Energy: 0.8307243607708563
Energy: 1.152748460702917
Energy: 1.0581092034806174
Energy: 0.9458877166616244
Energy: 1.0581092034798656
Energy: 1.152748460702917
Energy: 1.0581092034798656
Energy: 1.0476386534954802
Energy: 0.7796145315693465
Energy: 0.7642414430959779
Energy: 0.7796145315700983
Energy: 1.0476386534954802
Energy: 0.7796145315700983
Energy: 0.7757115707572714
Energy: 1.0101490547626624
Energy: 0.8632174227936119
Energy: 1.0101490547626624
Energy: 0.7757115707572714
Energy: 1.0101490547626624
Energy: 0.9066780151730357
Energy: 1.032984381837334
Energy: 0.7618966175297677
Energy: 1.032984381837334
Energy: 0.9066780151730357
Energy: 1.032984381837334
Energy: 0.7601212993547929
Energy: 1.0253427826850703
Energy: 0.7630744146770652
Energy: 1.0253427826835668
Energy: 0.7601212993547929
Energy: 1.0253427826843184
Energy: 0.7774578746302513
Energy: 1.0071526436942706
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Energy: 0.7774578746310031
Energy: 1.0071526436950224
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Energy: 1.1123567658620963
Energy: 0.7706930882262389
Energy: 0.7715089002274851
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Energy: 0.8161143467745495
Energy: 1.0544164654030186
Energy: 1.0683898204641968
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Energy: 0.8161143467745495
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Energy: 0.7874718730301329
Energy: 0.9200095645150735
Energy: 1.2422038256890284
Energy: 0.9200095645150735
Energy: 0.7874718730301329
Energy: 0.9200095645150735
Energy: 0.7770127950488933
Energy: 1.062735868350694
Energy: 1.1788926734063143
Energy: 1.062735868350694
Energy: 0.7770127950488933
Energy: 1.062735868350694
Energy: 0.7711010701600188
Energy: 1.0357812050961859
Energy: 1.1129190502220858
Energy: 1.0357812050954343
Energy: 0.7711010701600188
Energy: 1.0357812050946824
Energy: 0.7866735991216938
Energy: 1.0539805216186673
Energy: 1.0677503318595971
Energy: 1.0539805216186673
Energy: 0.7866735991216938
Energy: 1.0539805216186673
Energy: 0.7871734550095371
Energy: 1.086741676735549
Energy: 1.0484502007194474
Energy: 1.086741676735549
Energy: 0.7871734550102889
Energy: 1.086741676735549
Energy: 0.7711084102755617
Energy: 1.0618222280822496
Energy: 0.7773782290821066
Energy: 1.0618222280814977
Energy: 0.7711084102755617
Energy: 1.0618222280814977
Energy: 0.7712807580222933
Energy: 1.035708052044981
Energy: 0.9865654602698402
Energy: 1.035708052044981
Energy: 0.7712807580215415
Energy: 1.0357080520442292
Energy: 1.0514371008134167
Energy: 1.0498881748144253
Energy: 0.7621909036710303
Energy: 1.0498881748144253
Energy: 1.0514371008141683
Energy: 1.0498881748144253
Energy: 1.051701375068924
Energy: 1.0721614164213604
Energy: 0.7766196708683842
Energy: 1.0721614164221125
Energy: 1.0517013750704276
Energy: 1.0721614164221125
Energy: 1.0906955648947105
Energy: 1.0619248723097634
Energy: 0.7649877113439677
Energy: 1.0619248723097634
Energy: 1.0906955648947105
Energy: 1.0619248723097634
Energy: 1.089885641094221
Energy: 1.0547633761075437
Energy: 1.0048113982844111
Energy: 1.0547633761075437
Energy: 1.089885641094221
Energy: 1.0547633761075437
Energy: 1.4109667656991307
Energy: 1.0526039946660875
Energy: 0.7788739136087893
Energy: 1.052603994666839
Energy: 1.4109667656991307
Energy: 1.0526039946660875
Energy: 1.4110133659405557
Energy: 1.0522617311426126
Energy: 0.778787481354117
Energy: 1.0522617311433644
Energy: 1.4110133659398039
Energy: 1.0522617311433644
Energy: 1.0897734055211996
Energy: 1.0547590352930314
Energy: 1.0900670906706798
Energy: 1.0547590352937835
Energy: 1.0897734055211996
Energy: 1.0547590352937835
Energy: 1.0905239840100847
Energy: 1.061954113588717
Energy: 0.764852546501316
Energy: 1.061954113588717
Energy: 1.0905239840108367
Energy: 1.061954113588717
Energy: 1.0665834259718394
Energy: 1.0721281315435804
Energy: 0.776604956539202
Energy: 1.0721281315428286
Energy: 1.066583425973343
Energy: 1.0721281315435804
Energy: 1.0535249530705164
Energy: 1.049398499064956
Energy: 0.7621560527850231
Energy: 1.049398499064956
Energy: 1.0535249530705164
Energy: 1.049398499064956
Energy: 0.7712478662765317
Energy: 1.035728539112306
Energy: 1.0552239636813279
Energy: 1.035728539112306
Energy: 0.7712478662765317
Energy: 1.035728539112306
Energy: 0.7712159902343634
Energy: 1.061942637948352
Energy: 0.7773650319789183
Energy: 1.061942637948352
Energy: 0.7712159902343634
Energy: 1.061942637948352
Energy: 0.7870033928974742
Energy: 1.086741676736301
Energy: 1.048551495104028
Energy: 1.086741676736301
Energy: 0.7870033928974742
Energy: 1.086741676736301
Energy: 0.7867084620668119
Energy: 1.0538027746481753
Energy: 1.0680990479187171
Energy: 1.0538027746489271
Energy: 0.7867084620668119
Energy: 1.0538027746489271
Energy: 0.7712230587292285
Energy: 1.0356380706594832
Energy: 1.22135206934946
Energy: 1.0356380706587316
Energy: 0.7712230587284766
Energy: 1.0356380706579797
Energy: 0.7769249980597847
Energy: 1.0623221361588382
Energy: 1.179072516107783
Energy: 1.0623221361588382
Energy: 0.7769249980590328
Energy: 1.0623221361580863
Energy: 0.7874634739710006
Energy: 0.919624329656771
Energy: 1.2419523920503068
Energy: 0.919624329656771
Energy: 0.7874634739710006
Energy: 0.919624329656771
Energy: 0.8161143467753014
Energy: 1.0537154426597992
Energy: 1.0692565522241704
Energy: 1.0537154426597992
Energy: 0.8161143467745495
Energy: 1.0537154426590474
Energy: 0.77130231191406
Energy: 0.770703327158913
Energy: 1.2214837361890092
Energy: 0.7707033271574093
Energy: 0.77130231191406
Energy: 0.7707033271581611
Energy: 0.7774520633903087
Energy: 1.0073764222825219
Energy: 0.776918470661425
Energy: 1.0073764222832737
Energy: 0.7774520633903087
Energy: 1.0073764222825219
Energy: 0.7603430433735855
Energy: 1.024967401498502
Energy: 0.7629977780378102
Energy: 1.0249674014992536
Energy: 0.7603430433735855
Energy: 1.0249674014992536

minimum gb energy = 0.7601212993547929 eV
minimum distance =  2.24967577301564 Angstroms
sigma value = 43


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

Energy: 1.32289522403503
Energy: 1.212164666781524
Energy: 1.2360096285970594
Energy: 1.212164666781524
Energy: 1.32289522403503
Energy: 1.212164666781524
Energy: 1.2398365961772875
Energy: 0.9143642792585315
Energy: 0.8092638130068914
Energy: 0.9143642792585315
Energy: 1.2398365961772875
Energy: 0.9143642792585315
Energy: 0.8390437297821465
Energy: 1.097123797847038
Energy: 1.006555779419934
Energy: 1.097123797847038
Energy: 0.839043729781223
Energy: 1.097123797847038
Energy: 0.9973711528230477
Energy: 0.8278783998212406
Energy: 0.8092378632589837
Energy: 0.8278783998212406
Energy: 0.9973711528230477
Energy: 0.8278783998203171
Energy: 0.8017210155119089
Energy: 1.1120058972698574
Energy: 0.9399837294350301
Energy: 1.1120058972698574
Energy: 0.8017210155119089
Energy: 1.1120058972698574
Energy: 0.8276871688807811
Energy: 1.1306544219589625
Energy: 0.8034696251733847
Energy: 1.1306544219589625
Energy: 0.8276871688807811
Energy: 1.1306544219589625
Energy: 0.816186138160319
Energy: 0.8154345520547114
Energy: 0.8030350553119217
Energy: 0.815433898882767
Energy: 0.8161861381593954
Energy: 0.8154349135364337
Energy: 0.8980572262229054
Energy: 1.110201876883158
Energy: 0.8410354134969737
Energy: 1.110201876883158
Energy: 0.8980572262229054
Energy: 1.110201876883158
Energy: 0.8377322375972268
Energy: 0.986521519182116
Energy: 1.122129612569422
Energy: 0.986521519182116
Energy: 0.8377322375972268
Energy: 0.986521519182116
Energy: 0.8278497779758208
Energy: 1.143030924852034
Energy: 1.0331361353818642
Energy: 1.1430309248511106
Energy: 0.8278497779758208
Energy: 1.1430309248511106
Energy: 0.8151050631154947
Energy: 1.178892937233559
Energy: 0.8032311480970102
Energy: 1.178892937233559
Energy: 0.8151050631154947
Energy: 1.178892937233559
Energy: 0.8370594532627514
Energy: 1.11001474106015
Energy: 0.8414230413400394
Energy: 1.1100147410592265
Energy: 0.8370594532627514
Energy: 1.11001474106015
Energy: 0.8371888587162147
Energy: 0.8355568961403902
Energy: 0.8286566901629017
Energy: 0.8355568961403902
Energy: 0.8371888587162147
Energy: 0.8355568961413137
Energy: 0.8189085163203182
Energy: 1.1439392332446305
Energy: 0.8039086284169709
Energy: 1.1439392332446305
Energy: 0.8189085163203182
Energy: 1.1439392332446305
Energy: 0.8011907931530942
Energy: 1.1404631598095316
Energy: 0.8257453160196726
Energy: 1.1404631598086081
Energy: 0.8011907931530942
Energy: 1.1404631598086081
Energy: 0.8028560116901261
Energy: 0.9836982119335377
Energy: 0.8100171143645336
Energy: 0.9836982119335377
Energy: 0.8028560116901261
Energy: 0.9836982119335377
Energy: 0.8033926105937815
Energy: 1.1166012280486706
Energy: 1.06221350642213
Energy: 1.1166012280486706
Energy: 0.8033926105928579
Energy: 1.1166012280486706
Energy: 0.8358084628301051
Energy: 1.1176240472818857
Energy: 0.8275954724837421
Energy: 1.1176240472818857
Energy: 0.8358084628301051
Energy: 1.1176240472828092
Energy: 0.8359951376662599
Energy: 1.1181440979753146
Energy: 0.826313011743676
Energy: 1.118144097974391
Energy: 0.8359951376662599
Energy: 1.118144097974391
Energy: 0.804010014977322
Energy: 1.1795503401620566
Energy: 0.8105725985586536
Energy: 1.1795503401620566
Energy: 0.804010014977322
Energy: 1.1795503401620566
Energy: 0.8023252479228806
Energy: 1.1758431331890056
Energy: 0.8099123334835416
Energy: 1.1758431331890056
Energy: 0.8023252479228806
Energy: 1.1758431331890056
Energy: 0.8181259748041336
Energy: 1.1406434998540567
Energy: 0.8272372132462859
Energy: 1.14064349985498
Energy: 0.8181259748041336
Energy: 1.1406434998540567
Energy: 0.8010454045034825
Energy: 1.1423674691889905
Energy: 0.8066242163600005
Energy: 1.1423674691889905
Energy: 0.8010454045034825
Energy: 1.1423674691889905
Energy: 0.8336471744137729
Energy: 1.145893208413508
Energy: 0.816634501398803
Energy: 1.1458932084144318
Energy: 0.8336471744137729
Energy: 1.1458932084144318
Energy: 0.8353297955761704
Energy: 1.175866936803967
Energy: 0.8375200014336684
Energy: 1.1758669368030437
Energy: 0.8353297955761704
Energy: 1.175866936803967
Energy: 0.8144415937734616
Energy: 1.1795343151166762
Energy: 0.8053540643076085
Energy: 1.1795343151166762
Energy: 0.8144415937734616
Energy: 1.1795343151166762
Energy: 0.8266222675547217
Energy: 1.142616044372206
Energy: 1.0340744483164714
Energy: 1.142616044372206
Energy: 0.8266222675547217
Energy: 1.142616044372206
Energy: 0.8330591493979553
Energy: 1.1650496564630286
Energy: 0.8378447388065823
Energy: 1.1650496564630286
Energy: 0.8330591493970317
Energy: 1.1650496564630286
Energy: 0.8970356324938537
Energy: 1.1116164605957048
Energy: 0.8439764073024801
Energy: 1.1116164605947814
Energy: 0.8970356324938537
Energy: 1.1116164605957048
Energy: 0.8139240526645481
Energy: 0.8159285166617953
Energy: 0.8035093939107671
Energy: 0.8159285166544074
Energy: 0.8139240526645481
Energy: 0.8159285166691831
Energy: 0.8194612511356641
Energy: 1.14126797895222
Energy: 0.80618541073285
Energy: 1.14126797895222
Energy: 0.8194612511356641
Energy: 1.14126797895222

minimum gb energy = 0.8010454045034825 eV
minimum distance =  2.30426632689347 Angstroms
sigma value = 57


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

Energy: 0.9301583586925737
Energy: 1.2501929355604462
Energy: 1.1634057891793266
Energy: 1.2501929355616421
Energy: 0.9301583586925737
Energy: 1.2501929355616421
Energy: 0.8733045355044872
Energy: 1.0010729399936038
Energy: 0.8731560829428406
Energy: 1.0010729399936038
Energy: 0.8733045355044872
Energy: 1.0010729399936038
Energy: 0.8596286151873815
Energy: 1.2572612516356194
Energy: 1.0901314178231445
Energy: 1.2572612516356194
Energy: 0.8596286151873815
Energy: 1.2572612516356194
Energy: 0.8946509637243257
Energy: 0.8843328294623768
Energy: 0.8732898159567327
Energy: 0.8843328294623768
Energy: 0.8946509637231301
Energy: 0.8843328294623768
Energy: 0.8692933451786024
Energy: 0.8825195460261578
Energy: 1.0316929627226938
Energy: 0.8825195460273534
Energy: 0.8692933451797982
Energy: 0.8825195460273534
Energy: 0.8981241818778195
Energy: 1.2817946402667206
Energy: 0.8622872572101248
Energy: 1.2817946402667206
Energy: 0.8981241818778195
Energy: 1.2817946402667206
Energy: 0.8968471684097821
Energy: 1.0912627849284395
Energy: 0.8615002077268749
Energy: 1.0912627849571093
Energy: 0.8968471684097821
Energy: 1.0912627849248524
Energy: 0.8945856446161741
Energy: 1.268159717578891
Energy: 0.9334641573460286
Energy: 1.2681597175800867
Energy: 0.8945856446161741
Energy: 1.2681597175776953
Energy: 0.8693824593815587
Energy: 0.9941277090253665
Energy: 1.031538651648434
Energy: 0.9941277090253665
Energy: 0.8693824593827544
Energy: 0.9941277090265622
Energy: 0.8933432543732664
Energy: 1.2704606331278758
Energy: 0.862595801229857
Energy: 1.2704606331266803
Energy: 0.8933432543732664
Energy: 1.2704606331266803
Energy: 0.8947109468782627
Energy: 0.894930112032335
Energy: 0.8950888357616541
Energy: 0.894930112032335
Energy: 0.8947109468782627
Energy: 0.894930112032335
Energy: 0.8869521892702503
Energy: 1.1043447432697786
Energy: 0.87406686946693
Energy: 1.104344743268583
Energy: 0.8869521892702503
Energy: 1.104344743268583
Energy: 0.8593948429398702
Energy: 1.2873549680920597
Energy: 0.9472663672318945
Energy: 1.2873549680920597
Energy: 0.8593948429398702
Energy: 1.2873549680920597
Energy: 0.8596898721277966
Energy: 1.2588759415552189
Energy: 0.8883925539846739
Energy: 1.2588759415552189
Energy: 0.8596898721277966
Energy: 1.2588759415552189
Energy: 0.8840947252307274
Energy: 1.2699887290448957
Energy: 0.8887855078475193
Energy: 1.2699887290448957
Energy: 0.8840947252534459
Energy: 1.2699887290448957
Energy: 0.8859867859578648
Energy: 1.2853598466914598
Energy: 0.8745114258767788
Energy: 1.2853598466914598
Energy: 0.8859867859578648
Energy: 1.2853598466914598
Energy: 0.859652935724419
Energy: 1.2707561634935602
Energy: 0.8914875538492227
Energy: 1.2707561634935602
Energy: 0.859652935724419
Energy: 1.2707561634935602
Energy: 0.8927596984016447
Energy: 1.1559605220295515
Energy: 0.8927463715594488
Energy: 1.1559605220307474
Energy: 0.8927596984016447
Energy: 1.1559605220307474
Energy: 0.8825128997224132
Energy: 1.2707464651844897
Energy: 0.8592163297205351
Energy: 1.2707464651844897
Energy: 0.882512899723609
Energy: 1.2707464651844897
Energy: 0.8745723060180979
Energy: 1.2853912030361294
Energy: 0.8860330493295756
Energy: 1.2853912030361294
Energy: 0.8745723060180979
Energy: 1.2853912030361294
Energy: 0.8885876995297325
Energy: 1.2695850964884325
Energy: 0.8842252191807336
Energy: 1.2695850964884325
Energy: 0.8885876995297325
Energy: 1.2695850964884325
Energy: 0.8884773214168074
Energy: 1.0926171710204498
Energy: 0.8596424618401282
Energy: 1.0926171710192543
Energy: 0.8884773214168074
Energy: 1.0926171710204498
Energy: 0.9923329712664822
Energy: 1.2875244492007683
Energy: 0.8590823618062857
Energy: 1.2875244492007683
Energy: 0.9923329712664822
Energy: 1.2875244492007683
Energy: 0.874008259922068
Energy: 1.1043255977347521
Energy: 0.8868472675031361
Energy: 1.1043255977347521
Energy: 0.874008259922068
Energy: 1.1043255977347521

minimum gb energy = 0.8590823618062857 eV
minimum distance =  2.30308821971404 Angstroms
sigma value = 17


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

Energy: 0.9464919725416808
Energy: 0.9450663853658319
Energy: 1.5914147211547431
Energy: 0.9450663853658319
Energy: 0.9464919725416808
Energy: 0.9450663853658319
Energy: 1.0101580404503427
Energy: 0.9654349439470208
Energy: 0.9657834896275437
Energy: 0.9654349439470208
Energy: 1.0101580404503427
Energy: 0.9654349439470208
Energy: 0.954273687117532
Energy: 0.9544074195569412
Energy: 1.2201397025472893
Energy: 0.9544074195569412
Energy: 0.954273687117532
Energy: 0.9544074195569412
Energy: 1.0074290178516758
Energy: 0.9551597484822786
Energy: 0.9580054823782961
Energy: 0.9551597484822786
Energy: 1.007429017853367
Energy: 0.9551597484822786
Energy: 0.9628835313869257
Energy: 0.9631989390384245
Energy: 0.9889804249568905
Energy: 0.9631989390367335
Energy: 0.9628835313852346
Energy: 0.9631989390384245
Energy: 0.9692747309378629
Energy: 0.9451636056715864
Energy: 0.9503198390609844
Energy: 0.9451636056715864
Energy: 0.9692747309378629
Energy: 0.9451636056715864
Energy: 0.9725109152395829
Energy: 1.1921057992783992
Energy: 1.0069372835623407
Energy: 1.1921057992783992
Energy: 0.9725109152395829
Energy: 1.1921057992783992
Energy: 0.9548566582715159
Energy: 1.2171830429525812
Energy: 0.9573525712010977
Energy: 1.2171830429525812
Energy: 0.9548566582715159
Energy: 1.2171830429525812
Energy: 0.9546547611465366
Energy: 0.9584197548132939
Energy: 1.1804687780702539
Energy: 0.9584197548132939
Energy: 0.9546547611448455
Energy: 0.9584197548132939
Energy: 0.9439362711980724
Energy: 0.9296995364281895
Energy: 0.9658688137538065
Energy: 0.9296995364281895
Energy: 0.9439362711980724
Energy: 0.9296995364281895
Energy: 0.9443822625504367
Energy: 1.3962794779054482
Energy: 0.9631437818330887
Energy: 1.3962794779054482
Energy: 0.9443822625504367
Energy: 1.3962794779054482
Energy: 0.9558664041321008
Energy: 1.2234935975296928
Energy: 0.9640389132966527
Energy: 1.2234935975296928
Energy: 0.9558664041321008
Energy: 1.2234935975296928
Energy: 0.9549755717506686
Energy: 1.4028097255695635
Energy: 0.9895727748014592
Energy: 1.4028097255695635
Energy: 0.9549755717506686
Energy: 1.4028097255695635
Energy: 0.9892295087690441
Energy: 0.9552309574817901
Energy: 0.95572952685864
Energy: 0.9552309574817901
Energy: 0.9892295087707352
Energy: 0.9552309574817901
Energy: 0.9722070794413542
Energy: 1.2230770572032
Energy: 0.9442952647357202
Energy: 1.2230770572032
Energy: 0.9722070794413542
Energy: 1.2230770572032
Energy: 0.9632537998047801
Energy: 1.394591627423459
Energy: 0.9443836297244637
Energy: 1.394591627423459
Energy: 0.9632537998047801
Energy: 1.394591627423459
Energy: 0.992112820892423
Energy: 0.9563033787836388
Energy: 0.9548700570333087
Energy: 0.9563033787836388
Energy: 0.992112820894114
Energy: 0.9563033787836388

minimum gb energy = 0.9296995364281895 eV
minimum distance =  2.28599206101246 Angstroms
sigma value = 17


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

Energy: 1.4960074014684688
Energy: 1.4641831155355094
Energy: 1.1800581637051437
Energy: 1.4641831155355094
Energy: 1.4960074014684688
Energy: 1.4641831155342035
Energy: 1.2262427339356694
Energy: 0.9681303568580605
Energy: 0.9378227093138358
Energy: 0.9681303568567545
Energy: 1.2262427339356694
Energy: 0.9681303568580605
Energy: 0.9674682555725347
Energy: 1.0030821678485817
Energy: 1.1111774409707342
Energy: 1.0030821678472757
Energy: 0.9674682555725347
Energy: 1.0030821678479287
Energy: 0.9455733431180016
Energy: 0.9336032030999558
Energy: 1.1206818853657274
Energy: 0.9336032030875785
Energy: 0.9455733431173486
Energy: 0.9336032030843134
Energy: 0.9391553585391026
Energy: 0.9894423876711549
Energy: 1.2370401293218014
Energy: 0.9894423876718079
Energy: 0.9391553585391026
Energy: 0.9894423876711549
Energy: 1.1300705032095317
Energy: 0.9490443485242909
Energy: 1.147948436853926
Energy: 0.9490443485249438
Energy: 1.1300705032088787
Energy: 0.9490443485249438
Energy: 0.9601856397814472
Energy: 1.0205469684337172
Energy: 1.2711847096089983
Energy: 1.0205469684330644
Energy: 0.9601856397814472
Energy: 1.0205469684330644
Energy: 1.4311400612430083
Energy: 0.9344186914771826
Energy: 0.9577960349807165
Energy: 0.9344186914817536
Energy: 1.4311400612430083
Energy: 0.9344186914732646
Energy: 1.1525653382542334
Energy: 0.9477850481616841
Energy: 0.944744509845244
Energy: 0.94778504816299
Energy: 1.1525653382548864
Energy: 0.94778504815646
Energy: 0.9690318293460056
Energy: 1.0015827831728126
Energy: 0.9378564115043719
Energy: 1.0015827831728126
Energy: 0.9690318293466587
Energy: 1.0015827831741186
Energy: 1.1262505122150346
Energy: 1.0243071220855546
Energy: 1.1123875547733155
Energy: 1.0243071441575509
Energy: 1.1262505122150346
Energy: 1.0243071182208678
Energy: 0.9759104091363779
Energy: 0.946425967215922
Energy: 0.97443763307176
Energy: 0.9464259672165751
Energy: 0.9759104091357249
Energy: 0.9464259672165751
Energy: 0.9392521094289175
Energy: 0.9419303606470933
Energy: 1.347932747646719
Energy: 0.9419303606575413
Energy: 0.9392521094289175
Energy: 0.9419303606444813
Energy: 0.9705671415659637
Energy: 0.9387824266792134
Energy: 1.4049378329866304
Energy: 0.9387824266792134
Energy: 0.9705671415653107
Energy: 0.9387824266779075
Energy: 0.9697118314949297
Energy: 1.3346544695867721
Energy: 1.111733007007813
Energy: 1.3346544695854659
Energy: 0.9697118314949297
Energy: 1.334654469586119
Energy: 1.1083273509964642
Energy: 1.3367162808482862
Energy: 0.9755719575019755
Energy: 1.3367162808489392
Energy: 1.108327350997117
Energy: 1.3367162808489392
Energy: 1.1081002646004663
Energy: 1.0170485247738794
Energy: 0.9702636320981493
Energy: 1.0170485247738794
Energy: 1.108100264599813
Energy: 1.0170485247738794
Energy: 1.4351488125194616
Energy: 1.010807850787539
Energy: 0.9535045344381929
Energy: 1.0108078511151963
Energy: 1.4351488125201144
Energy: 1.010807851072781
Energy: 1.4331936774373042
Energy: 1.097372678965563
Energy: 0.9562095976117672
Energy: 1.09737267895838
Energy: 1.4331936774373042
Energy: 1.0973726789714402
Energy: 0.959259041713698
Energy: 1.4012247636615824
Energy: 0.9588168042748909
Energy: 1.4012247636622355
Energy: 0.9592590417150041
Energy: 1.4012247636622355
Energy: 0.9553851111348198
Energy: 1.1002143924826755
Energy: 1.2735163479366052
Energy: 1.1002143924807164
Energy: 0.9553851111341669
Energy: 1.1002143924754926
Energy: 0.9613449461490959
Energy: 1.0119283584724827
Energy: 1.4352091903995712
Energy: 1.0119283584731358
Energy: 0.9613449461490959
Energy: 1.0119283584724827
Energy: 0.9698143317245267
Energy: 0.9385945672166562
Energy: 1.1079909451462477
Energy: 0.9385945672153503
Energy: 0.9698143317245267
Energy: 0.9385945672153503
Energy: 0.9750831416445693
Energy: 0.9311211145877295
Energy: 1.1119301028396738
Energy: 0.9311211145877295
Energy: 0.9750831416445693
Energy: 0.9311211145870765
Energy: 1.1119331041575868
Energy: 1.3322878605643482
Energy: 0.9500679298741775
Energy: 1.332287860565001
Energy: 1.1119331041575868
Energy: 1.332287860565001
Energy: 1.501746741278201
Energy: 1.2164986739023727
Energy: 0.9935608739364118
Energy: 1.2164986739036787
Energy: 1.5017467412775478
Energy: 1.2164986738997607
Energy: 1.374579939449417
Energy: 0.938208612679654
Energy: 0.9428982669844764
Energy: 0.938208612670512
Energy: 1.3745799394487637
Energy: 0.9382086126757361
Energy: 0.9747810348800291
Energy: 0.9454894925275216
Energy: 0.9731336795264878
Energy: 0.9454894925268686
Energy: 0.9747810348806821
Energy: 0.9454894925262156
Energy: 1.1117818687986578
Energy: 1.1725447855591582
Energy: 1.1261305856736534
Energy: 1.172544785550669
Energy: 1.1117818687986578
Energy: 1.1725447855513222
Energy: 0.9432839458000469
Energy: 0.979583937386396
Energy: 1.1699306777084377
Energy: 0.9795839373850901
Energy: 0.9432839458000469
Energy: 0.9795839373857431
Energy: 0.9446139967489539
Energy: 0.9479059204442379
Energy: 1.1531296191990823
Energy: 0.9479059208652147
Energy: 0.9446139967489539
Energy: 0.9479059205499646
Energy: 0.9583435098103071
Energy: 0.9333459493447698
Energy: 1.1905047313427906
Energy: 0.9333459493428107
Energy: 0.9583435098103071
Energy: 0.9333459493421576
Energy: 1.1329323249833083
Energy: 1.0204626577465024
Energy: 0.9603912374846606
Energy: 1.0204626577465024
Energy: 1.1329323249846142
Energy: 1.0204626577451965
Energy: 1.147916287661464
Energy: 0.9490916641453848
Energy: 1.1225710231325365
Energy: 0.9490916640931746
Energy: 1.147916287662117
Energy: 0.9490916641538739
Energy: 1.2270798908173208
Energy: 1.006577074445862
Energy: 0.9431885359938306
Energy: 1.0065770744497802
Energy: 1.227079890817974
Energy: 1.0065770744452092
Energy: 1.1206885958861659
Energy: 0.9345178273660723
Energy: 0.9449779097036182
Energy: 0.9345178273628073
Energy: 1.1206885958861659
Energy: 0.9345178273608482
Energy: 1.170468147669789
Energy: 1.0043899338766913
Energy: 0.9674108237009796
Energy: 1.004389933875385
Energy: 1.170468147669789
Energy: 1.004389933875385
Energy: 0.9402978140903139
Energy: 0.9698507226311588
Energy: 1.1858228426999189
Energy: 0.9698507226311588
Energy: 0.9402978140903139
Energy: 0.9698507226311588
Energy: 1.0921862308533925
Energy: 1.453891776062835
Energy: 1.3970890871813881
Energy: 1.453891776062835
Energy: 1.0921862308475452
Energy: 1.453891776062835
Energy: 0.9377899550285415
Energy: 0.9692946004968755
Energy: 1.2262427339363222
Energy: 0.9692946004962226
Energy: 0.9377899550285415
Energy: 0.9692946004962226
Energy: 0.9363409202452952
Energy: 1.0030821678466229
Energy: 0.9674682555731877
Energy: 1.0030821678485817
Energy: 0.9363409202426833
Energy: 1.0030821678492348
Energy: 1.1208827253404086
Energy: 1.306983918029347
Energy: 0.9455733431173486
Energy: 1.306983918029347
Energy: 1.1208827253404086
Energy: 1.306983918028694
Energy: 1.0307973081055652
Energy: 1.006577074421048
Energy: 0.9391553585397555
Energy: 1.006577074423007
Energy: 1.0307973082472066
Energy: 1.006577074420395

minimum gb energy = 0.9311211145870765 eV
minimum distance =  2.24989399343458 Angstroms
sigma value = 57


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

Energy: 1.2277619580618149
Energy: 1.4511711234282256
Energy: 1.5453793715620407
Energy: 1.4511711234292888
Energy: 1.2277619580618149
Energy: 1.4511711234282256
Energy: 1.0921367244184745
Energy: 0.9433095905046017
Energy: 0.9436259581455578
Energy: 0.9433095905046017
Energy: 1.0921367244195375
Energy: 0.9433095905046017
Energy: 0.9424699204674872
Energy: 1.0322318811769726
Energy: 0.9581767272948883
Energy: 1.0322318811759092
Energy: 0.9424699204674872
Energy: 1.0322318811748945
Energy: 1.1604196886411604
Energy: 1.027020742959462
Energy: 1.193204212890323
Energy: 1.0270207429573355
Energy: 1.1604196886411604
Energy: 1.0270207429615883
Energy: 0.8959014144837807
Energy: 1.0152371633628576
Energy: 1.0954316731584977
Energy: 1.0152371633617945
Energy: 0.8959014144837807
Energy: 1.0152371633617945
Energy: 1.2021412802305784
Energy: 1.027315054235454
Energy: 1.192873009872603
Energy: 1.0273150542280114
Energy: 1.2021412802305784
Energy: 1.0273150542301377
Energy: 0.9450783419111431
Energy: 1.0337571919858939
Energy: 0.9502658872929515
Energy: 1.0337571919784516
Energy: 0.9450783419111431
Energy: 1.0337571919869573
Energy: 1.258294044538686
Energy: 1.0100547093391956
Energy: 0.9435563822356065
Energy: 1.010054709340259
Energy: 1.2582940445376227
Energy: 1.010054709340259
Energy: 1.0748586055299012
Energy: 1.1624463707764867
Energy: 0.943342319896724
Energy: 1.1624463707743602
Energy: 1.0748586055299012
Energy: 1.1624463707732968
Energy: 1.4635023226454904
Energy: 0.9457520795278052
Energy: 0.9472396375954694
Energy: 0.9457520795267419
Energy: 1.4635023226454904
Energy: 0.9457520795278052
Energy: 0.9452764421778774
Energy: 1.1662868622047629
Energy: 1.190687278208692
Energy: 1.1662868622015732
Energy: 0.9452764421778774
Energy: 1.1662868621941305
Energy: 1.0195696876041143
Energy: 1.0275764537272198
Energy: 1.2008090837348653
Energy: 1.0275764537304093
Energy: 1.0195696876051776
Energy: 1.027576453728283
Energy: 0.9000395906851173
Energy: 1.034283671715705
Energy: 1.1900171691160273
Energy: 1.0342836717178314
Energy: 0.9000395906851173
Energy: 1.0342836717135786
Energy: 1.208163327917022
Energy: 0.9379877453408524
Energy: 1.2003955868594312
Energy: 0.9379877453419156
Energy: 1.2081633279180852
Energy: 0.9379877453419156
Energy: 0.9474566216312591
Energy: 1.0348418292448085
Energy: 0.9429691686106906
Energy: 1.0348418292405555
Energy: 0.9474566216323224
Energy: 1.0348418292416186
Energy: 1.3244839265512087
Energy: 0.9749408875922739
Energy: 0.9477346640323554
Energy: 0.9749408876911068
Energy: 1.3244839265522719
Energy: 0.974940884499602
Energy: 1.24397246619105
Energy: 1.203847030344959
Energy: 0.9445567931887995
Energy: 1.203847030344959
Energy: 1.24397246619105
Energy: 1.2038470303460223
Energy: 1.1970814610528653
Energy: 1.1228317713941447
Energy: 0.951770375245657
Energy: 1.1228317713941447
Energy: 1.1970814610528653
Energy: 1.1228317713952078
Energy: 0.9471269994993899
Energy: 0.8968699977078549
Energy: 1.1992891475534952
Energy: 0.8968699977078549
Energy: 0.9471269995004532
Energy: 0.8968699977067918
Energy: 1.0435264092176806
Energy: 1.0414371610957014
Energy: 1.1804512853561575
Energy: 1.0414371610967643
Energy: 1.043526409216617
Energy: 1.0414371610967643
Energy: 0.8989581150236302
Energy: 1.0355075752693919
Energy: 1.1988948208426373
Energy: 1.0355075752693919
Energy: 0.8989581150246935
Energy: 1.0355075752672653
Energy: 0.9470690182840532
Energy: 0.8962328530711587
Energy: 1.2047683055689031
Energy: 0.8962328530700954
Energy: 0.9470690182851165
Energy: 0.8962328530700954
Energy: 0.9554026363911629
Energy: 1.0368451533664882
Energy: 0.9446470940050524
Energy: 1.0368451533675516
Energy: 0.9554026363922261
Energy: 1.0368451533749938
Energy: 1.069931888216819
Energy: 0.895589804505481
Energy: 0.9513844147499599
Energy: 0.8955898045044177
Energy: 1.0699318882178823
Energy: 0.8955898045044177
Energy: 1.0698136683046622
Energy: 1.0609549989262663
Energy: 0.9499542763847524
Energy: 1.060954998925203
Energy: 1.0698136683057253
Energy: 1.060954998925203
Energy: 0.9480417174371588
Energy: 1.036057857855706
Energy: 0.9468204653613617
Energy: 1.0360578577675057
Energy: 0.9480417174371588
Energy: 1.036057857797276
Energy: 0.9557666794562859
Energy: 0.896315907918801
Energy: 1.1782490356464024
Energy: 0.8963159079209274
Energy: 0.9557666794573492
Energy: 0.8963159079198643

minimum gb energy = 0.8955898045044177 eV
minimum distance =  2.33629704856369 Angstroms
sigma value = 43


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

Energy: 1.124529678266663
Energy: 1.3673933700438372
Energy: 1.3328289203792831
Energy: 1.367393370044612
Energy: 1.124529678266663
Energy: 1.3673933700438372
Energy: 1.04293027572237
Energy: 0.9849441611421625
Energy: 0.9615730741964571
Energy: 0.984944161142937
Energy: 1.0429302757231445
Energy: 0.984944161142937
Energy: 0.959300510492995
Energy: 1.095658852118948
Energy: 1.0297916249471486
Energy: 1.095658852118948
Energy: 0.959300510492995
Energy: 1.095658852118948
Energy: 1.0494995711954682
Energy: 1.350869932417971
Energy: 1.0742488997825712
Energy: 1.3508699324187459
Energy: 1.0494995711939186
Energy: 1.350869932417971
Energy: 0.9741141052549976
Energy: 1.05420232562307
Energy: 1.0912424919481418
Energy: 1.0542023256222952
Energy: 0.9741141052549976
Energy: 1.0542023256222952
Energy: 1.0827566956960688
Energy: 1.0635793418521835
Energy: 0.9782281701767961
Energy: 1.0635793418529582
Energy: 1.0827566956968435
Energy: 1.0635793418529582
Energy: 0.9803549730415396
Energy: 1.0640575790520257
Energy: 0.9843024246699235
Energy: 1.0640575790520257
Energy: 0.9803549730415396
Energy: 1.0640575790520257
Energy: 1.1162463050922167
Energy: 1.0540672357958085
Energy: 0.9731430526892413
Energy: 1.0540672357950338
Energy: 1.116246305091442
Energy: 1.0540672357981324
Energy: 1.0767585794664307
Energy: 1.3497278343768733
Energy: 1.1103175105122585
Energy: 1.349727834377648
Energy: 1.0767585794664307
Energy: 1.3497278343768733
Energy: 1.172263236758731
Energy: 1.097242737779604
Energy: 0.9631280302359608
Energy: 1.097242737779604
Energy: 1.172263236758731
Energy: 1.097242737779604
Energy: 0.9639098536847917
Energy: 1.0205134322759084
Energy: 1.426217286766306
Energy: 1.0205134322759084
Energy: 0.9639098536847917
Energy: 1.0205134322759084
Energy: 0.9835322642504781
Energy: 0.9771287588428006
Energy: 1.127425215799266
Energy: 0.9771287588435753
Energy: 0.9835322642504781
Energy: 0.9771287588428006
Energy: 0.9604359284148133
Energy: 0.9853884489562776
Energy: 1.110446023155088
Energy: 0.9853884489562776
Energy: 0.9604359284140386
Energy: 0.9853884489562776
Energy: 1.0853517669368657
Energy: 1.1632228217019531
Energy: 0.963739239037845
Energy: 1.1632228217019531
Energy: 1.0853517669368657
Energy: 1.1632228217011786
Energy: 1.073294625168219
Energy: 0.9598319535748494
Energy: 0.9840699623439855
Energy: 0.9598319535748494
Energy: 1.0732946251689934
Energy: 0.9598319535756241
Energy: 1.0827126622180543
Energy: 1.0975313524337937
Energy: 0.9629491925106255
Energy: 1.0975313524337937
Energy: 1.0827126622180543
Energy: 1.0975313524337937
Energy: 0.9768096461265406
Energy: 0.9769168847990649
Energy: 1.0827085364752183
Energy: 0.9769168847975156
Energy: 0.9768096461257659
Energy: 0.9769168847990649
Energy: 0.9853432055024568
Energy: 1.065358484376776
Energy: 0.9769573313980867
Energy: 1.065358484377551
Energy: 0.9853432055016821
Energy: 1.065358484376776
Energy: 0.988458965654598
Energy: 0.9859018749068441
Energy: 1.0735302754900038
Energy: 0.9859018749068441
Energy: 0.988458965654598
Energy: 0.9859018749068441
Energy: 0.9597121058908867
Energy: 1.4553344501166259
Energy: 1.0732582138711253
Energy: 1.4553344501166259
Energy: 0.9597121058908867
Energy: 1.4553344501166259
Energy: 0.9595279393717769
Energy: 1.0995594396893131
Energy: 0.9840729000936631
Energy: 1.0995594396893131
Energy: 0.9595279393717769
Energy: 1.0995594396893131
Energy: 1.5112514369990995
Energy: 0.963481917407392
Energy: 0.9599566949459489
Energy: 0.9634819174081668
Energy: 1.5112514369990995
Energy: 0.9634819174081668
Energy: 1.5096342706441206
Energy: 1.232210054645274
Energy: 0.983541950705482
Energy: 1.232210054645274
Energy: 1.5096342706433457
Energy: 1.232210054645274
Energy: 0.959704632117777
Energy: 1.0976483763125078
Energy: 0.9839646468072976
Energy: 1.0976483763125078
Energy: 0.959704632117777
Energy: 1.0976483763125078
Energy: 0.9598426383431514
Energy: 1.2514111056129371
Energy: 1.0740534563205935
Energy: 1.2514111056129371
Energy: 0.959842638343926
Energy: 1.2514111056129371
Energy: 0.9845575588928174
Energy: 1.1423092527787073
Energy: 1.0735041968789039
Energy: 1.1423092527779324
Energy: 0.9845575588928174
Energy: 1.1423092527787073
Energy: 0.9844432321929469
Energy: 1.1648884750335429
Energy: 1.063644609672256
Energy: 1.1648884750335429
Energy: 0.9844432321906229
Energy: 1.1648884750319934
Energy: 1.063702617079932
Energy: 1.4322322860588712
Energy: 1.0636462759583714
Energy: 1.4322322860580965
Energy: 1.0637026170807067
Energy: 1.4322322860588712
Energy: 1.063614926324442
Energy: 1.1638288225344637
Energy: 0.96742101493034
Energy: 1.1638288225375626
Energy: 1.0636149263236674
Energy: 1.1638288225375626
Energy: 1.0734857111602076
Energy: 1.142503192423535
Energy: 0.984555649752357
Energy: 1.1425031924227602
Energy: 1.0734857111586582
Energy: 1.142503192423535
Energy: 1.073728706048554
Energy: 1.251278145575641
Energy: 0.9596373466153659
Energy: 1.251278145575641
Energy: 1.0737287060477791
Energy: 1.251278145575641
Energy: 0.9842682756494465
Energy: 1.09765499745058
Energy: 0.9595064791526708
Energy: 1.09765499745058
Energy: 0.9842682756494465
Energy: 1.09765499745058
Energy: 0.9838974080144166
Energy: 1.2324178093259133
Energy: 1.3159526553603984
Energy: 1.2324178093259133
Energy: 0.9838974080151914
Energy: 1.2324178093251388
Energy: 0.9598123832678616
Energy: 0.9635858823472323
Energy: 1.5112447296409661
Energy: 0.9635858823487817
Energy: 0.9598123832670868
Energy: 0.9635858823487817
Energy: 0.9840065470774215
Energy: 1.099345309710037
Energy: 0.959424351525295
Energy: 1.099345309710037
Energy: 0.9840065470781963
Energy: 1.0993453097108117
Energy: 1.0735830729173066
Energy: 1.4551596847947055
Energy: 0.9599169754318373
Energy: 1.4551596847947055
Energy: 1.0735830729157572
Energy: 1.4551596847947055

minimum gb energy = 0.959300510492995 eV
minimum distance =  2.31484828202611 Angstroms
sigma value = 81


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

Energy: 0.9714051343123622
Energy: 0.9718624121327891
Energy: 1.186383183201721
Energy: 0.9718624121333714
Energy: 0.9714051343115212
Energy: 0.9718624121327891
Energy: 0.9721215922511357
Energy: 0.9717198225249228
Energy: 0.9713543453186074
Energy: 0.9717198225246317
Energy: 0.9721215922511357
Energy: 0.971719822524373
Energy: 0.9713311445285994
Energy: 0.9717785330271584
Energy: 0.9723082294168998
Energy: 0.9717785330274495
Energy: 0.9713311445283084
Energy: 0.9717785330274495
Energy: 1.1867093073834925
Energy: 0.9718624121330802
Energy: 0.9714051343115212
Energy: 0.9718624121330802
Energy: 1.1867093073852066
Energy: 0.9718624121333714
Energy: 0.9713543453188985
Energy: 0.971719822524373
Energy: 0.9721215922508446
Energy: 0.971719822524373
Energy: 0.9713543453186074
Energy: 0.971719822524373
Energy: 0.9723082294191963
Energy: 0.9717785330274495
Energy: 0.9713311445288906
Energy: 0.9717785330274495
Energy: 0.9723082294189052
Energy: 0.9717785330274495
Energy: 0.971405134312071
Energy: 0.9718624121330802
Energy: 1.1867093073843333
Energy: 0.9718624121330802
Energy: 0.971405134312071
Energy: 0.9718624121327891
Energy: 0.9721215922511357
Energy: 0.971719822524373
Energy: 0.9713543453186074
Energy: 0.971719822524373
Energy: 0.9721215922505535
Energy: 0.9717198225246317
Energy: 0.9713311445288906
Energy: 0.9717785330274495
Energy: 0.9723082294189052
Energy: 0.9717785330274495
Energy: 0.9713311445285994
Energy: 0.9717785330274495
Energy: 1.18670930738291
Energy: 0.9718624121330802
Energy: 0.97140513431178
Energy: 0.9718624121330802
Energy: 1.1867093073837836
Energy: 0.9718624121327891

minimum gb energy = 0.9713311445283084 eV
minimum distance =  2.27821114054331 Angstroms
sigma value = 3


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

Energy: 1.470674112763615
Energy: 1.2717911043148262
Energy: 0.9659135382162571
Energy: 1.271791104313974
Energy: 1.470674112763615
Energy: 1.2717911043148262
Energy: 0.9510844295467662
Energy: 1.066148358119875
Energy: 0.9418773516040715
Energy: 1.0661483581207265
Energy: 0.9510844295459143
Energy: 1.066148358119875
Energy: 0.9539467007760003
Energy: 0.954403663684597
Energy: 0.9478607662189085
Energy: 0.9544036636837451
Energy: 0.9539467007760003
Energy: 0.9544036636837451
Energy: 0.9549441748386601
Energy: 1.2552472969449449
Energy: 1.0736347311849752
Energy: 1.2552472969457964
Energy: 0.9549441748395119
Energy: 1.2552472969466486
Energy: 1.0463345021700732
Energy: 1.0428351978493946
Energy: 1.137123178077063
Energy: 1.0428351978502461
Energy: 1.0463345021700732
Energy: 1.0428351978502461
Energy: 0.9693634721011221
Energy: 1.006108209027111
Energy: 0.9357734277382135
Energy: 1.006108209027963
Energy: 0.969363472097715
Energy: 1.006108209027111
Energy: 1.0458371550321066
Energy: 1.0429802783116506
Energy: 0.9649000494948686
Energy: 1.0429802783107989
Energy: 1.0458371550321066
Energy: 1.0429802783125024
Energy: 1.0520434321692398
Energy: 1.419938376261687
Energy: 1.0724290021699694
Energy: 1.419938376261687
Energy: 1.0520434321700918
Energy: 1.4199383762608353
Energy: 0.95358463574046
Energy: 0.9538816579142632
Energy: 1.1926130582384955
Energy: 0.9538816579125596
Energy: 0.9535846357413118
Energy: 0.9538816579134114
Energy: 0.9646521740559452
Energy: 1.06576704745739
Energy: 0.9413421931736118
Energy: 1.065767047458242
Energy: 0.9646521740559452
Energy: 1.06576704745739
Energy: 1.347299131267611
Energy: 1.046800968926966
Energy: 1.072591997257772
Energy: 1.0468009689261142
Energy: 1.347299131267611
Energy: 1.0468009689261142
Energy: 1.3719103274037325
Energy: 1.158536946623401
Energy: 0.9410785296320229
Energy: 1.1585369466225492
Energy: 1.3719103274037325
Energy: 1.1585369466225492
Energy: 0.9540512534573968
Energy: 1.001135970848421
Energy: 0.940967135838742
Energy: 1.001135970848421
Energy: 0.9540512534582487
Energy: 1.001135970848421
Energy: 0.96185767276491
Energy: 1.247758163544143
Energy: 1.0708399482977595
Energy: 1.2477581635543646
Energy: 0.9618576727657617
Energy: 1.2477581635484023
Energy: 1.042268204755962
Energy: 1.120936134589779
Energy: 1.0705513103412203
Energy: 1.120936134589779
Energy: 1.04226820475511
Energy: 1.120936134589779
Energy: 1.042232761594689
Energy: 1.1361399862359276
Energy: 0.9344070084351229
Energy: 1.1361399862359276
Energy: 1.042232761594689
Energy: 1.1361399862359276
Energy: 1.0423378524499898
Energy: 1.2694103211642895
Energy: 0.9341559040232023
Energy: 1.2694103211642895
Energy: 1.0423378524568039
Energy: 1.2694103211642895
Energy: 1.0420720315809961
Energy: 1.0836166978718922
Energy: 1.0707960987895793
Energy: 1.0836166978710402
Energy: 1.0420720315818477
Energy: 1.0836166978710402
Energy: 0.9579371089842512
Energy: 1.1585719192214632
Energy: 1.070951668329654
Energy: 1.1585719192214632
Energy: 0.9579371089842512
Energy: 1.1585719192214632
Energy: 0.9542205749775301
Energy: 1.1413178940472513
Energy: 0.940707475900633
Energy: 1.1413178940472513
Energy: 0.9542205749775301
Energy: 1.1413178940472513
Energy: 1.4061896489251513
Energy: 1.070069274180941
Energy: 0.9412552331301515
Energy: 1.070069274180941
Energy: 1.4061896489242998
Energy: 1.0700692741800892
Energy: 1.4888069946863163
Energy: 1.1655709643861347
Energy: 1.0654870367270535
Energy: 1.1655709643869865
Energy: 1.4888069946863163
Energy: 1.1655709643869865
Energy: 0.957906105392089
Energy: 0.9599498922991945
Energy: 0.9413520726448554
Energy: 0.9599498922983426
Energy: 0.9579061053912371
Energy: 0.9599498922983426
Energy: 0.9539006338518726
Energy: 1.0706096629511106
Energy: 1.2762475821114676
Energy: 1.0706096629511106
Energy: 0.9539006338518726
Energy: 1.0706096629511106
Energy: 0.9572469551167657
Energy: 1.0850286491426522
Energy: 1.0710966974659817
Energy: 1.0850286491418002
Energy: 0.9572469551176174
Energy: 1.0850286491418002
Energy: 1.0426592397360988
Energy: 1.2953827773968296
Energy: 1.0161956703532222
Energy: 1.2953827773968296
Energy: 1.0426592397360988
Energy: 1.2953827773976812
Energy: 0.9487698206685028
Energy: 0.9597783870530829
Energy: 0.9347146377668629
Energy: 0.9597783870539346
Energy: 0.9487698206685028
Energy: 0.9597783870539346
Energy: 1.0425449063410528
Energy: 0.9413066320722613
Energy: 0.9552828279492948
Energy: 0.9413066320722613
Energy: 1.0425449063410528
Energy: 0.9413066320722613
Energy: 1.0187997737447259
Energy: 1.2534149536526338
Energy: 1.075752184032043
Energy: 1.2534149536526338
Energy: 1.0187997737438743
Energy: 1.2534149536526338
Energy: 0.9558390244861013
Energy: 0.9534189622118148
Energy: 0.9482966768249206
Energy: 0.9534189622118148
Energy: 0.9558390244861013
Energy: 0.9534189622118148
Energy: 1.266831980827606
Energy: 1.0681860289922822
Energy: 0.9441979711730458
Energy: 1.0681860289922822
Energy: 1.266831980827606
Energy: 1.0681860289922822
Energy: 1.3479320071038667
Energy: 1.3496000914843467
Energy: 0.9861774663382739
Energy: 1.3496000914843467
Energy: 1.3479320071038667
Energy: 1.3496000914843467
Energy: 0.9519012262698785
Energy: 1.0666705272666563
Energy: 0.9414980274189445
Energy: 1.0666705272675079
Energy: 0.9519012262707304
Energy: 1.0666705272675079

minimum gb energy = 0.9341559040232023 eV
minimum distance =  2.22904959709786 Angstroms
sigma value = 67


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

Energy: 1.101674980179998
Energy: 1.3051066033372163
Energy: 1.3661218161184008
Energy: 1.3051066033881362
Energy: 1.101674980179998
Energy: 1.3051066033262932
Energy: 1.2540132288761772
Energy: 1.0345626683376574
Energy: 0.908622431411934
Energy: 1.0345626683364437
Energy: 1.2540132288773906
Energy: 1.0345626683376574
Energy: 0.9035413438265338
Energy: 0.9710440957132807
Energy: 1.0770094384883544
Energy: 0.9710440957132807
Energy: 0.9035413438265338
Energy: 0.9710440957132807
Energy: 1.2348958756431263
Energy: 1.3303511337703144
Energy: 1.0295403496382103
Energy: 1.330351133776383
Energy: 1.2348958756431263
Energy: 1.3303511337715281
Energy: 1.0339101622038454
Energy: 1.3305505707766616
Energy: 1.2628703243866268
Energy: 1.3305505707305967
Energy: 1.0339101622038454
Energy: 1.3305505707366652
Energy: 1.0286165996713637
Energy: 0.9017377872719746
Energy: 0.8998297119637548
Energy: 0.901737787270761
Energy: 1.0286165996701497
Energy: 0.9017377872719746
Energy: 1.037757921667382
Energy: 1.0352762878575836
Energy: 0.9026641341182313
Energy: 1.0352762878575836
Energy: 1.037757921667382
Energy: 1.0352762878575836
Energy: 1.0390785146325903
Energy: 1.4774335236310168
Energy: 1.4241056012387157
Energy: 1.4774335236322305
Energy: 1.0390785146338037
Energy: 1.4774335236322305
Energy: 1.047268365991209
Energy: 0.9026025548088606
Energy: 1.4248296830694875
Energy: 0.9026025548088606
Energy: 1.047268365991209
Energy: 0.902602554807647
Energy: 1.033646293115006
Energy: 1.034546648523774
Energy: 0.9087417329665468
Energy: 1.0345466486851396
Energy: 1.033646293100442
Energy: 1.0345466486669341
Energy: 1.0278073439438027
Energy: 1.2417870407132603
Energy: 0.9024070674132232
Energy: 1.2417870407132603
Energy: 1.0278073439438027
Energy: 1.2417870407132603
Energy: 1.0278409291879822
Energy: 0.9810878388149968
Energy: 1.028427399499397
Energy: 0.9810878388162105
Energy: 1.0278409291879822
Energy: 0.9810878388162105
Energy: 0.9024926612850265
Energy: 1.1358301862624507
Energy: 1.0274831209892916
Energy: 1.1358301862624507
Energy: 0.9024926612838128
Energy: 1.1358301862612368
Energy: 0.903927928751806
Energy: 1.0946700070525328
Energy: 1.0379407195978847
Energy: 1.0946700070537465
Energy: 0.903927928751806
Energy: 1.0946700070537465
Energy: 1.4168638389839812
Energy: 1.3546162241472435
Energy: 1.0473920918361816
Energy: 1.3546162241472435
Energy: 1.4168638389827675
Energy: 1.3546162241460298
Energy: 1.5996086727067562
Energy: 1.3755070614077378
Energy: 1.0402463737557284
Energy: 1.375507061427157
Energy: 1.5996086727067562
Energy: 1.3755070614295843
Energy: 0.902646853318924
Energy: 1.0342764633830146
Energy: 1.0380144185099671
Energy: 1.034276463381801
Energy: 0.9026468533201377
Energy: 1.0342764633842283
Energy: 0.9025671125861237
Energy: 0.9015026120210817
Energy: 1.0273822726557214
Energy: 0.9015026120186543
Energy: 0.9025671125861237
Energy: 0.9015026120174406
Energy: 1.09136129448422
Energy: 1.3292461678548124
Energy: 1.033879790514606
Energy: 1.3292461678548124
Energy: 1.0913612944854336
Energy: 1.3292461678548124
Energy: 1.0297817416104618
Energy: 1.3294428955165147
Energy: 1.2441277406897524
Energy: 1.3294428955335063
Energy: 1.0297817416104618
Energy: 1.329442895518942
Energy: 1.0703726806937193
Energy: 1.0945427660576528
Energy: 0.9033646302200398
Energy: 1.0945427660564389
Energy: 1.0703726806925058
Energy: 1.0945427660576528
Energy: 0.9117420276298028
Energy: 1.0337339318771603
Energy: 1.2360488544521429
Energy: 1.0337339318771603
Energy: 0.9117420276298028
Energy: 1.033733931878374
Energy: 1.1360025399544613
Energy: 1.4237604770229177
Energy: 0.9570890760948716
Energy: 1.4237604770229177
Energy: 1.1360025399544613
Energy: 1.4237604770229177

minimum gb energy = 0.8998297119637548 eV
minimum distance =  2.24223727449503 Angstroms
sigma value = 33


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

Energy: 1.1711418484002565
Energy: 1.49239008590658
Energy: 1.3243993788105817
Energy: 1.4923900859081196
Energy: 1.1711418484002565
Energy: 1.49239008590658
Energy: 1.2444655598142855
Energy: 1.1664522230175496
Energy: 0.8184179287953535
Energy: 1.1664522230190892
Energy: 1.2444655598127807
Energy: 1.1664522230198593
Energy: 0.8253971643262527
Energy: 0.9085760704397676
Energy: 1.240609638551776
Energy: 0.9085760704397676
Energy: 0.8253971643262527
Energy: 0.9085760704397676
Energy: 0.9094903880994053
Energy: 1.134188590324649
Energy: 0.8343662061104538
Energy: 1.1341885903231093
Energy: 0.9094903880986352
Energy: 1.1341885903238789
Energy: 1.1412719990474889
Energy: 1.496722506393556
Energy: 1.1392634691350518
Energy: 1.496722506393556
Energy: 1.1412719990474889
Energy: 1.496722506393556
Energy: 1.1424740910479052
Energy: 0.8429341777550672
Energy: 0.8297114357931366
Energy: 0.8429341777550672
Energy: 1.1424740910471354
Energy: 0.9348411803142734
Energy: 0.8264131557443224
Energy: 0.8419841026765602
Energy: 0.8546609441684281
Energy: 0.8419841026773301
Energy: 0.8264131557435523
Energy: 0.8419841026765602
Energy: 0.8411070787382955
Energy: 1.2165845877070947
Energy: 1.148611027351838
Energy: 1.21658458770636
Energy: 0.8411070787375255
Energy: 1.2165845877070947
Energy: 1.1365897815149786
Energy: 1.067890263155195
Energy: 1.1420900462193002
Energy: 1.0678902631559652
Energy: 1.1365897815165185
Energy: 1.0678902631559652
Energy: 0.8437936606860593
Energy: 1.008389534225743
Energy: 0.829036515415007
Energy: 1.008389534225743
Energy: 0.8437936606860593
Energy: 1.008389534225743
Energy: 0.8194081143658266
Energy: 1.2368682148569394
Energy: 0.8485586710331903
Energy: 1.2368682148561696
Energy: 0.8194081143650568
Energy: 1.2368682148569394
Energy: 0.8262825243629608
Energy: 0.9082049649096051
Energy: 1.2454093853034582
Energy: 0.9082049649096051
Energy: 0.8262825243629608
Energy: 0.9082049649088351
Energy: 1.1500428375872906
Energy: 1.3618108797197381
Energy: 1.1707669707176835
Energy: 1.361810879712809
Energy: 1.1500428375880605
Energy: 1.3618108797212782
Energy: 0.8186097688120535
Energy: 1.1674452590016975
Energy: 0.8329053619416961
Energy: 1.1674452590009277
Energy: 0.8186097688128234
Energy: 1.1674452590009277
Energy: 1.1382102229797448
Energy: 0.9085049465582613
Energy: 0.8212005821746609
Energy: 0.9085049465574914
Energy: 1.1382102229774351
Energy: 0.9085049465574914
Energy: 0.8343390170077228
Energy: 1.1344498210211675
Energy: 1.2446357706187265
Energy: 1.1344498210211675
Energy: 0.8343390170077228
Energy: 1.1344498210211675
Energy: 1.2804893034560487
Energy: 1.49809832424891
Energy: 1.131954095395271
Energy: 1.4980983242496804
Energy: 1.280489303455279
Energy: 1.49809832424737
Energy: 0.8222555610706351
Energy: 0.8414300499948999
Energy: 1.0122132852422594
Energy: 0.8414300499964397
Energy: 0.8222555610706351
Energy: 0.8414300499956697
Energy: 1.0381895097574152
Energy: 0.8411776906108005
Energy: 0.8215455812165497
Energy: 0.8411776906115703
Energy: 1.038189509756645
Energy: 0.8411776906108005
Energy: 1.1344143597653062
Energy: 1.4966270328207638
Energy: 0.8439059377049575
Energy: 1.4966270328215339
Energy: 1.1344143597653062
Energy: 1.4966270328215339
Energy: 1.2510624411178184
Energy: 1.311985269658681
Energy: 0.8371079072981601
Energy: 1.3119852696579108
Energy: 1.2510624411178184
Energy: 1.311985269658681
Energy: 0.8221491767474336
Energy: 0.8415127126222613
Energy: 1.1372122192365561
Energy: 0.8415127126222613
Energy: 0.8221491767474336
Energy: 0.8415127126222613
Energy: 0.8431217913764624
Energy: 1.1684356425356954
Energy: 0.821552392418729
Energy: 1.1684356425333855
Energy: 0.8431217913764624
Energy: 1.1684356425433948
Energy: 1.1878905184754875
Energy: 1.0508485057966284
Energy: 0.8181205116077429
Energy: 1.0496160842262552
Energy: 1.1878905184754875
Energy: 1.0508485057973984
Energy: 1.241513297022553
Energy: 0.9076159255392486
Energy: 0.8187552097471839
Energy: 0.9076159255384786
Energy: 1.241513297022553
Energy: 0.9076159255392486
Energy: 0.8438948655908577
Energy: 1.2793726795627696
Energy: 0.8266517545199557
Energy: 1.2793726795619997
Energy: 0.8438948655908577
Energy: 1.2793726795619997
Energy: 0.8254051434224617
Energy: 1.0089213970011552
Energy: 1.1385704234875185
Energy: 1.0089213970019253
Energy: 0.8254051434224617
Energy: 1.0089213970019253
Energy: 1.1422800643224773
Energy: 1.05156948556474
Energy: 0.8422908612777051
Energy: 1.05156948556474
Energy: 1.1422800643224773
Energy: 1.0515694855639697
Energy: 1.141282270300776
Energy: 1.3873941311541915
Energy: 0.8414575666357152
Energy: 1.3873941311549616
Energy: 1.141282270300776
Energy: 1.3873941311541915
Energy: 0.8408652790583296
Energy: 0.8412867731861264
Energy: 0.822669676310523
Energy: 0.8412867731861264
Energy: 0.8408652790575598
Energy: 0.8412867731861264
Energy: 0.8255484458758414
Energy: 1.0293211155925923
Energy: 1.2507230491605363
Energy: 1.0293211155933624
Energy: 0.8255484458750716
Energy: 1.0293211155925923
Energy: 0.9796797380128531
Energy: 1.4967002215278462
Energy: 1.134357139353159
Energy: 1.4967002215278462
Energy: 0.9796797380536251
Energy: 1.4967002215286163
Energy: 0.8334432818586439
Energy: 1.1374746260225446
Energy: 1.011882767759759
Energy: 1.1374746260217745
Energy: 0.8334432818578739
Energy: 1.1374746260225446
Energy: 1.2403206018985307
Energy: 0.9085310324711585
Energy: 0.8221028866050967
Energy: 0.9085310324711585
Energy: 1.2403206018985307
Energy: 0.9085310324711585
Energy: 0.8175395139713367
Energy: 1.166971086062313
Energy: 1.0477566278971335
Energy: 1.166971086062313
Energy: 0.8175395139721067
Energy: 1.166971086062313
Energy: 1.1513285990741036
Energy: 1.4907474285423155
Energy: 1.1744110374020802
Energy: 1.4907474285423155
Energy: 1.1513285990756432
Energy: 1.4907474285430853
Energy: 0.820712419293599
Energy: 1.3307098555226688
Energy: 1.2475445806354757
Energy: 1.3307098555218988
Energy: 0.820712419293599
Energy: 1.3307098555218988

minimum gb energy = 0.8175395139713367 eV
minimum distance =  2.23764382541907 Angstroms
sigma value = 41


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

Energy: 0.6553816972133504
Energy: 1.5315875518342956
Energy: 1.5042963128595916
Energy: 1.5315875518342956
Energy: 0.6553816972133504
Energy: 1.5315875518342956
Energy: 1.2402288468460891
Energy: 0.6241746383719274
Energy: 0.627437978293597
Energy: 0.6241746383719274
Energy: 1.2402288468460891
Energy: 0.6241746383719274
Energy: 0.6521559736644907
Energy: 0.8831588380070248
Energy: 0.6299470594434359
Energy: 0.8831588380070248
Energy: 0.6521559736644907
Energy: 0.8831588380070248
Energy: 1.293892170179918
Energy: 0.6241777921939579
Energy: 0.6276954619425267
Energy: 0.6241777921939579
Energy: 1.2938921696420003
Energy: 0.6241777921939579
Energy: 0.6526853922433901
Energy: 1.110420465900498
Energy: 0.6289129559980676
Energy: 1.1104205291016531
Energy: 0.6526853922454923
Energy: 1.1104204940844449
Energy: 0.6538604619462427
Energy: 0.6691831147477372
Energy: 0.6276203887042106
Energy: 0.6691831147477372
Energy: 0.6538604619462427
Energy: 0.6691831147477372
Energy: 1.2941868161717973
Energy: 0.6237437674804759
Energy: 0.6275892274132266
Energy: 0.6237437674804759
Energy: 1.2941868161717973
Energy: 0.6237437674804759
Energy: 0.6517511824143457
Energy: 0.624063816432102
Energy: 0.6288932420307235
Energy: 0.624063816432102
Energy: 0.6517511824143457
Energy: 0.624063816432102
Energy: 1.2014652396663306
Energy: 0.6690379296079937
Energy: 0.6275904936273649
Energy: 0.6690379296058915
Energy: 1.2014652396642285
Energy: 0.6690379296058915
Energy: 0.6559216516269497
Energy: 1.1141245044574555
Energy: 0.6298594942074213
Energy: 1.1141245044595578
Energy: 0.6559216516269497
Energy: 1.1141245044595578
Energy: 1.208929513652074
Energy: 0.6240755039927989
Energy: 0.6270498264328555
Energy: 0.6240755039927989
Energy: 1.208929513652074
Energy: 0.6240755039927989
Energy: 0.6509425527869729
Energy: 0.883162982883574
Energy: 1.2175952315717065
Energy: 0.883162982883574
Energy: 0.6509425527869729
Energy: 0.883162982883574
Energy: 1.209296051805071
Energy: 0.6240641697978146
Energy: 0.6270589414525406
Energy: 0.6240641697978146
Energy: 1.209296051802969
Energy: 0.6240641697978146
Energy: 0.6559141888530418
Energy: 1.1096456524968823
Energy: 0.6300213097222537
Energy: 1.1096456524968823
Energy: 0.6559141888530418
Energy: 1.1096456524968823

minimum gb energy = 0.6237437674804759 eV
minimum distance =  2.27406412765279 Angstroms
sigma value = 11


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

Energy: 1.4727680402654457
Energy: 1.687502739121294
Energy: 1.2760004386069514
Energy: 1.6875027391203703
Energy: 1.4727680402654457
Energy: 1.6875027391203703
Energy: 1.0552188968203118
Energy: 1.4593123129294356
Energy: 0.9487787032124931
Energy: 1.4593123129294356
Energy: 1.0552188968203118
Energy: 1.4593123129294356
Energy: 0.942939518357926
Energy: 0.9698090010582266
Energy: 0.9487971564903416
Energy: 0.9698090010582266
Energy: 0.942939518357926
Energy: 0.9698090010573033
Energy: 0.9676936404274172
Energy: 1.0690141048537563
Energy: 0.950875038150143
Energy: 1.069014104851909
Energy: 0.9676936404274172
Energy: 1.0690141048528325
Energy: 1.0669956680862573
Energy: 1.039922328434432
Energy: 0.9676953807343543
Energy: 1.0399223284335084
Energy: 1.0669956680862573
Energy: 1.039922328434432
Energy: 0.9875422350531868
Energy: 1.2890915721091496
Energy: 1.0695707753685804
Energy: 1.2890915721091496
Energy: 0.9875422350531868
Energy: 1.2890915721082261
Energy: 0.9675746938905178
Energy: 1.456431998179681
Energy: 0.9878134810954774
Energy: 1.4564319981787783
Energy: 0.9675746938905178
Energy: 1.4564319981787783
Energy: 0.9501798247576368
Energy: 0.9678973973130699
Energy: 0.9447065250388919
Energy: 0.9678973973130699
Energy: 0.9501798247576368
Energy: 0.9678973973139933
Energy: 1.024840724546216
Energy: 1.084302855404973
Energy: 0.9414809656251094
Energy: 1.0843028554040495
Energy: 1.0248407245471396
Energy: 1.0843028554003558
Energy: 0.9493003415720978
Energy: 1.0754005135136993
Energy: 0.97398942596314
Energy: 1.0754005135136993
Energy: 0.9493003415720978
Energy: 1.0754005135136993
Energy: 1.0092259566411466
Energy: 1.3486590415499566
Energy: 0.969377547372708
Energy: 1.3486590415499566
Energy: 1.0092259566411466
Energy: 1.3486590415499566
Energy: 0.948586935360784
Energy: 1.142215801898564
Energy: 0.9709318154214917
Energy: 1.1422158018958146
Energy: 0.948586935360784
Energy: 1.1422158018976614
Energy: 0.9479212504404412
Energy: 0.9686313693705096
Energy: 0.9871022219218268
Energy: 0.9686313693705096
Energy: 0.9479212504404412
Energy: 0.9686313693695862
Energy: 0.9676388394871013
Energy: 1.1132175771817643
Energy: 0.9683936149889524
Energy: 1.1132175771817643
Energy: 0.9676388394880248
Energy: 1.113217577180841
Energy: 0.9505731734554779
Energy: 1.1698801097491849
Energy: 0.9879994326977755
Energy: 1.1698801097482614
Energy: 0.9505731734554779
Energy: 1.1698801097491849
Energy: 1.0813973659619092
Energy: 1.435758762521852
Energy: 0.9888707176803502
Energy: 1.435758762521852
Energy: 1.0813973659609857
Energy: 1.435758762521852
Energy: 0.9888009243878791
Energy: 1.4352536366921538
Energy: 0.9905661956302444
Energy: 1.4352536366930768
Energy: 0.9888009243869557
Energy: 1.4352536366930768
Energy: 0.9884662494919495
Energy: 0.966073766294205
Energy: 0.9489129643084706
Energy: 0.966073766294205
Energy: 0.9884662494919495
Energy: 0.966073766294205
Energy: 0.9680591037921041
Energy: 1.168857177306958
Energy: 0.9674313096253527
Energy: 1.1688571773078815
Energy: 0.9680591037921041
Energy: 1.1688571773078815
Energy: 0.9449732973137958
Energy: 1.2155203977957705
Energy: 0.9477920364326973
Energy: 1.2155203977957705
Energy: 0.9449732973137958
Energy: 1.2155203977957705
Energy: 1.0253834977236416
Energy: 1.0493478939648144
Energy: 0.9484144870404296
Energy: 1.0493478939648144
Energy: 1.0253834977245653
Energy: 1.0493478939648144
Energy: 1.1005006976706952
Energy: 1.2854622944295726
Energy: 1.01220583415439
Energy: 1.2854622944286491
Energy: 1.1005006976716185
Energy: 1.2854622944286491
Energy: 0.9729856585510085
Energy: 1.4619777384288015
Energy: 0.9493619055394362
Energy: 1.4619777384278778
Energy: 0.9729856585510085
Energy: 1.4619777384278778
Energy: 0.9436978522192558
Energy: 1.032806250381897
Energy: 0.9415619669140326
Energy: 1.032806250381897
Energy: 0.9436978522192558
Energy: 1.0328062503809734
Energy: 0.9434865061632881
Energy: 0.968246613579497
Energy: 0.9521615023846445
Energy: 0.968246613581344
Energy: 0.9434865061632881
Energy: 0.9682466135758031
Energy: 0.9883103610927694
Energy: 1.3128092001317138
Energy: 0.9678926244487501
Energy: 1.3128092001317138
Energy: 0.9883103610936929
Energy: 1.3128092001317138
Energy: 1.0669800445293836
Energy: 1.0337964130218285
Energy: 1.0668870057121096
Energy: 1.0337964130255222
Energy: 1.0669800445293836
Energy: 1.0337964130144404
Energy: 0.9681976138795184
Energy: 1.2760963392334124
Energy: 0.986977085683264
Energy: 1.2760963392334124
Energy: 0.9681976138795184
Energy: 1.2760963392334124
Energy: 0.9504969010927302
Energy: 1.0687251190854332
Energy: 0.9673539609053832
Energy: 1.0687251190854332
Energy: 0.9504969010927302
Energy: 1.0687251190854332
Energy: 0.9495464699414345
Energy: 0.9872076218636248
Energy: 0.9431163672221989
Energy: 0.9872076218645482
Energy: 0.9495464699414345
Energy: 0.9872076218645482
Energy: 0.9491162190770935
Energy: 1.4594037742527741
Energy: 1.0232156284301903
Energy: 1.4594037742518506
Energy: 0.9491162190817111
Energy: 1.4594037742527741

minimum gb energy = 0.9414809656251094 eV
minimum distance =  2.24165767493631 Angstroms
sigma value = 57


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

Energy: 1.096059135379789
Energy: 1.096060803207961
Energy: 1.3465533306029174
Energy: 1.096060803207961
Energy: 1.096059135379789
Energy: 1.096060803207961
Energy: 1.0935602046158734
Energy: 1.0579313000559267
Energy: 1.0573671842916945
Energy: 1.0579313000559267
Energy: 1.0935602046158734
Energy: 1.0579313000559267
Energy: 1.0583445972913057
Energy: 1.1567495830619572
Energy: 1.0575264341532642
Energy: 1.1567495830619572
Energy: 1.0583445972913057
Energy: 1.1567495830619572
Energy: 1.0579088073269196
Energy: 1.4467131675055054
Energy: 1.0579293820590248
Energy: 1.4467131675055054
Energy: 1.0579088073269196
Energy: 1.4467131675055054
Energy: 1.0576149821945444
Energy: 1.1566830103536654
Energy: 1.0583523734650995
Energy: 1.1566830103536654
Energy: 1.0576149821945444
Energy: 1.1566830103536654
Energy: 1.0572120525333153
Energy: 1.0581243130284979
Energy: 1.093688784730385
Energy: 1.0581243130284979
Energy: 1.0572120525333153
Energy: 1.0581243130284979
Energy: 1.2234119033586799
Energy: 1.096060803207961
Energy: 1.096059135379789
Energy: 1.096060803207961
Energy: 1.2234119033586799
Energy: 1.0960608032063177
Energy: 1.0573671842916945
Energy: 1.0579313000559267
Energy: 1.0935602046158734
Energy: 1.05793130005757
Energy: 1.0573671842916945
Energy: 1.0579313000559267
Energy: 1.0575264341532642
Energy: 1.1567495830619572
Energy: 1.0583445972896626
Energy: 1.1567495830619572
Energy: 1.0575264341532642
Energy: 1.1567495830619572
Energy: 1.0579293820590248
Energy: 1.201687180416097
Energy: 1.0579088073269196
Energy: 1.2016871803651907
Energy: 1.0579293820590248
Energy: 1.201687180448964
Energy: 1.0583523734650995
Energy: 1.1566830103536654
Energy: 1.0576149821945444
Energy: 1.1566830103536654
Energy: 1.0583523734667426
Energy: 1.1566830103536654
Energy: 1.093688784730385
Energy: 1.0581243130284979
Energy: 1.0572120525349586
Energy: 1.0581243130284979
Energy: 1.093688784730385
Energy: 1.0581243130284979
Energy: 1.096059135379789
Energy: 1.096060803207961
Energy: 1.2234119033586799
Energy: 1.096060803207961
Energy: 1.0960591353781457
Energy: 1.0960608032063177
Energy: 1.0935602046158734
Energy: 1.05793130005757
Energy: 1.0573671842916945
Energy: 1.0579313000559267
Energy: 1.0935602046158734
Energy: 1.05793130005757
Energy: 1.0583445972896626
Energy: 1.1567495830619572
Energy: 1.0575264341532642
Energy: 1.1567495830619572
Energy: 1.0583445972913057
Energy: 1.1567495830619572
Energy: 1.0579088073269196
Energy: 1.1416002754392611
Energy: 1.0579293820590248
Energy: 1.141600275431044
Energy: 1.0579088073269196
Energy: 1.141600275424508
Energy: 1.0576149821945444
Energy: 1.1566830103536654
Energy: 1.0583523734650995
Energy: 1.1566830103536654
Energy: 1.0576149821945444
Energy: 1.1566830103536654

minimum gb energy = 1.0572120525333153 eV
minimum distance =  2.27934395887203 Angstroms
sigma value = 9


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

Energy: 1.2033185703770168
Energy: 1.1659978059933955
Energy: 1.3763145025074088
Energy: 1.1659978059933955
Energy: 1.2033185699612465
Energy: 1.1659978059933955
Energy: 1.0852449389421102
Energy: 1.1325235632868063
Energy: 1.0953014720312062
Energy: 1.1325235632881483
Energy: 1.0852449389421102
Energy: 1.1325235632868063
Energy: 1.0956698091067882
Energy: 1.0963325316917958
Energy: 1.0953871238860493
Energy: 1.0963325316917958
Energy: 1.0956698091067882
Energy: 1.0963325316917958
Energy: 1.0963318632426535
Energy: 1.1750368236365791
Energy: 1.0788953250803701
Energy: 1.1750368236338957
Energy: 1.0963318632426535
Energy: 1.1750368236338957
Energy: 1.027596488913716
Energy: 1.2628728648295922
Energy: 1.0693293178799983
Energy: 1.2628728648282501
Energy: 1.027596488913716
Energy: 1.2628728648282501
Energy: 1.0966359105406165
Energy: 1.1245176934010646
Energy: 1.108013405193809
Energy: 1.124517693397039
Energy: 1.0966359105406165
Energy: 1.1245176933956975
Energy: 1.0972654308184076
Energy: 1.1661337677793484
Energy: 1.0951854316913117
Energy: 1.1661337677806902
Energy: 1.097265430817066
Energy: 1.1661337677806902
Energy: 1.0739977666829625
Energy: 1.1390947188003384
Energy: 1.0955047964851332
Energy: 1.1390947188003384
Energy: 1.0739977666829625
Energy: 1.1390947188003384
Energy: 1.0237416264674637
Energy: 1.1277637899407682
Energy: 1.072859582513921
Energy: 1.1277637899407682
Energy: 1.0237416264674637
Energy: 1.1277637899407682
Energy: 1.089907633242369
Energy: 1.3308818223553065
Energy: 1.0953489686349958
Energy: 1.330881822356648
Energy: 1.089907633243711
Energy: 1.3308818223553065
Energy: 1.0975429314555691
Energy: 1.264578840644132
Energy: 1.0825674308703914
Energy: 1.2645788406427902
Energy: 1.0975429314555691
Energy: 1.2645788406427902
Energy: 1.0961370512323036
Energy: 1.202682165946262
Energy: 1.1066553275407436
Energy: 1.202682165946262
Energy: 1.0961370512323036
Energy: 1.202682165946262
Energy: 1.0978708327043167
Energy: 1.219315017675361
Energy: 1.0735573493013428
Energy: 1.2193150176740193
Energy: 1.0978708327056586
Energy: 1.2193150176740193
Energy: 1.0961973146392288
Energy: 1.0977273261448157
Energy: 1.0813196984825133
Energy: 1.097727326143474
Energy: 1.0961973146392288
Energy: 1.0977273261448157
Energy: 1.1394581339456935
Energy: 1.1678171795582406
Energy: 1.1208056150070913
Energy: 1.1678171795568986
Energy: 1.1394581339443517
Energy: 1.1678171795568986
Energy: 1.1180614409632361
Energy: 1.155031872130687
Energy: 1.0808233476677307
Energy: 1.155031872130687
Energy: 1.1180614409645775
Energy: 1.155031872130687
Energy: 1.111255408249773
Energy: 1.2172818036962985
Energy: 1.0818891856249868
Energy: 1.2172818036949569
Energy: 1.111255408249773
Energy: 1.2172818036949569
Energy: 1.1534010247396664
Energy: 1.2765726964672661
Energy: 1.094738928390712
Energy: 1.2765726964672661
Energy: 1.1534010247396664
Energy: 1.2765726964672661
Energy: 1.0963785491547102
Energy: 1.0967449484144258
Energy: 1.0729483848511157
Energy: 1.0967449484130838
Energy: 1.0963785491547102
Energy: 1.0967449484144258
Energy: 1.09554124834573
Energy: 1.1638615621136414
Energy: 1.0664390792945446
Energy: 1.1638615620975403
Energy: 1.09554124834573
Energy: 1.1638615621364519
Energy: 1.096469373626963
Energy: 1.2339557825297558
Energy: 1.0779143289447666
Energy: 1.2339557825297558
Energy: 1.096469373625621
Energy: 1.2339557825297558

minimum gb energy = 1.0237416264674637 eV
minimum distance =  2.27599988394979 Angstroms
sigma value = 27


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

Energy: 1.2005716497538046
Energy: 1.0669408082096825
Energy: 1.2710952200660082
Energy: 1.0669408081644671
Energy: 1.2005716497538046
Energy: 1.066940808029926
Energy: 1.0535590124880898
Energy: 1.2244185506714156
Energy: 1.054046995873509
Energy: 1.2244185505708056
Energy: 1.0535590124880898
Energy: 1.2244185506974292
Energy: 1.069678117052807
Energy: 1.0698701331191762
Energy: 1.0536789320638886
Energy: 1.0698701331191762
Energy: 1.069678117052807
Energy: 1.0698701331191762
Energy: 1.0568897199955134
Energy: 1.2225992187499892
Energy: 1.0786148813980672
Energy: 1.2225992187488584
Energy: 1.0568897199955134
Energy: 1.2225992187488584
Energy: 1.055225447473136
Energy: 1.308516239735222
Energy: 1.0528067785119632
Energy: 1.308516239735222
Energy: 1.055225447473136
Energy: 1.308516239735222
Energy: 1.0738454220949458
Energy: 1.0771347397823052
Energy: 1.117099906778519
Energy: 1.0771347397823052
Energy: 1.0738454220949458
Energy: 1.0771347397811744
Energy: 1.0566139119564244
Energy: 1.224208298241826
Energy: 1.053835102117368
Energy: 1.224208298241826
Energy: 1.0566139119564244
Energy: 1.224208298241826
Energy: 1.0527773241112095
Energy: 1.1536995263702137
Energy: 1.0531689843763505
Energy: 1.1536995263713448
Energy: 1.0527773241112095
Energy: 1.1536995263702137
Energy: 1.1522558299108563
Energy: 1.1973187126371525
Energy: 1.1704237292079094
Energy: 1.1973187126371525
Energy: 1.1522558299119876
Energy: 1.1973187126371525
Energy: 1.0534067852524396
Energy: 1.2672549881849815
Energy: 1.0985344881088577
Energy: 1.2672549881838502
Energy: 1.0534067852524396
Energy: 1.2672549881849815
Energy: 1.0533440396119484
Energy: 1.266773403593878
Energy: 1.0989527746529535
Energy: 1.266773403593878
Energy: 1.0533440396119484
Energy: 1.266773403593878
Energy: 1.1524038549600735
Energy: 1.1973653249419158
Energy: 1.1705095920763682
Energy: 1.1973653249407847
Energy: 1.1524038549600735
Energy: 1.1973653249407847
Energy: 1.0527920312560604
Energy: 1.1534219407570323
Energy: 1.05313871127833
Energy: 1.1534219407570323
Energy: 1.052792031254929
Energy: 1.1534219407570323
Energy: 1.0563655903793474
Energy: 1.2242381072070676
Energy: 1.0534681625329696
Energy: 1.2242381072059367
Energy: 1.0563655903793474
Energy: 1.2242381072059367
Energy: 1.0739614127459722
Energy: 1.0762506414424067
Energy: 1.1171102040639378
Energy: 1.0762506414424067
Energy: 1.0739614127459722
Energy: 1.0762506414424067
Energy: 1.0551907059080599
Energy: 1.308516239734091
Energy: 1.0532825696735348
Energy: 1.308516239735222
Energy: 1.0551907059080599
Energy: 1.308516239734091
Energy: 1.0568991895812758
Energy: 1.222568876264802
Energy: 1.0798218430324777
Energy: 1.222568876264802
Energy: 1.0568991895812758
Energy: 1.222568876264802
Energy: 1.0696554806995802
Energy: 1.0698966573139275
Energy: 1.0541989632058113
Energy: 1.0698966573139275
Energy: 1.0696554806995802
Energy: 1.0698966573139275
Energy: 1.0535474776026834
Energy: 1.2242999821608005
Energy: 1.0536630422942495
Energy: 1.2242999821608005
Energy: 1.0535474776026834
Energy: 1.2242999821619314
Energy: 1.2005716497538046
Energy: 1.0669408082187308
Energy: 1.2068013231189336
Energy: 1.0669408081316671
Energy: 1.2005716497538046
Energy: 1.0669408081045482
Energy: 1.0535590124880898
Energy: 1.22441855096083
Energy: 1.054046995873509
Energy: 1.22441855086022
Energy: 1.0535590124880898
Energy: 1.2244185509732715
Energy: 1.069678117052807
Energy: 1.0698701331191762
Energy: 1.0536789320638886
Energy: 1.0698701331191762
Energy: 1.069678117052807
Energy: 1.069870133120307
Energy: 1.0568897199955134
Energy: 1.2225992187499892
Energy: 1.0786148813991983
Energy: 1.2225992187488584
Energy: 1.0568897199955134
Energy: 1.2225992187499892
Energy: 1.055225447473136
Energy: 1.308516239735222
Energy: 1.0528067785119632
Energy: 1.308516239735222
Energy: 1.055225447473136
Energy: 1.308516239735222
Energy: 1.0738454220960767
Energy: 1.0771347397823052
Energy: 1.117099906778519
Energy: 1.0771347397823052
Energy: 1.0738454220949458
Energy: 1.0771347397823052

minimum gb energy = 1.0527773241112095 eV
minimum distance =  2.30048326150083 Angstroms
sigma value = 19


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

Energy: 1.2140217997069827
Energy: 1.0696261323883338
Energy: 1.1288105594251174
Energy: 1.0696261323883338
Energy: 1.2140217997069827
Energy: 1.0696261323883338
Energy: 1.1211130919564471
Energy: 1.132538387337334
Energy: 1.0360075442921208
Energy: 1.132538387337334
Energy: 1.1211130919554708
Energy: 1.1325383873383104
Energy: 1.0384326095022858
Energy: 1.2052885587955349
Energy: 1.0362568684036704
Energy: 1.2052885587965112
Energy: 1.0384326095022858
Energy: 1.2052885587955349
Energy: 1.0406018569550652
Energy: 1.2029215193098182
Energy: 1.0522662627473383
Energy: 1.2029215193098182
Energy: 1.040601856954089
Energy: 1.2029215193098182
Energy: 1.0377522384958764
Energy: 1.0422453628654345
Energy: 1.048433797129422
Energy: 1.0422453628654345
Energy: 1.0377522384958764
Energy: 1.0422453628664108
Energy: 1.0374556737389984
Energy: 1.1722372056489148
Energy: 1.0497904920327854
Energy: 1.1722372056489148
Energy: 1.0374556737389984
Energy: 1.1722372056479384
Energy: 1.0193709207223547
Energy: 1.2139231362974119
Energy: 1.0483077895356623
Energy: 1.2139231362974119
Energy: 1.0193709207223547
Energy: 1.2139231362974119
Energy: 1.0347028178349593
Energy: 1.1632462695658015
Energy: 1.049706691790418
Energy: 1.1632462695658015
Energy: 1.0347028178349593
Energy: 1.1632462695658015
Energy: 1.0432653167979753
Energy: 1.189386222889381
Energy: 1.0913006299411772
Energy: 1.189386222889381
Energy: 1.0432653167979753
Energy: 1.189386222889381
Energy: 1.037161460395542
Energy: 1.1225103734809705
Energy: 1.0365061602171983
Energy: 1.1225103734799944
Energy: 1.037161460395542
Energy: 1.1225103734799944
Energy: 1.0312401830386133
Energy: 1.2075342373979256
Energy: 1.0363164275324859
Energy: 1.2075342373979256
Energy: 1.0312401830395896
Energy: 1.2075342373979256
Energy: 1.0456533362834324
Energy: 1.064992329514693
Energy: 1.0288357909331927
Energy: 1.064992329514693
Energy: 1.0456533362834324
Energy: 1.064992329514693
Energy: 1.0459310731198768
Energy: 1.017408994720986
Energy: 1.0314436767533994
Energy: 1.017408994720986
Energy: 1.0459310731198768
Energy: 1.017408994720986
Energy: 1.044332425128627
Energy: 1.2119430091390224
Energy: 1.0899648460558278
Energy: 1.2119430091390224
Energy: 1.0443324251296033
Energy: 1.2119430091390224
Energy: 1.046031438344994
Energy: 1.2183469029116856
Energy: 1.0354019743963183
Energy: 1.2183469029116856
Energy: 1.0460314383440177
Energy: 1.2183469029116856
Energy: 1.0461510133232743
Energy: 1.041171533643737
Energy: 1.016892474488011
Energy: 1.041171533643737
Energy: 1.0461510133232743
Energy: 1.041171533643737
Energy: 1.0375894990514332
Energy: 1.1707144997957946
Energy: 1.0351364461245105
Energy: 1.1707144997957946
Energy: 1.0375894990514332
Energy: 1.1707144997957946
Energy: 1.0328240985681987
Energy: 1.1032833900651982
Energy: 1.0167317822808124
Energy: 1.1032833900651982
Energy: 1.0328240985681987
Energy: 1.1032833900651982
Energy: 1.0374221014371003
Energy: 1.1646945375748663
Energy: 1.035248021523952
Energy: 1.1646945375748663
Energy: 1.037422101436124
Energy: 1.1646945375748663
Energy: 1.0461357216790996
Energy: 1.1798700925235726
Energy: 1.016989646299505
Energy: 1.1798700925235726
Energy: 1.0461357216790996
Energy: 1.1798700925245487
Energy: 1.0410502913700848
Energy: 1.2007998408613778
Energy: 1.03336642618079
Energy: 1.2007998408613778
Energy: 1.0410502913700848
Energy: 1.2007998408613778
Energy: 1.049682352556223
Energy: 1.2039103122746821
Energy: 1.0891516674361226
Energy: 1.2039103122746821
Energy: 1.049682352556223
Energy: 1.2039103122746821
Energy: 1.0750106747315311
Energy: 1.036673536640768
Energy: 1.0363427327129684
Energy: 1.036673536640768
Energy: 1.0750106747315311
Energy: 1.036673536640768
Energy: 1.0749852873836223
Energy: 1.2696469434222895
Energy: 1.0304934702126236
Energy: 1.2696469434222895
Energy: 1.0749852873845986
Energy: 1.2696469434222895
Energy: 1.1280882601557027
Energy: 1.2035583270152665
Energy: 1.0569018919310242
Energy: 1.2035583270152665
Energy: 1.1280882601566788
Energy: 1.2035583270152665
Energy: 1.0369410490117814
Energy: 1.0426587514795678
Energy: 1.0364788274385028
Energy: 1.0426587514795678
Energy: 1.0369410490117814
Energy: 1.0426587514795678
Energy: 1.0431774011410408
Energy: 1.1949264133332897
Energy: 1.0764025349029946
Energy: 1.1949264133323136
Energy: 1.0431774011410408
Energy: 1.1949264133323136
Energy: 1.0232909373889167
Energy: 1.162920623350153
Energy: 1.049674494424272
Energy: 1.162920623350153
Energy: 1.0232909373889167
Energy: 1.162920623350153
Energy: 1.019666529599916
Energy: 1.2194960851054597
Energy: 1.0483270700771816
Energy: 1.2194960851054597
Energy: 1.019666529599916
Energy: 1.2194960851054597

minimum gb energy = 1.0167317822808124 eV
minimum distance =  2.26938502872228 Angstroms
sigma value = 101


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

Energy: 1.3608827032049755
Energy: 1.1799642449575598
Energy: 1.1384678236718284
Energy: 1.1799642449575598
Energy: 1.3608827032049755
Energy: 1.1799642449575598
Energy: 1.0141266832110596
Energy: 1.1041953296450087
Energy: 1.013509608540567
Energy: 1.1041953296458666
Energy: 1.0141266832110596
Energy: 1.1041953296450087
Energy: 1.008279484034154
Energy: 1.1508853819451985
Energy: 1.040652247331368
Energy: 1.1508853819443403
Energy: 1.008279484034154
Energy: 1.1508853819451985
Energy: 1.019318195748649
Energy: 1.1614134403678693
Energy: 1.0076881031815155
Energy: 1.1614134403678693
Energy: 1.019318195748649
Energy: 1.1614134403678693
Energy: 0.991803708763213
Energy: 1.1034860295874886
Energy: 1.0080470732735858
Energy: 1.1034860295866304
Energy: 0.991803708763213
Energy: 1.1034860295874886
Energy: 1.0089784786112268
Energy: 1.1290245500669183
Energy: 0.9924687123366669
Energy: 1.1290245500669183
Energy: 1.0089784786103688
Energy: 1.1290245500669183
Energy: 1.0078362000260834
Energy: 1.1904523626709007
Energy: 0.9913172357742536
Energy: 1.190452362671759
Energy: 1.0078362000260834
Energy: 1.190452362671759
Energy: 1.0080724027092052
Energy: 1.1600660734171986
Energy: 1.009235925738219
Energy: 1.1600660734180568
Energy: 1.0080724027092052
Energy: 1.1600660734180568
Energy: 0.9912719456267288
Energy: 1.113456402602514
Energy: 1.0089425894236868
Energy: 1.113456402602514
Energy: 0.9912719456267288
Energy: 1.113456402602514
Energy: 0.992738680584521
Energy: 1.1248189648974989
Energy: 0.9926410778138655
Energy: 1.1248189648974989
Energy: 0.992738680584521
Energy: 1.1248189648966407
Energy: 1.0629594196025827
Energy: 1.1147117522897787
Energy: 1.199164622615233
Energy: 1.1147117522897787
Energy: 1.0629594196034409
Energy: 1.1147117522897787
Energy: 1.0130809002399157
Energy: 1.0868898062311005
Energy: 0.9919797046828512
Energy: 1.0868901101732975
Energy: 1.0130809002399157
Energy: 1.0868897095092596
Energy: 1.0407931430945758
Energy: 1.1513051879790306
Energy: 1.001443076568593
Energy: 1.1513051879790306
Energy: 1.0407931430954342
Energy: 1.1513051879790306
Energy: 1.0206252055504696
Energy: 1.0197627584120268
Energy: 1.0130806415181206
Energy: 1.0197627584111686
Energy: 1.0206252055496117
Energy: 1.0197627584120268
Energy: 0.9989436121908196
Energy: 1.077486610640508
Energy: 1.013047490534037
Energy: 1.077486610640508
Energy: 0.9989436121899614
Energy: 1.077486610640508
Energy: 1.0397332100600205
Energy: 1.1670517805677032
Energy: 1.009420205859504
Energy: 1.1670517805685612
Energy: 1.0397332100608787
Energy: 1.1670517805677032
Energy: 0.9914942462574334
Energy: 1.1618060602152858
Energy: 1.0198512025608135
Energy: 1.1618060602152858
Energy: 0.9914942462574334
Energy: 1.1618060602144276
Energy: 1.0086465439886483
Energy: 1.0078464130730433
Energy: 0.9916936081077458
Energy: 1.007846413072185
Energy: 1.0086465439886483
Energy: 1.007846413072185
Energy: 1.0075399293648377
Energy: 1.1255730276661617
Energy: 1.007332532321464
Energy: 1.1255730276670197
Energy: 1.0075399293648377
Energy: 1.1255730276670197
Energy: 0.9914879229786148
Energy: 1.1920783779441966
Energy: 0.9915341895575013
Energy: 1.1920783779441966
Energy: 0.9914879229786148
Energy: 1.1920783779433386
Energy: 1.0243915536134784
Energy: 1.0983977610514373
Energy: 1.0076153442643687
Energy: 1.0983977610514373
Energy: 1.0243915536134784
Energy: 1.0983977610514373
Energy: 0.9921145724513956
Energy: 1.112793423998198
Energy: 0.9924242203466818
Energy: 1.112793423998198
Energy: 0.9921145724513956
Energy: 1.112793423998198
Energy: 1.0121615784716727
Energy: 1.1256659714859525
Energy: 0.9911563934499154
Energy: 1.1256659714859525
Energy: 1.0121615784716727
Energy: 1.1256659714859525
Energy: 1.0194236526548652
Energy: 1.1608917548504551
Energy: 1.065195364187786
Energy: 1.1608917548504551
Energy: 1.0194236526548652
Energy: 1.1608917548504551
Energy: 0.9915502864548347
Energy: 1.081766671097763
Energy: 1.0004822494132728
Energy: 1.0817666710969045
Energy: 0.9915502864548347
Energy: 1.081766671097763
Energy: 1.0071495582802596
Energy: 1.150489918841264
Energy: 1.025340225068878
Energy: 1.1504899188421223
Energy: 1.0071495582802596
Energy: 1.1504899188421223
Energy: 1.014191570959575
Energy: 1.019001743056756
Energy: 0.9911762729632269
Energy: 1.019001743056756
Energy: 1.014191570959575
Energy: 1.019001743055898
Energy: 1.0130986124506198
Energy: 0.9920446815588372
Energy: 0.9927681728529737
Energy: 0.9920446815596955
Energy: 1.0130986124497618
Energy: 0.9920446815614119
Energy: 1.0621940798185063
Energy: 1.1522894667663302
Energy: 1.2059271012670707
Energy: 1.1522894667663302
Energy: 1.0621940798185063
Energy: 1.1522894667663302
Energy: 0.9914372361824232
Energy: 1.0977292805747265
Energy: 0.9927150508227818
Energy: 1.0977292805747265
Energy: 0.9914372361824232
Energy: 1.0977292805747265
Energy: 1.0182501042768632
Energy: 1.1586380771458438
Energy: 1.0079147140087203
Energy: 1.1586380771458438
Energy: 1.018250104276005
Energy: 1.1586380771458438
Energy: 1.006956445045083
Energy: 1.1183357229936093
Energy: 0.9926246945649684
Energy: 1.1183357229936093
Energy: 1.0069564450459412
Energy: 1.1183357229936093
Energy: 0.9913519052538257
Energy: 1.0645433523422188
Energy: 1.0079328899124047
Energy: 1.0645433523413605
Energy: 0.9913519052538257
Energy: 1.064543352343077

minimum gb energy = 0.9911563934499154 eV
minimum distance =  2.29325751223949 Angstroms
sigma value = 33


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

Energy: 0.015042786812919292
Energy: 0.015555655574498546
Energy: 1.426731708468461
Energy: 0.01555565554522355
Energy: 0.015042786812919292
Energy: 0.015555655591928855
Energy: 0.015358858068296878
Energy: 0.5707677443852373
Energy: 0.015358858068296878
Energy: 0.5707677443852373
Energy: 0.01535885806758382
Energy: 0.5707677443852373
Energy: 1.4267317084677875
Energy: 0.015555655565426863
Energy: 0.015042786812919292
Energy: 0.015555655575211602
Energy: 1.4267317084677875
Energy: 0.015555655555681735
Energy: 0.01535885806758382
Energy: 0.5707677443852373
Energy: 0.015358858068296878
Energy: 0.5707677443852373
Energy: 0.015358858068296878
Energy: 0.5707677443852373

minimum gb energy = 0.015042786812919292 eV
minimum distance =  2.4381914669103 Angstroms
sigma value = 1