Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.592786550521851
cohesive_energy=3.511869165642938
mass=63.546
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: -1.33896745442359e-24 eV

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

Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.013753496164130108
Energy: 0.829766262959372
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.013753496164130108
Energy: 0.8297662629590897
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.8297662629590897
Energy: 0.01414670080068497
Energy: 0.8297662629590897
Energy: 0.01414670080068497

minimum gb energy = 0.013753496164130108 eV
minimum distance =  2.53733832890047 Angstroms
sigma value = 1


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

Energy: 1.0099170929619976
Energy: 0.9560718120640035
Energy: 1.0099170929619976
Energy: 0.9560718120640035
Energy: 1.0099170929619976
Energy: 0.9560718120640035
Energy: 1.0799317803987163
Energy: 0.8930524177697479
Energy: 1.0799317803987163
Energy: 0.8930524177697479
Energy: 1.0799317803987163
Energy: 0.8930524177697479
Energy: 0.9526272285122508
Energy: 1.0105763657517597
Energy: 0.9526272285122508
Energy: 1.0105763657509954
Energy: 0.9526272285122508
Energy: 1.0105763657517597
Energy: 1.0781850986874464
Energy: 0.9351423630044263
Energy: 1.0781850986866823
Energy: 0.9351423630051906
Energy: 1.0781850986866823
Energy: 0.9351423630051906
Energy: 0.9657106243960739
Energy: 1.0144170566912807
Energy: 0.9657106243960739
Energy: 1.0144170566920447
Energy: 0.9657106243960739
Energy: 1.0144170566912807
Energy: 1.0138646409906578
Energy: 0.9112654375256699
Energy: 1.0138646409914218
Energy: 0.9112654375256699
Energy: 1.0138646409914218
Energy: 0.9112654375256699
Energy: 0.95715902552066
Energy: 0.9927813644439608
Energy: 0.9571590255198957
Energy: 0.9927813644439608
Energy: 0.95715902552066
Energy: 0.9927813644439608
Energy: 0.931522252246862
Energy: 1.0666677764827952
Energy: 0.931522252246862
Energy: 1.0666677764827952
Energy: 0.931522252246862
Energy: 1.0666677764827952
Energy: 1.0361388508951779
Energy: 1.0001204545760978
Energy: 1.036138850895942
Energy: 1.0001204545760978
Energy: 1.0361388508951779
Energy: 1.0001204545760978
Energy: 0.8774131737376556
Energy: 1.0558718418442434
Energy: 0.8774131737368913
Energy: 1.0558718418442434
Energy: 0.8774131737368913
Energy: 1.0558718418442434
Energy: 1.1759732733610926
Energy: 0.9091267389996939
Energy: 1.1759732733610926
Energy: 0.9091267389996939
Energy: 1.1759732733610926
Energy: 0.9091267389996939
Energy: 0.861762456035244
Energy: 0.9525454509707817
Energy: 0.861762456035244
Energy: 0.9525454509707817
Energy: 0.861762456035244
Energy: 0.9525454509700174
Energy: 1.0931959202079558
Energy: 0.8581855128849932
Energy: 1.0931959202079558
Energy: 0.8581855128849932
Energy: 1.0931959202079558
Energy: 0.8581855128849932
Energy: 0.9232417364304659
Energy: 0.9491061523805915
Energy: 0.9232417364304659
Energy: 0.9491061523805915
Energy: 0.9232417364304659
Energy: 0.9491061523805915
Energy: 1.1214087131807402
Energy: 0.8866311453426289
Energy: 1.1214087131807402
Energy: 0.8866311453426289
Energy: 1.1214087131807402
Energy: 0.8866311453426289
Energy: 1.1222150533350321
Energy: 1.0143914493012798
Energy: 1.1222150533350321
Energy: 1.0143914493005153
Energy: 1.1222150533350321
Energy: 1.0143914493005153
Energy: 0.9841612398802752
Energy: 0.9801385943091188
Energy: 0.9841612398802752
Energy: 0.9801385943091188
Energy: 0.9841612398802752
Energy: 0.9801385943091188
Energy: 0.9842421345003076
Energy: 0.937452441320989
Energy: 0.9842421345003076
Energy: 0.937452441320989
Energy: 0.9842421345003076
Energy: 0.937452441320989
Energy: 0.8825984731651786
Energy: 0.9361118835683591
Energy: 0.8825984731651786
Energy: 0.9361118835683591
Energy: 0.8825984731651786
Energy: 0.9361118835683591
Energy: 0.9971984968247528
Energy: 0.911221667802448
Energy: 0.9971984968247528
Energy: 0.911221667802448
Energy: 0.9971984968239885
Energy: 0.911221667802448
Energy: 0.8990548330916769
Energy: 1.0747624970600678
Energy: 0.8990548330916769
Energy: 1.0747624970600678
Energy: 0.8990548330916769
Energy: 1.0747624970600678
Energy: 1.0231289044742116
Energy: 0.9950532581520078
Energy: 1.0231289044742116
Energy: 0.9950532581520078
Energy: 1.0231289044742116
Energy: 0.9950532581520078
Energy: 0.8458413820863304
Energy: 1.0781789371187027
Energy: 0.8458413820870947
Energy: 1.0781789371187027
Energy: 0.8458413820870947
Energy: 1.0781789371187027

minimum gb energy = 0.8458413820863304 eV
minimum distance =  2.3075436239924 Angstroms
sigma value = 33


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

Energy: 1.1507550431659364
Energy: 1.048836368427283
Energy: 1.113650274801414
Energy: 1.0488363684277178
Energy: 1.1507550431659364
Energy: 1.0488363684268485
Energy: 1.1046531929127827
Energy: 0.9409122115007857
Energy: 1.1046531929127827
Energy: 0.9409122115007857
Energy: 1.1046531929123478
Energy: 0.9409122115003511
Energy: 0.9425994686689558
Energy: 0.9431923783217799
Energy: 0.9425994686689558
Energy: 0.9431923783217799
Energy: 0.9425994686689558
Energy: 0.9431923783222148
Energy: 1.0797695986238103
Energy: 1.045461421837887
Energy: 1.0797695986238103
Energy: 1.045461421837887
Energy: 1.0797695986233757
Energy: 1.045461421837887
Energy: 1.0120387383757916
Energy: 0.9847425913964553
Energy: 1.0120387383757916
Energy: 0.9847425913964553
Energy: 1.0120387383757916
Energy: 0.9847425913964553
Energy: 0.9208889429618518
Energy: 0.9417873568567151
Energy: 0.9208889429618518
Energy: 0.9417873568567151
Energy: 0.9208889429618518
Energy: 0.9417873568567151
Energy: 1.08267695154471
Energy: 0.9366772350292131
Energy: 1.0822724821872773
Energy: 0.9366772348980107
Energy: 1.08267695154471
Energy: 0.9366772349410071
Energy: 0.8933782296073943
Energy: 1.1694569619763016
Energy: 0.8933763399767273
Energy: 1.1694569619763016
Energy: 0.8933782296073943
Energy: 1.1694569619763016
Energy: 0.9032152200116113
Energy: 0.9440199955824488
Energy: 0.9032152200116113
Energy: 0.9440199955824488
Energy: 0.9032152200116113
Energy: 0.9440199955824488
Energy: 0.9235985570894457
Energy: 1.1363842649027338
Energy: 0.9235986169380351
Energy: 1.136384264902299
Energy: 0.9235985570894457
Energy: 1.1363842649027338
Energy: 1.1276998993088598
Energy: 0.9237559636440691
Energy: 1.1276998993088598
Energy: 0.9237559636440691
Energy: 1.1276998993088598
Energy: 0.9237559636440691
Energy: 0.9425947689757534
Energy: 0.9218396630550675
Energy: 0.9425943042864706
Energy: 0.9218396630550675
Energy: 0.9425947689757534
Energy: 0.9218396630550675
Energy: 1.116486285986175
Energy: 0.8994548109998999
Energy: 1.116486285986175
Energy: 0.8994548109998999
Energy: 1.11648628598574
Energy: 0.8994548109998999
Energy: 1.1191444999583764
Energy: 1.0508155297847213
Energy: 1.1191444999583764
Energy: 1.0508155297847213
Energy: 1.1191444999583764
Energy: 1.0508155297847213
Energy: 1.0359781981323601
Energy: 0.9445957023470085
Energy: 1.0359781981332294
Energy: 0.9445957023470085
Energy: 1.0359781981319254
Energy: 0.9445957023470085
Energy: 0.9408497405415198
Energy: 0.9398730508985633
Energy: 0.9408497405415198
Energy: 0.9398730508981288
Energy: 0.9408497405419547
Energy: 0.9398730508985633
Energy: 1.084357484823522
Energy: 1.0388880924465551
Energy: 1.0843574848230875
Energy: 1.0388880924465551
Energy: 1.0843574848230875
Energy: 1.0388880924465551
Energy: 1.012153041194985
Energy: 0.941484573402542
Energy: 1.012153041194985
Energy: 0.941484573402542
Energy: 1.012153041194985
Energy: 0.941484573402542
Energy: 0.9223204641257621
Energy: 0.9412494400439044
Energy: 0.9223204641257621
Energy: 0.9412494400434697
Energy: 0.9223204641257621
Energy: 0.9412494400439044
Energy: 1.0790847982631628
Energy: 1.0887543409550198
Energy: 1.079096170565241
Energy: 1.0887543409550198
Energy: 1.0790847982631628
Energy: 1.0887543409550198
Energy: 0.8925027588487822
Energy: 1.10688753449045
Energy: 0.8924872306690315
Energy: 1.10688753449045
Energy: 0.8925027588487822
Energy: 1.10688753449045
Energy: 0.9036580529150305
Energy: 0.9421176943047243
Energy: 0.9036580529150305
Energy: 0.9421176943047243
Energy: 0.9036580529154651
Energy: 0.9421176943047243
Energy: 0.924737525936832
Energy: 1.1323548029171562
Energy: 0.9247380528423931
Energy: 1.1323548029171562
Energy: 0.9247375259372667
Energy: 1.1323548029171562
Energy: 1.1458794802864947
Energy: 1.0121602477919387
Energy: 1.1458794802864947
Energy: 1.0121602477919387
Energy: 1.14587948028606
Energy: 1.0121602477919387
Energy: 0.9410013623012016
Energy: 0.9207459395360574
Energy: 0.9410287527557989
Energy: 0.9207459395360574
Energy: 0.9410013623016361
Energy: 0.9207459395360574
Energy: 1.1579927456099832
Energy: 1.0346765723623035
Energy: 1.1218085086207068
Energy: 1.0346765723623035
Energy: 1.1579927456099832
Energy: 1.0346765723627378
Energy: 1.1539318134644725
Energy: 1.0292395775962697
Energy: 1.1186115033696642
Energy: 1.0292395775962697
Energy: 1.1539318134644725
Energy: 1.0292395775962697
Energy: 0.9419445171268811
Energy: 1.025973957029091
Energy: 0.9419445171268811
Energy: 1.025973957029091
Energy: 0.9419445171268811
Energy: 1.0259739570286561
Energy: 1.132586329679336
Energy: 0.9407307958074429
Energy: 1.1325863296797705
Energy: 0.9407307958070084
Energy: 1.132586329679336
Energy: 0.9407307958074429
Energy: 0.9250276270060416
Energy: 1.1258834668816629
Energy: 0.9250276270060416
Energy: 1.1258834668816629
Energy: 0.9250276270060416
Energy: 1.1258834668816629
Energy: 1.01532345198517
Energy: 0.9440800765406504
Energy: 1.01532345198517
Energy: 0.9440800765406504
Energy: 1.0153234519847354
Energy: 0.9440800765406504
Energy: 0.8976153291755021
Energy: 0.9641994772568773
Energy: 0.8976153291755021
Energy: 0.9641994772577468
Energy: 0.8976153291755021
Energy: 0.964199477257312
Energy: 1.078596672782354
Energy: 1.0887409558524617
Energy: 1.0785794617982318
Energy: 1.0887409558524617
Energy: 1.0785966727827887
Energy: 1.0887409558524617
Energy: 0.9403291025766597
Energy: 1.0360312503365514
Energy: 0.9403291025766597
Energy: 1.0360312503361166
Energy: 0.9403291025766597
Energy: 1.0360312503361166
Energy: 0.9443275484538417
Energy: 0.942002987303576
Energy: 0.9443275484538417
Energy: 0.942002987303576
Energy: 0.9443275484538417
Energy: 0.942002987303576
Energy: 1.041936776370423
Energy: 1.079151652653604
Energy: 1.041936776370423
Energy: 1.079151652653604
Energy: 1.041936776370423
Energy: 1.079151652653604
Energy: 0.941490739265969
Energy: 1.0119471088153613
Energy: 0.9414941418630279
Energy: 1.0119471088153613
Energy: 0.941490739265969
Energy: 1.0119471088153613
Energy: 0.9610083353788983
Energy: 0.9208619621123323
Energy: 0.9610083353788983
Energy: 0.9208619621123323
Energy: 0.9610083353788983
Energy: 0.9208619621123323
Energy: 1.119198342399883
Energy: 1.0550477520601584
Energy: 1.1191983423994483
Energy: 1.0550477520605932
Energy: 1.119198342399883
Energy: 1.0550477520605932
Energy: 1.1646266850250562
Energy: 0.8537847131494102
Energy: 1.164626685025491
Energy: 0.8537847131494102
Energy: 1.164626685025491
Energy: 0.8537847131494102
Energy: 0.9425833249172066
Energy: 0.9013821948923287
Energy: 0.9425833249172066
Energy: 0.9013821948927635
Energy: 0.9425833249172066
Energy: 0.9013821948923287

minimum gb energy = 0.8537847131494102 eV
minimum distance =  2.39944200970204 Angstroms
sigma value = 51


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

Energy: 0.9926557188406482
Energy: 1.0072962518915527
Energy: 0.9926557188406482
Energy: 1.0072962518915527
Energy: 0.9926557188406482
Energy: 1.0072962518915527
Energy: 1.067051478393496
Energy: 0.947193930491636
Energy: 1.067051478393496
Energy: 0.947193930491636
Energy: 1.067051478393496
Energy: 0.947193930491636
Energy: 0.9208291530458025
Energy: 1.0008015815144504
Energy: 0.9208291530458025
Energy: 1.0008015815144504
Energy: 0.9208291530458025
Energy: 1.0008015815154576
Energy: 0.9893717729152463
Energy: 0.8797159770281552
Energy: 0.9893717729162534
Energy: 0.8797159770281552
Energy: 0.9893717729152463
Energy: 0.8797159770281552
Energy: 1.0033271958994685
Energy: 0.9628977384951836
Energy: 1.0033271958994685
Energy: 0.9628977384961908
Energy: 1.0033271958994685
Energy: 0.9628977384951836
Energy: 1.0039445573193813
Energy: 0.9625403563530762
Energy: 1.0039445573193813
Energy: 0.9625403563530762
Energy: 1.0039445573193813
Energy: 0.9625403563530762
Energy: 1.0000574826906778
Energy: 0.9626186164361733
Energy: 1.0000574826906778
Energy: 0.9626186164361733
Energy: 1.0000574826906778
Energy: 0.9626186164361733
Energy: 0.9175640508643612
Energy: 0.9631499263235124
Energy: 0.9175640508643612
Energy: 0.9631499263235124
Energy: 0.9175640508643612
Energy: 0.9631499263235124
Energy: 1.1276318351078707
Energy: 0.8767014244094037
Energy: 1.1276318351078707
Energy: 0.8767014244094037
Energy: 1.1276318351078707
Energy: 0.8767014244094037
Energy: 0.899850045141575
Energy: 1.0192883142229252
Energy: 0.899850045141575
Energy: 1.0192883142229252
Energy: 0.899850045141575
Energy: 1.0192883142229252
Energy: 1.0544618240014094
Energy: 0.8773825667349066
Energy: 1.0544618240014094
Energy: 0.8773825667349066
Energy: 1.0544618240014094
Energy: 0.8773825667349066
Energy: 0.9897862174757618
Energy: 1.0097780054613665
Energy: 0.9897862174757618
Energy: 1.0097780054613665
Energy: 0.9897862174757618
Energy: 1.0097780054613665
Energy: 1.0653655345219852
Energy: 0.9463210700827639
Energy: 1.0653655345219852
Energy: 0.9463210700827639
Energy: 1.0653655345219852
Energy: 0.9463210700827639
Energy: 0.9526686047854763
Energy: 0.9302654725956631
Energy: 0.9526686047854763
Energy: 0.9302654725956631
Energy: 0.9526686047854763
Energy: 0.9302654725956631
Energy: 0.9971210119968525
Energy: 0.9966867912441414
Energy: 0.9971210119968525
Energy: 0.9966867912441414
Energy: 0.9971210119958454
Energy: 0.9966867912441414
Energy: 1.0043426311781571
Energy: 0.9624109137089559
Energy: 1.0043426311771497
Energy: 0.9624109137089559
Energy: 1.0043426311781571
Energy: 0.9624109137089559
Energy: 1.0036701938292598
Energy: 1.0374051328399339
Energy: 1.0036701938292598
Energy: 1.0374051328399339
Energy: 1.0036701938292598
Energy: 1.0374051328399339
Energy: 0.9948692168895192
Energy: 0.966822287208241
Energy: 0.9948692168895192
Energy: 0.966822287208241
Energy: 0.9948692168895192
Energy: 0.966822287208241

minimum gb energy = 0.8767014244094037 eV
minimum distance =  2.30549907361011 Angstroms
sigma value = 19


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

Energy: 0.9315669328054279
Energy: 0.9597676064384555
Energy: 0.8329671335675933
Energy: 0.9597676064384555
Energy: 0.9315669328048304
Energy: 0.9597676064384555
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.9902453341318628
Energy: 0.8947449925594021
Energy: 0.9902453341318628
Energy: 0.89480787201913
Energy: 0.9902453341318628
Energy: 0.8947449925594021
Energy: 0.9242934412681004
Energy: 0.8807245467286975
Energy: 0.9242934412681004
Energy: 0.8315643133300794
Energy: 0.9242934412681004
Energy: 0.8807245467286975
Energy: 0.8231065463201281
Energy: 0.8804961985614193
Energy: 0.8231065463201281
Energy: 0.8316717507491664
Energy: 0.8231065463201281
Energy: 0.8804961985614193
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.8948242436293562
Energy: 0.9928366643205444
Energy: 0.8948327322301789
Energy: 0.9928366643205444
Energy: 0.8948242436293562
Energy: 0.9928366643205444
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.8329671335675933
Energy: 0.9597676064384555
Energy: 0.8329671335675933
Energy: 0.9597676064384555
Energy: 0.8329671335675933
Energy: 0.9597676064384555
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.9902453341318628
Energy: 0.894825380014479
Energy: 0.9902453341318628
Energy: 0.8947552055878717
Energy: 0.9902453341318628
Energy: 0.8948253800150764
Energy: 0.9242934412681004
Energy: 0.8315643133300794
Energy: 0.9242934412681004
Energy: 0.8809287537336963
Energy: 0.9242934412681004
Energy: 0.8315643133300794
Energy: 0.8231065463201281
Energy: 0.8316717507491664
Energy: 0.8231065463201281
Energy: 0.8804685558532209
Energy: 0.8231065463201281
Energy: 0.8316717507491664
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.8948789154981848
Energy: 0.9928366643205444
Energy: 0.8948030753350694
Energy: 0.9928366643205444
Energy: 0.8948789154981848
Energy: 0.9928366643205444
Energy: 0.9264350964147184
Energy: 0.9617819336716554
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.9264350964189005
Energy: 0.9617819336716554
Energy: 0.9315669328048304
Energy: 0.9597676064384555
Energy: 0.8329671335675933
Energy: 0.959767606439053
Energy: 0.9315669328048304
Energy: 0.9597676064384555
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 0.894757862472637
Energy: 0.872634876739246
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.872634876739246
Energy: 0.9902453341318628
Energy: 0.8947449925594021
Energy: 0.9902453341318628
Energy: 0.89480787201913
Energy: 0.9902453341318628
Energy: 0.8947449925594021
Energy: 0.9242934412681004
Energy: 0.8807245467286975
Energy: 0.9242934412681004
Energy: 0.8315643133300794
Energy: 0.9242934412681004
Energy: 0.8807245467286975
Energy: 0.8231065463201281
Energy: 0.8804961985614193
Energy: 0.8231065463201281
Energy: 0.8316717507491664
Energy: 0.8231065463201281
Energy: 0.8804961985614193
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.872759611628585
Energy: 0.8948132183415979
Energy: 0.8948242436287589
Energy: 0.9928366643205444
Energy: 0.8948327322307764
Energy: 0.9928366643205444
Energy: 0.8948242436287589
Energy: 0.9928366643205444
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.9534592829521094
Energy: 0.9617819336716554
Energy: 0.8329671335675933
Energy: 0.9597676064384555
Energy: 0.8329671335675933
Energy: 0.9597676064384555
Energy: 0.8329671335681909
Energy: 0.9597676064384555
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 1.0247380700423099
Energy: 0.9976318787564912
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.8726348767398434
Energy: 0.894757862472637
Energy: 0.8726348767398434

minimum gb energy = 0.8231065463201281 eV
minimum distance =  2.4107622958961 Angstroms
sigma value = 27


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

Energy: 0.817480532973623
Energy: 0.7953050242252421
Energy: 0.817480532973623
Energy: 0.7953050242252421
Energy: 0.817480532973623
Energy: 0.7953050242252421
Energy: 0.9371989472353495
Energy: 0.8245610191768243
Energy: 0.9371989472353495
Energy: 0.8245610191768243
Energy: 0.9371989472353495
Energy: 0.8245610191768243
Energy: 0.8292306088954157
Energy: 0.9140171082452078
Energy: 0.8292306088954157
Energy: 0.9140171082452078
Energy: 0.8292306088954157
Energy: 0.9140171082452078
Energy: 0.9217529711014277
Energy: 0.773816852627778
Energy: 0.9217529711014277
Energy: 0.773816852627778
Energy: 0.9217529711014277
Energy: 0.773816852627778
Energy: 0.9190470165505323
Energy: 0.7736779892474992
Energy: 0.9190470165505323
Energy: 0.7736779892474992
Energy: 0.9190470165505323
Energy: 0.7736779892474992
Energy: 0.9278302536673453
Energy: 0.9667194738128743
Energy: 0.9278302536673453
Energy: 0.9667194738128743
Energy: 0.9278302536673453
Energy: 0.9667194738128743
Energy: 0.7743053013114172
Energy: 0.828231974060752
Energy: 0.7743053013114172
Energy: 0.828231974060752
Energy: 0.7743053013114172
Energy: 0.828231974060752
Energy: 0.8142267419839405
Energy: 0.7992888221585622
Energy: 0.8142267419839405
Energy: 0.7992888221585622
Energy: 0.8142267419839405
Energy: 0.7992888221585622
Energy: 0.9350626396766107
Energy: 0.8290092304959091
Energy: 0.9350626396780742
Energy: 0.8290092304563963
Energy: 0.9350626396780742
Energy: 0.8290092306553577
Energy: 0.897239977464072
Energy: 0.9278111342825275
Energy: 0.897239977464072
Energy: 0.9278111342825275
Energy: 0.897239977464072
Energy: 0.9278111342825275
Energy: 0.8662462991659375
Energy: 0.773993691486844
Energy: 0.8662462991659375
Energy: 0.7739936914883075
Energy: 0.8662462991659375
Energy: 0.773993691486844
Energy: 0.9629722107756683
Energy: 0.879016573453418
Energy: 0.9629722107756683
Energy: 0.879016573453418
Energy: 0.9629722107756683
Energy: 0.879016573453418

minimum gb energy = 0.7736779892474992 eV
minimum distance =  2.29846249583954 Angstroms
sigma value = 9


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

Energy: 0.8102508367466194
Energy: 0.7867431124143283
Energy: 0.8102508367466194
Energy: 0.7867431124143283
Energy: 0.8102508367466194
Energy: 0.7867431124143283
Energy: 0.7891320303704855
Energy: 0.7608299185504878
Energy: 0.7891320303700742
Energy: 0.7608299185504878
Energy: 0.7891320303692518
Energy: 0.7608299185504878
Energy: 0.7207538955409026
Energy: 0.7974493706579862
Energy: 0.7207538955409026
Energy: 0.7974493706579862
Energy: 0.7207538955404914
Energy: 0.7974493706571638
Energy: 0.7355832038655121
Energy: 0.7078280013517019
Energy: 0.7355832038655121
Energy: 0.7078280013521131
Energy: 0.7355832038655121
Energy: 0.7078280013521131
Energy: 0.7910539326260566
Energy: 0.7677544750855573
Energy: 0.7910539326260566
Energy: 0.7677544750851459
Energy: 0.7910539326256454
Energy: 0.7677544750855573
Energy: 0.8004045936551909
Energy: 0.7884929834721094
Energy: 0.8004045936551909
Energy: 0.7884929834716983
Energy: 0.8004045936551909
Energy: 0.7884929834716983
Energy: 0.7479704222581489
Energy: 0.8327991367120327
Energy: 0.7479704222581489
Energy: 0.8327991367116214
Energy: 0.7479704222581489
Energy: 0.8327991367116214
Energy: 0.6924506858492658
Energy: 0.7952735923416047
Energy: 0.6924506858492658
Energy: 0.7952735923416047
Energy: 0.6924506858492658
Energy: 0.7952735923416047
Energy: 0.8003374167850902
Energy: 0.7680967765646544
Energy: 0.8003374167850902
Energy: 0.7680967765646544
Energy: 0.8003374167850902
Energy: 0.7680967765646544
Energy: 0.7960579330775627
Energy: 0.8190989438561084
Energy: 0.7960579330775627
Energy: 0.8190989438561084
Energy: 0.7960579330775627
Energy: 0.8190989438565195
Energy: 0.7342429388502923
Energy: 0.7131637435710022
Energy: 0.7342429388502923
Energy: 0.7131637435710022
Energy: 0.7342429388502923
Energy: 0.7131637435710022
Energy: 0.7548216919722526
Energy: 0.7860053027263182
Energy: 0.7548216919722526
Energy: 0.7860053027263182
Energy: 0.7548216919722526
Energy: 0.7860053027263182
Energy: 0.7715249543517761
Energy: 0.7725460952220121
Energy: 0.7715249543513649
Energy: 0.7725460952220121
Energy: 0.7715249543517761
Energy: 0.7725460952220121
Energy: 0.8068776510364651
Energy: 0.7913157313163952
Energy: 0.8068776510364651
Energy: 0.7913157313168065
Energy: 0.8068776510364651
Energy: 0.7913157313168065
Energy: 0.7204389941836582
Energy: 0.7943211125313311
Energy: 0.7204389941836582
Energy: 0.7943211125313311
Energy: 0.720438994183247
Energy: 0.7943211125317422
Energy: 0.7290444124885813
Energy: 0.7715333502208063
Energy: 0.7290444124885813
Energy: 0.771533350220395
Energy: 0.7290444124885813
Energy: 0.7715333502208063
Energy: 0.9180433367206383
Energy: 0.708414128228365
Energy: 0.9180433367210495
Energy: 0.708414128228365
Energy: 0.9180433367206383
Energy: 0.7084141282279539
Energy: 0.7347525581093497
Energy: 0.7618559406637387
Energy: 0.7347525581093497
Energy: 0.76185594066415
Energy: 0.7347525581093497
Energy: 0.7618559406637387
Energy: 0.6898135454370818
Energy: 0.926425527840065
Energy: 0.6898135454370818
Energy: 0.926425527840065
Energy: 0.6898135454370818
Energy: 0.926425527840065
Energy: 0.8536804395098743
Energy: 0.7066879207252464
Energy: 0.8536804395098743
Energy: 0.7066879207248352
Energy: 0.8536804395102854
Energy: 0.7066879207252464
Energy: 0.6900580411159346
Energy: 0.9264876055150921
Energy: 0.6900580411159346
Energy: 0.9264876055150921
Energy: 0.6900580411159346
Energy: 0.9264876055150921
Energy: 0.7301585215847118
Energy: 0.7618908675561754
Energy: 0.7301585215847118
Energy: 0.7618908675561754
Energy: 0.7301585215847118
Energy: 0.7618908675561754
Energy: 0.9190704740268496
Energy: 0.708352771260845
Energy: 0.9190704740268496
Energy: 0.708352771260845
Energy: 0.9190704740264385
Energy: 0.7083527712604338
Energy: 0.7289037058162423
Energy: 0.749110771638301
Energy: 0.7289037058162423
Energy: 0.7491107716370674
Energy: 0.7289037058158311
Energy: 0.7491107716366562
Energy: 0.7204359509919401
Energy: 0.7945381241742805
Energy: 0.7204359509919401
Energy: 0.7945381241746917
Energy: 0.7204359509919401
Energy: 0.7945381241746917
Energy: 0.8069775466422698
Energy: 0.7916683604725937
Energy: 0.8069775466422698
Energy: 0.7916683604709489
Energy: 0.8069775466422698
Energy: 0.7916683604709489
Energy: 0.7716829251469227
Energy: 0.7727155243230052
Energy: 0.7716829251469227
Energy: 0.7727155243234164
Energy: 0.7716829251469227
Energy: 0.7727155243230052
Energy: 0.7548628640676606
Energy: 0.7169985119883039
Energy: 0.7548628640676606
Energy: 0.7169985119883039
Energy: 0.7548628640676606
Energy: 0.7169985119883039
Energy: 0.7339573224085922
Energy: 0.7129651770680338
Energy: 0.7339573224085922
Energy: 0.7129651770680338
Energy: 0.7339573224085922
Energy: 0.7129651770680338
Energy: 0.7960920930017892
Energy: 0.6905819082586245
Energy: 0.7960920930017892
Energy: 0.6905819082578021
Energy: 0.7960920930017892
Energy: 0.6905819082578021
Energy: 0.8004415823869836
Energy: 0.7681315106142793
Energy: 0.8004415823869836
Energy: 0.7681315106142793
Energy: 0.8004415823886285
Energy: 0.7681315106146905
Energy: 0.6924586078737449
Energy: 0.7952186721963119
Energy: 0.692458607874156
Energy: 0.7952186721963119
Energy: 0.6924586078737449
Energy: 0.7952186721959007
Energy: 0.7481366988909075
Energy: 0.7956137440814308
Energy: 0.7481366988913186
Energy: 0.7956137440810197
Energy: 0.7481366988909075
Energy: 0.7956137440814308
Energy: 0.8003061596038397
Energy: 0.7382484790262175
Energy: 0.8003061596038397
Energy: 0.7382484790262175
Energy: 0.8003061596042508
Energy: 0.7382484790262175
Energy: 0.7910392850465042
Energy: 0.7677719185446263
Energy: 0.7910392850465042
Energy: 0.7677719185450376
Energy: 0.7910392850465042
Energy: 0.7677719185450376
Energy: 0.7358140611836457
Energy: 0.7079136079678655
Energy: 0.7358140611836457
Energy: 0.7079136079678655
Energy: 0.7358140611836457
Energy: 0.7079136079678655
Energy: 0.7206719317304825
Energy: 0.7976374212562531
Energy: 0.7206719317304825
Energy: 0.7976374212570755
Energy: 0.7206719317304825
Energy: 0.7976374212562531
Energy: 0.7891838867732429
Energy: 0.7598045654122438
Energy: 0.789183886773654
Energy: 0.7598045654122438
Energy: 0.7891838867732429
Energy: 0.7598045654122438
Energy: 0.8102508367466194
Energy: 0.7867431124143283
Energy: 0.8102508367466194
Energy: 0.7867431124143283
Energy: 0.8102508367466194
Energy: 0.7867431124143283
Energy: 0.7891320303717191
Energy: 0.7121127486402845
Energy: 0.7891320303717191
Energy: 0.7121127486402845
Energy: 0.7891320303717191
Energy: 0.7121127486402845
Energy: 0.7207538955404914
Energy: 0.7974493706551079
Energy: 0.7207538955409026
Energy: 0.7974493706542856
Energy: 0.7207538955409026
Energy: 0.7974493706542856
Energy: 0.7355832038655121
Energy: 0.7078280013521131
Energy: 0.7355832038655121
Energy: 0.7078280013521131
Energy: 0.7355832038655121
Energy: 0.7078280013521131
Energy: 0.7910539326260566
Energy: 0.7677544750851459
Energy: 0.7910539326256454
Energy: 0.7677544750855573
Energy: 0.7910539326260566
Energy: 0.7677544750851459

minimum gb energy = 0.6898135454370818 eV
minimum distance =  2.35277063940043 Angstroms
sigma value = 57


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

Energy: 0.3547469590822708
Energy: 0.3633620191337077
Energy: 0.3547469590822708
Energy: 0.3633620191337077
Energy: 0.3547469590822708
Energy: 0.3633620191337077
Energy: 0.4523322939961117
Energy: 0.4893671312909312
Energy: 0.4523322939961117
Energy: 0.4893671312909312
Energy: 0.4523322939961117
Energy: 0.4893671312909312
Energy: 0.3986466080519014
Energy: 0.44292479863727324
Energy: 0.3986466080519014
Energy: 0.44292479863727324
Energy: 0.3986466080519014
Energy: 0.44292479863727324
Energy: 0.3654009242642403
Energy: 0.3544615107235391
Energy: 0.3654009242642403
Energy: 0.3544615107235391
Energy: 0.3654009242642403
Energy: 0.3544615107235391
Energy: 0.4531571084612059
Energy: 0.4571466517001076
Energy: 0.4531571084612059
Energy: 0.4571466517001076
Energy: 0.4531571084612059
Energy: 0.4571466517001076
Energy: 0.35461187117627174
Energy: 0.4004235777629491
Energy: 0.3546118711772078
Energy: 0.4004235777629491
Energy: 0.35461187117627174
Energy: 0.4004235777629491
Energy: 0.3546093276812152
Energy: 0.40062821656910014
Energy: 0.3546093276812152
Energy: 0.40062821656910014
Energy: 0.3546093276812152
Energy: 0.40062821656910014
Energy: 0.4530925630516748
Energy: 0.45713324873282535
Energy: 0.4530925630516748
Energy: 0.45713324873282535
Energy: 0.4530925630516748
Energy: 0.45713324873282535
Energy: 0.3654090248297454
Energy: 0.3544352990631293
Energy: 0.3654090248297454
Energy: 0.3544352990631293
Energy: 0.3654090248297454
Energy: 0.3544352990631293
Energy: 0.3988566863427257
Energy: 0.4424994762361431
Energy: 0.39885668634178967
Energy: 0.4424994762361431
Energy: 0.3988566863427257
Energy: 0.4424994762361431
Energy: 0.45228279380769343
Energy: 0.4895196889978359
Energy: 0.45228279380675734
Energy: 0.4895196889978359
Energy: 0.45228279380675734
Energy: 0.4895196889978359
Energy: 0.35474695908320686
Energy: 0.3633620191337077
Energy: 0.3547469590822708
Energy: 0.3633620191337077
Energy: 0.3547469590822708
Energy: 0.3633620191346437
Energy: 0.4523322939961117
Energy: 0.4893671312909312
Energy: 0.4523322939961117
Energy: 0.4893671312899951
Energy: 0.4523322939961117
Energy: 0.4893671312909312
Energy: 0.3986466080509654
Energy: 0.44292479863727324
Energy: 0.3986466080519014
Energy: 0.44292479863727324
Energy: 0.3986466080509654
Energy: 0.44292479863727324
Energy: 0.3654009242642403
Energy: 0.3544615107235391
Energy: 0.3654009242642403
Energy: 0.3544615107235391
Energy: 0.3654009242642403
Energy: 0.3544615107235391
Energy: 0.4531571084612059
Energy: 0.4571466517001076
Energy: 0.4531571084612059
Energy: 0.4571466517001076
Energy: 0.4531571084612059
Energy: 0.4571466517001076
Energy: 0.35461187117627174
Energy: 0.4004235777629491
Energy: 0.3546118711772078
Energy: 0.4004235777629491
Energy: 0.35461187117627174
Energy: 0.4004235777629491
Energy: 0.3546093276812152
Energy: 0.4006282165681642
Energy: 0.3546093276812152
Energy: 0.40062821656910014
Energy: 0.3546093276812152
Energy: 0.40062821656910014
Energy: 0.4530925630516748
Energy: 0.45713324873282535
Energy: 0.4530925630516748
Energy: 0.45713324873282535
Energy: 0.4530925630516748
Energy: 0.45713324873282535

minimum gb energy = 0.3544352990631293 eV
minimum distance =  2.44148953233409 Angstroms
sigma value = 11


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

Energy: 0.6402285112096924
Energy: 0.7718323428184934
Energy: 0.6402285112096924
Energy: 0.7718323428184934
Energy: 0.6402285112096924
Energy: 0.7718323428184934
Energy: 0.7859440058277473
Energy: 0.669487031307113
Energy: 0.7859440058277473
Energy: 0.669487031307113
Energy: 0.7859440058277473
Energy: 0.669487031307113
Energy: 0.7807109773381689
Energy: 0.8813444038727749
Energy: 0.7807109773381689
Energy: 0.8813444038727749
Energy: 0.7807109773381689
Energy: 0.8813444038734606
Energy: 0.8735318672681743
Energy: 0.6015197759069737
Energy: 0.8735318672681743
Energy: 0.6015197759069737
Energy: 0.8735318672681743
Energy: 0.6015197759069737
Energy: 0.6017918303225662
Energy: 0.5822734334460484
Energy: 0.6017918303225662
Energy: 0.5822734334460484
Energy: 0.6017918303218804
Energy: 0.5822734334460484
Energy: 0.7046976794524937
Energy: 0.595249889653411
Energy: 0.7046976794524937
Energy: 0.595249889653411
Energy: 0.7046976794524937
Energy: 0.595249889653411
Energy: 0.5727504944858538
Energy: 0.6326252660926092
Energy: 0.5727504944858538
Energy: 0.6326252660905523
Energy: 0.572750494485168
Energy: 0.6326252660905523
Energy: 0.7722807499021043
Energy: 0.5561985180913827
Energy: 0.7722807499027899
Energy: 0.5561985180913827
Energy: 0.7722807499021043
Energy: 0.5561985180913827
Energy: 0.7659293075336822
Energy: 0.5596741054077267
Energy: 0.7659293075329964
Energy: 0.5596741054077267
Energy: 0.7659293075329964
Energy: 0.5596741054077267
Energy: 0.5683254075673312
Energy: 0.8308866175809427
Energy: 0.5683254075673312
Energy: 0.8308866175809427
Energy: 0.5683254075673312
Energy: 0.8308866175802571
Energy: 0.7264640367778533
Energy: 0.7140003539913015
Energy: 0.7264640367771676
Energy: 0.7140003539906158
Energy: 0.7264640367778533
Energy: 0.7140003539913015
Energy: 0.6698970606379665
Energy: 0.5847375058541966
Energy: 0.6698970606379665
Energy: 0.5847375058535109
Energy: 0.6698970606379665
Energy: 0.5847375058535109
Energy: 0.7838902818843597
Energy: 0.6066320595185027
Energy: 0.7838902818843597
Energy: 0.6066320595185027
Energy: 0.7838902818843597
Energy: 0.6066320595185027
Energy: 0.8355799674140262
Energy: 0.8603555842929863
Energy: 0.8355799674140262
Energy: 0.8603555842929863
Energy: 0.8355799674140262
Energy: 0.8603555842923006
Energy: 0.7995864520010313
Energy: 0.668486850523966
Energy: 0.7995864520010313
Energy: 0.668486850523966
Energy: 0.7995864520010313
Energy: 0.668486850523966
Energy: 0.6191758544946853
Energy: 0.7677004244618473
Energy: 0.6191758544946853
Energy: 0.7677004244618473
Energy: 0.6191758544946853
Energy: 0.7677004244618473
Energy: 0.6790236909467248
Energy: 0.6694893235262184
Energy: 0.6790236909467248
Energy: 0.6694893235255326
Energy: 0.6790236909467248
Energy: 0.6694893235255326
Energy: 0.9558208575038878
Energy: 0.7451101240980547
Energy: 0.9558208575038878
Energy: 0.7451101240980547
Energy: 0.9558208575038878
Energy: 0.7451101240980547
Energy: 0.7179026123147744
Energy: 0.5979981871267803
Energy: 0.7179026123147744
Energy: 0.5979981871267803
Energy: 0.7179026123154599
Energy: 0.5979981871267803
Energy: 0.6012761618404094
Energy: 0.6814317614317108
Energy: 0.6012761618397239
Energy: 0.6814317614317108
Energy: 0.6012761618404094
Energy: 0.6814317614317108
Energy: 0.5700860290131342
Energy: 0.597610268959843
Energy: 0.5700860290131342
Energy: 0.597610268959843
Energy: 0.5700860290131342
Energy: 0.597610268959843
Energy: 0.6069005203838409
Energy: 0.6321039506351002
Energy: 0.6069005203845266
Energy: 0.6321039506351002
Energy: 0.6069005203845266
Energy: 0.6321039506351002
Energy: 0.6892544882620727
Energy: 0.6845820296133687
Energy: 0.6892544882620727
Energy: 0.6845820296133687
Energy: 0.6892544882620727
Energy: 0.6845820296133687
Energy: 0.6931052691351864
Energy: 0.6600604439274035
Energy: 0.6931052691351864
Energy: 0.6600604439274035
Energy: 0.6931052691351864
Energy: 0.6600604439274035
Energy: 0.5701109314771494
Energy: 0.8305957556712308
Energy: 0.5701109314764637
Energy: 0.8305957556712308
Energy: 0.5701109314771494
Energy: 0.8305957556712308
Energy: 1.0740654749000156
Energy: 0.7126937841583633
Energy: 1.0740654749000156
Energy: 0.7126937841583633
Energy: 1.0740654749000156
Energy: 0.7126937841583633

minimum gb energy = 0.5561985180913827 eV
minimum distance =  2.35075481623349 Angstroms
sigma value = 41


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

Energy: 0.7661783453911533
Energy: 0.6512425152091361
Energy: 0.7661783453911533
Energy: 0.6512425152091361
Energy: 0.7661783453911533
Energy: 0.6512425152091361
Energy: 0.8372302337949303
Energy: 0.7860434460487814
Energy: 0.8372302337949303
Energy: 0.7860434460487814
Energy: 0.8372302337949303
Energy: 0.7860434460487814
Energy: 0.7480495053068638
Energy: 0.7480031348440572
Energy: 0.7480495053068638
Energy: 0.7480031348440572
Energy: 0.7480495053068638
Energy: 0.7480031348440572
Energy: 0.6798578541738519
Energy: 0.6346206198131611
Energy: 0.6798578541738519
Energy: 0.6346206198131611
Energy: 0.6798578541738519
Energy: 0.6346206198131611
Energy: 0.6249745790896963
Energy: 0.6799637229227349
Energy: 0.6249745790891559
Energy: 0.6799637229227349
Energy: 0.6249745790896963
Energy: 0.6799637229227349
Energy: 0.8084523110584471
Energy: 0.79612440416702
Energy: 0.8084523110584471
Energy: 0.79612440416702
Energy: 0.8084523110584471
Energy: 0.79612440416702
Energy: 0.6303050101863458
Energy: 0.9130155935676938
Energy: 0.6303050101863458
Energy: 0.9130155935676938
Energy: 0.6303050101863458
Energy: 0.9130155935676938
Energy: 0.6144120037929683
Energy: 0.6346412320572394
Energy: 0.6144120037929683
Energy: 0.6346412320572394
Energy: 0.6144120037929683
Energy: 0.6346412320572394
Energy: 0.6349092065415565
Energy: 0.6705697317313519
Energy: 0.6349092065415565
Energy: 0.6705697317313519
Energy: 0.6349092065415565
Energy: 0.6705697317313519
Energy: 0.6789713251036149
Energy: 0.6911368692924925
Energy: 0.6789713251036149
Energy: 0.6911368692924925
Energy: 0.6789713251036149
Energy: 0.6911368692924925
Energy: 0.6727555628750378
Energy: 0.6970302819767398
Energy: 0.6727555628750378
Energy: 0.6970302819767398
Energy: 0.6727555628755783
Energy: 0.6970302819767398
Energy: 0.6093323737516187
Energy: 0.7686128190393402
Energy: 0.6093323737516187
Energy: 0.7686128190393402
Energy: 0.6093323737516187
Energy: 0.7686128190393402
Energy: 0.6148379098888038
Energy: 0.6336956419855113
Energy: 0.6148379098888038
Energy: 0.6336956419855113
Energy: 0.6148379098888038
Energy: 0.6336956419855113
Energy: 0.5948428505685925
Energy: 0.6941134602740058
Energy: 0.5948428505685925
Energy: 0.6941134602740058
Energy: 0.5948428505685925
Energy: 0.6941134602740058
Energy: 0.8066200439192888
Energy: 0.7942917292708798
Energy: 0.8066200439192888
Energy: 0.7942917292708798
Energy: 0.8066200439192888
Energy: 0.7942917292708798
Energy: 0.5927817489307279
Energy: 0.7910439703349704
Energy: 0.5927817489307279
Energy: 0.7910439703349704
Energy: 0.5927817489307279
Energy: 0.7910439703349704
Energy: 0.6208194284750272
Energy: 0.6337435039431449
Energy: 0.6208194284750272
Energy: 0.6337435039436853
Energy: 0.6208194284744869
Energy: 0.6337435039431449
Energy: 0.6375788019978517
Energy: 0.7487077159524078
Energy: 0.6375788019983921
Energy: 0.7487077159529484
Energy: 0.6375788019989325
Energy: 0.7487077159529484
Energy: 0.690903083599706
Energy: 0.7827002614571006
Energy: 0.690903083599706
Energy: 0.7827002614571006
Energy: 0.690903083599706
Energy: 0.7827002614571006
Energy: 0.6714801832375972
Energy: 0.6375206740680441
Energy: 0.6714801832375972
Energy: 0.6375206740675036
Energy: 0.6714801832375972
Energy: 0.6375206740675036
Energy: 0.6541620663338659
Energy: 0.6889573862075553
Energy: 0.6541620663338659
Energy: 0.688957386209717
Energy: 0.6541620663338659
Energy: 0.6889573862086362
Energy: 0.6542600128672069
Energy: 0.8753054268295885
Energy: 0.6542600128672069
Energy: 0.8753054268295885
Energy: 0.6542600128672069
Energy: 0.875305426830129
Energy: 0.6789223047497097
Energy: 0.6354467979220775
Energy: 0.6789223047497097
Energy: 0.6354467979220775
Energy: 0.6789223047491693
Energy: 0.6354467979220775
Energy: 0.5929825928255585
Energy: 0.6870392701721881
Energy: 0.5929825928255585
Energy: 0.6870392701716478
Energy: 0.5929825928255585
Energy: 0.6870392701721881
Energy: 0.5921767329767865
Energy: 0.9278074778204703
Energy: 0.5921767329767865
Energy: 0.9278074778204703
Energy: 0.5921767329767865
Energy: 0.9278074778204703
Energy: 0.6301280304743608
Energy: 0.6890277440145498
Energy: 0.6301280304743608
Energy: 0.6890277440150901
Energy: 0.6301280304743608
Energy: 0.689027744016171
Energy: 0.6213130722435696
Energy: 0.6353653028504976
Energy: 0.6213130722435696
Energy: 0.6353653028504976
Energy: 0.6213130722435696
Energy: 0.6353653028510381
Energy: 0.6339720807192655
Energy: 0.6786251260265214
Energy: 0.6339720807192655
Energy: 0.6786251260265214
Energy: 0.6339720807192655
Energy: 0.6786251260259809
Energy: 0.671114901184524
Energy: 0.7892975278047852
Energy: 0.671114901184524
Energy: 0.7892975278047852
Energy: 0.671114901184524
Energy: 0.7892975278047852
Energy: 0.7370632200263088
Energy: 0.6549224350709042
Energy: 0.7370632200257683
Energy: 0.6549224350709042
Energy: 0.7370632200257683
Energy: 0.6549224350709042
Energy: 0.6135423317185424
Energy: 0.7671566707068687
Energy: 0.6135423317185424
Energy: 0.7671566707068687
Energy: 0.6135423317185424
Energy: 0.7671566707068687
Energy: 0.6418580641843761
Energy: 0.6644917466569461
Energy: 0.6418580641843761
Energy: 0.6644917466569461
Energy: 0.6418580641843761
Energy: 0.6644917466569461
Energy: 0.5919026148343228
Energy: 0.649752107949483
Energy: 0.5919026148343228
Energy: 0.649752107949483
Energy: 0.5919026148343228
Energy: 0.649752107949483

minimum gb energy = 0.5919026148343228 eV
minimum distance =  2.37033535952796 Angstroms
sigma value = 33


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

Energy: 0.7405098280920508
Energy: 0.6690720821486836
Energy: 0.7405098280920508
Energy: 0.6690720821486836
Energy: 0.7405098280916714
Energy: 0.6690720821486836
Energy: 0.7401957833651436
Energy: 0.6385434427054544
Energy: 0.7401957833655228
Energy: 0.6385434427054544
Energy: 0.7401957833655228
Energy: 0.6385434427054544
Energy: 0.6840408594883146
Energy: 0.763724328043915
Energy: 0.6840408594875561
Energy: 0.763724328043915
Energy: 0.6840408594883146
Energy: 0.763724328043915
Energy: 0.6763106431240302
Energy: 0.6563141023655273
Energy: 0.6763106431240302
Energy: 0.6563141023655273
Energy: 0.6763106431240302
Energy: 0.6563141023659066
Energy: 0.6782908456353944
Energy: 0.693048634999398
Energy: 0.6782908456357738
Energy: 0.693048634999398
Energy: 0.6782908456353944
Energy: 0.6930486349990187
Energy: 0.9138060977334366
Energy: 0.6752576184345697
Energy: 0.9138060977334366
Energy: 0.6752576184345697
Energy: 0.9138060977334366
Energy: 0.6752576184345697
Energy: 0.6628758969124529
Energy: 0.7269818736755548
Energy: 0.6628758969124529
Energy: 0.7269818736755548
Energy: 0.6628758969127977
Energy: 0.7269818736755548
Energy: 0.7027517287909372
Energy: 0.6992401813722683
Energy: 0.7027517287909372
Energy: 0.699240181372613
Energy: 0.7027517287909372
Energy: 0.6992401813722683
Energy: 0.7746095911826161
Energy: 0.6942559143559461
Energy: 0.7746095911826161
Energy: 0.6942559143563255
Energy: 0.7746095911826161
Energy: 0.6942559143559461
Energy: 0.9600976711007497
Energy: 0.659580247023243
Energy: 0.960097671099612
Energy: 0.659580247023243
Energy: 0.9600976711003705
Energy: 0.659580247023243
Energy: 0.7017244321796026
Energy: 0.699454218084558
Energy: 0.7017244321796026
Energy: 0.699454218084558
Energy: 0.7017244321796026
Energy: 0.699454218084558
Energy: 1.113000846079679
Energy: 0.6565887035441043
Energy: 1.113000846079679
Energy: 0.656588703543725
Energy: 1.113000846079679
Energy: 0.6565887035441043
Energy: 0.6955373576707112
Energy: 0.7250078963782423
Energy: 0.6955373576707112
Energy: 0.7250078963778629
Energy: 0.6955373576707112
Energy: 0.7250078963778629
Energy: 0.7187198118049345
Energy: 0.7097048275290455
Energy: 0.7187198118045554
Energy: 0.7097048275294249
Energy: 0.7187198118045554
Energy: 0.7097048275290455
Energy: 0.7067746777765642
Energy: 0.6603801533190726
Energy: 0.7067746777765642
Energy: 0.6603801533190726
Energy: 0.7067746777761851
Energy: 0.6603801533190726
Energy: 0.6813762007944827
Energy: 0.9188684752144504
Energy: 0.6813762007948619
Energy: 0.918868475214071
Energy: 0.6813762007944827
Energy: 0.9188684752144504
Energy: 0.6869319577245505
Energy: 0.6457783833867922
Energy: 0.686931957722654
Energy: 0.6457783833867922
Energy: 0.6869319577222749
Energy: 0.6457783833864128
Energy: 0.651626643427282
Energy: 0.6788450422779266
Energy: 0.651626643427282
Energy: 0.6788450422779266
Energy: 0.651626643427282
Energy: 0.6788450422779266
Energy: 0.7678880125355539
Energy: 0.6806885648216331
Energy: 0.7678880125355539
Energy: 0.6806885648220123
Energy: 0.7678880125351747
Energy: 0.6806885648216331
Energy: 0.8809812936592054
Energy: 0.6845529630955095
Energy: 0.8809812936592054
Energy: 0.6845529630955095
Energy: 0.8809812936592054
Energy: 0.6845529630955095
Energy: 0.6464595796929609
Energy: 0.7115544221536986
Energy: 0.6464595796933401
Energy: 0.7115544221536986
Energy: 0.6464595796933401
Energy: 0.7115544221540778
Energy: 0.6339337448130434
Energy: 0.7422451143990519
Energy: 0.6339337448130434
Energy: 0.7422451143990519
Energy: 0.6339337448130434
Energy: 0.7422451143990519
Energy: 0.707442366903602
Energy: 0.8726801140558361
Energy: 0.707442366903602
Energy: 0.8726801140573531
Energy: 0.7074423669032226
Energy: 0.8726801140577325
Energy: 0.6450279319065003
Energy: 0.6757833678778993
Energy: 0.6450279319061211
Energy: 0.6757833678778993
Energy: 0.6450279319065003
Energy: 0.6757833678778993
Energy: 0.6927864990812258
Energy: 0.6457543515370694
Energy: 0.6927864990808464
Energy: 0.6457543515370694
Energy: 0.6927864990812258
Energy: 0.6457543515370694
Energy: 0.6709427381035673
Energy: 0.9104301710342757
Energy: 0.670942738103188
Energy: 0.9104301710342757
Energy: 0.670942738103188
Energy: 0.9104301710342757
Energy: 0.7392330918935321
Energy: 0.6663740359923371
Energy: 0.7392330918939114
Energy: 0.6663740359919579
Energy: 0.7392330918935321
Energy: 0.6663740359919579
Energy: 0.711362717713982
Energy: 0.6464429973958024
Energy: 0.711362717713982
Energy: 0.6464429973961817
Energy: 0.711362717713982
Energy: 0.6464429973958024
Energy: 0.6957722026853174
Energy: 0.7253210176615782
Energy: 0.695772202684938
Energy: 0.7253210176615782
Energy: 0.695772202684938
Energy: 0.7253210176611989
Energy: 0.6560387433403383
Energy: 0.9562987936593838
Energy: 0.6560387433403383
Energy: 0.9562987936593838
Energy: 0.6560387433403383
Energy: 0.9562987936593838
Energy: 0.6753904763122482
Energy: 0.6476261668058919
Energy: 0.6753904763122482
Energy: 0.6476261668058919
Energy: 0.6753904763122482
Energy: 0.6476261668062712
Energy: 0.6451613999190867
Energy: 0.9412227589770007
Energy: 0.6451613999190867
Energy: 0.9412227589766213
Energy: 0.6451613999190867
Energy: 0.9412227589766213
Energy: 0.8810023410748898
Energy: 0.6681905180982429
Energy: 0.8810023410748898
Energy: 0.6681905180982429
Energy: 0.8810023410748898
Energy: 0.6681905180982429
Energy: 0.7050761218583611
Energy: 0.7120591166042292
Energy: 0.7050761218583611
Energy: 0.7120591166042292
Energy: 0.7050761218583611
Energy: 0.7120591166042292
Energy: 0.7049095868497769
Energy: 0.7120329832366027
Energy: 0.7049095868497769
Energy: 0.7120329832366027
Energy: 0.7049095868497769
Energy: 0.7120329832362233
Energy: 0.8811719386711727
Energy: 0.6684426421372102
Energy: 0.8811719386707936
Energy: 0.6684426421372102
Energy: 0.8811719386711727
Energy: 0.6684426421372102
Energy: 0.6451411669238171
Energy: 0.9405517910314637
Energy: 0.6451411669238171
Energy: 0.9405517910314637
Energy: 0.6451411669238171
Energy: 0.9405517910314637
Energy: 0.6752998360651401
Energy: 0.6474221691300476
Energy: 0.6752998360655194
Energy: 0.6474221691300476
Energy: 0.6752998360655194
Energy: 0.6474221691300476
Energy: 0.6559121119794903
Energy: 0.9560981229307938
Energy: 0.6559121119794903
Energy: 0.9560981229307938
Energy: 0.6559121119794903
Energy: 0.9560981229307938
Energy: 0.6957445680440231
Energy: 0.7249307635642699
Energy: 0.6957445680440231
Energy: 0.7249307635646491
Energy: 0.6957445680440231
Energy: 0.7249307635646491
Energy: 0.7115301122191964
Energy: 0.6464308887317266
Energy: 0.7115301122195756
Energy: 0.6464308887313472
Energy: 0.7115301122195756
Energy: 0.6464308887313472
Energy: 0.7392359231558492
Energy: 0.6664114191234088
Energy: 0.7392359231554698
Energy: 0.6664114191234088
Energy: 0.7392359231558492
Energy: 0.6664114191234088
Energy: 0.6709650378865234
Energy: 0.9105872925351788
Energy: 0.6709650378865234
Energy: 0.9105872925351788
Energy: 0.6709650378869026
Energy: 0.9105872925355581
Energy: 0.6926935289883096
Energy: 0.6457762690902437
Energy: 0.6926935289883096
Energy: 0.6457762690906229
Energy: 0.6926935289883096
Energy: 0.6457762690906229
Energy: 0.6461124300845866
Energy: 0.6756091934843479
Energy: 0.6461124300849658
Energy: 0.6756091934839685
Energy: 0.6461124300849658
Energy: 0.6756091934839685
Energy: 0.7073913641064064
Energy: 0.6267113596584241
Energy: 0.7073913641064064
Energy: 0.6267113596580449
Energy: 0.7073913641052685
Energy: 0.6267113596584241
Energy: 0.6340634361806504
Energy: 0.7423235686587063
Energy: 0.6340634361802711
Energy: 0.7423235686587063
Energy: 0.6340634361806504
Energy: 0.7423235686594649

minimum gb energy = 0.6267113596580449 eV
minimum distance =  2.36557960614063 Angstroms
sigma value = 67


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

Energy: 0.7803397669699647
Energy: 0.7361206194246139
Energy: 0.7803397669699647
Energy: 0.7361206194246139
Energy: 0.7803397669699647
Energy: 0.7361206194246139
Energy: 0.7449430262176578
Energy: 0.6556624632549755
Energy: 0.7449430262173986
Energy: 0.6556624632549755
Energy: 0.7449430262173986
Energy: 0.6556624632547162
Energy: 0.7543065315055466
Energy: 0.8383874588970162
Energy: 0.7543065315055466
Energy: 0.8383874588972465
Energy: 0.7543065315055466
Energy: 0.8383874588970162
Energy: 0.744720782484527
Energy: 0.6558342355527857
Energy: 0.7447207824842678
Energy: 0.6558342355527857
Energy: 0.7447207824842678
Energy: 0.655834235553016
Energy: 0.7803397669699647
Energy: 0.7361206194246139
Energy: 0.7803397669699647
Energy: 0.7361206194243836
Energy: 0.7803397669699647
Energy: 0.7361206194246139
Energy: 0.7449430262173986
Energy: 0.6556624632547162
Energy: 0.7449430262173986
Energy: 0.6556624632549755
Energy: 0.7449430262173986
Energy: 0.6556624632549755
Energy: 0.7543065315052874
Energy: 0.8383874588972465
Energy: 0.7543065315055466
Energy: 0.8383874588970162
Energy: 0.7543065315055466
Energy: 0.8383874588972465

minimum gb energy = 0.6556624632547162 eV
minimum distance =  2.37833906262428 Angstroms
sigma value = 3


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

Energy: 0.9076021761629053
Energy: 0.8225401565658759
Energy: 0.9076021761632815
Energy: 0.8225401565658759
Energy: 0.9076021761615256
Energy: 0.8225401565658759
Energy: 0.8149704334617147
Energy: 0.7622626520488629
Energy: 0.8149704334620285
Energy: 0.7622626520488629
Energy: 0.8149704334620285
Energy: 0.7622626520488629
Energy: 0.8722007348414791
Energy: 0.8761708833853793
Energy: 0.8722007348414791
Energy: 0.8761708833860691
Energy: 0.8722007348414791
Energy: 0.8761708833860691
Energy: 0.846358429245772
Energy: 0.7992645361554979
Energy: 0.846358429245772
Energy: 0.7992645361554979
Energy: 0.846358429245772
Energy: 0.7992645361554979
Energy: 0.8348256383114768
Energy: 0.8455306333207612
Energy: 0.8348256383111007
Energy: 0.8455306333211374
Energy: 0.8348256383114768
Energy: 0.8455306333207612
Energy: 0.7886553196287553
Energy: 0.7957712035153861
Energy: 0.7886553196287553
Energy: 0.7957712035153861
Energy: 0.7886553196287553
Energy: 0.7957712035157624
Energy: 0.8250647969823579
Energy: 0.8790759313357833
Energy: 0.8250647969823579
Energy: 0.8790759313047392
Energy: 0.8250647969823579
Energy: 0.8790759312785866
Energy: 0.7836732899838207
Energy: 0.8385804011937618
Energy: 0.7836732899841342
Energy: 0.8385804011937618
Energy: 0.7836732899838207
Energy: 0.8385804011937618
Energy: 0.8141234115034808
Energy: 0.8311589535624619
Energy: 0.8141234115034808
Energy: 0.8311589535624619
Energy: 0.8141234115034808
Energy: 0.8311589535624619
Energy: 0.8227762505556792
Energy: 0.7956305506304359
Energy: 0.8227762505556792
Energy: 0.7956305506308121
Energy: 0.8227762505556792
Energy: 0.7956305506304359
Energy: 0.816683413431407
Energy: 0.8827756630360951
Energy: 0.8166834134317833
Energy: 0.8827756630364086
Energy: 0.8166834134317833
Energy: 0.8827756630364086
Energy: 0.781889312954257
Energy: 0.8517350815330835
Energy: 0.7818893129538808
Energy: 0.8517350815330835
Energy: 0.7818893129538808
Energy: 0.8517350815330835
Energy: 0.8612511228593097
Energy: 0.7934869468433521
Energy: 0.8612511228593097
Energy: 0.7934869468433521
Energy: 0.8612511228593097
Energy: 0.7934869468440421
Energy: 0.8246705254704656
Energy: 0.8915918441756493
Energy: 0.8246705254700892
Energy: 0.8915918441756493
Energy: 0.8246705254700892
Energy: 0.8915918441756493
Energy: 0.8406609634837444
Energy: 0.788117520436978
Energy: 0.8406609634934026
Energy: 0.7881175204372916
Energy: 0.840660963504817
Energy: 0.7881175204366017
Energy: 0.8281094375911269
Energy: 0.8381644896241256
Energy: 0.828109437591503
Energy: 0.8381644896237496
Energy: 0.828109437591503
Energy: 0.8381644896237496
Energy: 0.8909130932952027
Energy: 0.7638515599822167
Energy: 0.8909130932948264
Energy: 0.7638515599818404
Energy: 0.8909130932952027
Energy: 0.7638515599818404
Energy: 0.8325919697852572
Energy: 0.8930191296044016
Energy: 0.8325919697856334
Energy: 0.8930191296040252
Energy: 0.8325919697852572
Energy: 0.8930191296040252
Energy: 0.8438113009106042
Energy: 0.8762008009749664
Energy: 0.8438113009102282
Energy: 0.8762008009749664
Energy: 0.8438113009102282
Energy: 0.8762008009749664
Energy: 0.7820603256566279
Energy: 0.8470773290996867
Energy: 0.7820603256566279
Energy: 0.8470773290996867
Energy: 0.7820603256562516
Energy: 0.8470773290993104
Energy: 0.8858840782554118
Energy: 0.7972689152525548
Energy: 0.8858840782557253
Energy: 0.7972689152521785
Energy: 0.8858840782557253
Energy: 0.7972689152518649
Energy: 0.7824158309216612
Energy: 0.8702930387287048
Energy: 0.7824158309213476
Energy: 0.8702930387283285
Energy: 0.7824158309216612
Energy: 0.8702930387290185
Energy: 0.8510530949060042
Energy: 0.8226635854270676
Energy: 0.8510530949063805
Energy: 0.8226635854270676
Energy: 0.8510530949063805
Energy: 0.8226635854277574
Energy: 0.775746145549351
Energy: 0.8309448325409156
Energy: 0.7757461455497273
Energy: 0.8309448325409156
Energy: 0.7757461455497273
Energy: 0.8309448325409156
Energy: 0.8872649959168455
Energy: 0.7972301099326351
Energy: 0.8872649959168455
Energy: 0.7972301099326351
Energy: 0.8872649959168455
Energy: 0.7972301099326351
Energy: 0.7937673672946177
Energy: 0.8187925525221553
Energy: 0.7937673672949315
Energy: 0.8187925525225317
Energy: 0.7937673672953078
Energy: 0.8187925525221553
Energy: 0.8222096092457023
Energy: 0.8429071664495535
Energy: 0.8222096092457023
Energy: 0.8429071664495535
Energy: 0.8222096092457023
Energy: 0.8429071664495535
Energy: 0.8305527558017185
Energy: 0.765726185807252
Energy: 0.8305527558013422
Energy: 0.765726185807252
Energy: 0.8305527558013422
Energy: 0.765726185807252
Energy: 0.8262537622051639
Energy: 0.7638084878066527
Energy: 0.8262537622055403
Energy: 0.7638084878069661
Energy: 0.8262537622055403
Energy: 0.7638084878069661
Energy: 0.8275721349714492
Energy: 0.79005298081826
Energy: 0.8275721349718256
Energy: 0.79005298081826
Energy: 0.8275721349718256
Energy: 0.79005298081826
Energy: 0.8200942671538528
Energy: 0.7885909086704779
Energy: 0.820094267153163
Energy: 0.7885909086704779
Energy: 0.8200942671535394
Energy: 0.7885909086701643
Energy: 0.824633698511558
Energy: 0.7642561236703063
Energy: 0.824633698511558
Energy: 0.7642561236703063
Energy: 0.824633698511558
Energy: 0.7642561236706825
Energy: 0.8325120595022577
Energy: 0.8581121627042577
Energy: 0.8325120595025713
Energy: 0.8581121627042577
Energy: 0.8325120595025713
Energy: 0.8581121627042577
Energy: 0.9214251949652762
Energy: 0.8359722705876347
Energy: 0.9214251949652762
Energy: 0.8359722705872583
Energy: 0.9214251949655899
Energy: 0.8359722705872583
Energy: 0.7726082147904203
Energy: 0.8170285081260823
Energy: 0.7726082147897303
Energy: 0.8170285081260823
Energy: 0.7726082147901067
Energy: 0.8170285081260823
Energy: 0.8834189736063567
Energy: 0.7958213000063858
Energy: 0.8834189736063567
Energy: 0.7958213000067622
Energy: 0.8834189736066702
Energy: 0.7958213000070757
Energy: 0.7770227016539434
Energy: 0.8995483461050883
Energy: 0.7770227016535671
Energy: 0.8995483461050883
Energy: 0.7770227016539434
Energy: 0.8995483461043985
Energy: 0.88714872072538
Energy: 0.824070616253946
Energy: 0.8871487207256937
Energy: 0.824070616253946
Energy: 0.88714872072538
Energy: 0.8240706162535696
Energy: 0.7627648808827802
Energy: 0.8704847003579814
Energy: 0.76276488088347
Energy: 0.8704847003576677
Energy: 0.7627648808827802
Energy: 0.8704847003576677
Energy: 0.8684032466168364
Energy: 0.7956776195775679
Energy: 0.8684032465830327
Energy: 0.7956776195775679
Energy: 0.8684032466288778
Energy: 0.7956776195772545
Energy: 0.783279060528186
Energy: 0.9130013832050664
Energy: 0.783279060528186
Energy: 0.9130013832047527
Energy: 0.7832790605285624
Energy: 0.9130013832047527
Energy: 0.9452982293057541
Energy: 0.771164786493533
Energy: 0.9452982293057541
Energy: 0.7711647864931569
Energy: 0.9452982293060677
Energy: 0.7711647864931569
Energy: 0.803904643775153
Energy: 0.8588985425722033
Energy: 0.803904643775153
Energy: 0.8588985425715134
Energy: 0.803904643775153
Energy: 0.8588985425722033
Energy: 0.8657621654419997
Energy: 0.7644681613531318
Energy: 0.8657621654419997
Energy: 0.7644681613531318
Energy: 0.8657621654419997
Energy: 0.7644681613531318
Energy: 0.8289456762591467
Energy: 0.8280709133037482
Energy: 0.8289456762587704
Energy: 0.8280709133041244
Energy: 0.8289456762580806
Energy: 0.8280709133041244
Energy: 0.8706626727579405
Energy: 0.7810356863421271
Energy: 0.8706626727579405
Energy: 0.7810356863428171
Energy: 0.8706626727579405
Energy: 0.7810356863441967
Energy: 0.819674069288969
Energy: 0.8198935310843309
Energy: 0.8196740692885928
Energy: 0.8198935310843309
Energy: 0.819674069288969
Energy: 0.8198935310839548
Energy: 0.8598264119243114
Energy: 0.792678902810445
Energy: 0.859826411924625
Energy: 0.7926789028101314
Energy: 0.8598264119250012
Energy: 0.792678902810445
Energy: 0.7835337740118073
Energy: 0.8469381768897234
Energy: 0.7835337740114938
Energy: 0.8469381768900995
Energy: 0.7835337740118073
Energy: 0.8469381768900995
Energy: 0.8174752235120006
Energy: 0.7948368591864075
Energy: 0.8174752235113107
Energy: 0.7948368591874736
Energy: 0.8174752235116245
Energy: 0.7948368591870972
Energy: 0.8283502055811309
Energy: 0.7955104335397625
Energy: 0.8283502055814445
Energy: 0.7955104335393863
Energy: 0.8283502055811309
Energy: 0.7955104335390727

minimum gb energy = 0.7622626520488629 eV
minimum distance =  2.34629283064013 Angstroms
sigma value = 81


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

Energy: 0.8259322722928447
Energy: 0.8037325589970125
Energy: 0.8259322722928447
Energy: 0.803732558996539
Energy: 0.8259322722928447
Energy: 0.803732558996539
Energy: 0.7377213615036282
Energy: 0.7483188408293879
Energy: 0.7377213615036282
Energy: 0.7483188408293879
Energy: 0.7377213615031547
Energy: 0.7483188408293879
Energy: 0.9692711287787757
Energy: 0.8888871427177452
Energy: 0.9692711287787757
Energy: 0.8888871427177452
Energy: 0.9692711287787757
Energy: 0.8888871427177452
Energy: 0.8045567806042144
Energy: 0.8508085995884663
Energy: 0.8045567806042144
Energy: 0.850808599587993
Energy: 0.8045567806042144
Energy: 0.850808599587993
Energy: 0.743122198343205
Energy: 0.7402886585263702
Energy: 0.743122198343205
Energy: 0.7402886585263702
Energy: 0.743122198343205
Energy: 0.7402886585263702
Energy: 0.7409163285371451
Energy: 0.7393618972418918
Energy: 0.7409163285371451
Energy: 0.7393618972423652
Energy: 0.7409163285371451
Energy: 0.7393618972423652
Energy: 0.7238038861605817
Energy: 0.7391261820821539
Energy: 0.7238038861605817
Energy: 0.7391261820821539
Energy: 0.7238038861605817
Energy: 0.7391261820821539
Energy: 0.7451231363453107
Energy: 0.8162883751798359
Energy: 0.7451231363453107
Energy: 0.8162883751798359
Energy: 0.7451231363448373
Energy: 0.8162883751798359
Energy: 0.9308594140236559
Energy: 0.853482279321999
Energy: 0.9308594140236559
Energy: 0.853482279321999
Energy: 0.9308594140236559
Energy: 0.853482279321999
Energy: 0.8083937417681613
Energy: 1.0884579078632555
Energy: 0.8083937417681613
Energy: 1.0884579078632555
Energy: 0.8083937417681613
Energy: 1.0884579078632555
Energy: 0.7435901033556905
Energy: 0.7219420119463347
Energy: 0.7435901033561638
Energy: 0.7219420119463347
Energy: 0.7435901033556905
Energy: 0.7219420119458613
Energy: 0.73996383062162
Energy: 0.7402707807918436
Energy: 0.73996383062162
Energy: 0.7402707807923171
Energy: 0.73996383062162
Energy: 0.7402707807923171
Energy: 0.7376167105923099
Energy: 0.7448527411297075
Energy: 0.7376167105923099
Energy: 0.7448527411297075
Energy: 0.7376167105923099
Energy: 0.7448527411297075
Energy: 0.8473878515530419
Energy: 0.8879402715953083
Energy: 0.8473878515530419
Energy: 0.8879402715953083
Energy: 0.8473878515525686
Energy: 0.8879402715953083
Energy: 0.8873755590254989
Energy: 0.7074524820136933
Energy: 0.8873755590259723
Energy: 0.7074524820136933
Energy: 0.8873755590259723
Energy: 0.7074524820136933
Energy: 0.7451830964013095
Energy: 0.7369476136199284
Energy: 0.7451830964013095
Energy: 0.7369476136199284
Energy: 0.7451830964008361
Energy: 0.7369476136199284
Energy: 0.8121831119143283
Energy: 0.7390109741682657
Energy: 0.8121831119143283
Energy: 0.7390109741682657
Energy: 0.8121831119143283
Energy: 0.7390109741687391
Energy: 0.6918752858953603
Energy: 0.8075286599339434
Energy: 0.691875285894887
Energy: 0.8075286599339434
Energy: 0.6918752858953603
Energy: 0.8075286599339434
Energy: 0.8895692400633237
Energy: 0.9655902969681935
Energy: 0.889569240063797
Energy: 0.9655902969681935
Energy: 0.8895692400633237
Energy: 0.9655902969681935
Energy: 0.8535131237508422
Energy: 0.9309389809896557
Energy: 0.8535131237508422
Energy: 0.9309389809896557
Energy: 0.8535131237503687
Energy: 0.9309389809896557
Energy: 0.7441114980408422
Energy: 0.744635303949084
Energy: 0.7441114980408422
Energy: 0.744635303949084
Energy: 0.7441114980408422
Energy: 0.744635303949084
Energy: 0.738975224506964
Energy: 0.7250468081582694
Energy: 0.738975224506964
Energy: 0.7250468081587429
Energy: 0.738975224506964
Energy: 0.7250468081587429
Energy: 0.7391485123699532
Energy: 0.7250082386751382
Energy: 0.7391485123699532
Energy: 0.7250082386751382
Energy: 0.7391485123699532
Energy: 0.7250082386751382
Energy: 0.7437619277067236
Energy: 0.7447280304379836
Energy: 0.7437619277067236
Energy: 0.7447280304384571
Energy: 0.7437619277067236
Energy: 0.7447280304384571
Energy: 0.8536260527910053
Energy: 0.9307785518320753
Energy: 0.8536260527905319
Energy: 0.9307785518320753
Energy: 0.8536260527905319
Energy: 0.9307785518320753
Energy: 0.8920979871181043
Energy: 0.9659169237513752
Energy: 0.8920979871181043
Energy: 0.9659169237513752
Energy: 0.8920979871181043
Energy: 0.9659169237513752
Energy: 0.6919543352454437
Energy: 0.8074184651118334
Energy: 0.6919543352454437
Energy: 0.8074184651118334
Energy: 0.6919543352454437
Energy: 0.8074184651123067
Energy: 0.812359927554961
Energy: 0.7391601448604253
Energy: 0.812359927554961
Energy: 0.7391601448604253
Energy: 0.812359927554961
Energy: 0.7391601448608986
Energy: 0.7451882880746388
Energy: 0.737089890637323
Energy: 0.7451882880746388
Energy: 0.737089890637323
Energy: 0.7451882880746388
Energy: 0.737089890637323
Energy: 0.8873997090091935
Energy: 0.707578729590028
Energy: 0.8873997090091935
Energy: 0.707578729590028
Energy: 0.8873997090091935
Energy: 0.707578729590028
Energy: 0.8474560186725536
Energy: 0.8876993855768646
Energy: 0.8474560186720802
Energy: 0.8876993855768646
Energy: 0.8474560186725536
Energy: 0.8876993855768646
Energy: 0.7376017681183096
Energy: 0.7448930452202975
Energy: 0.7376017681183096
Energy: 0.7448930452202975
Energy: 0.7376017681183096
Energy: 0.7448930452198241
Energy: 0.7398339663722155
Energy: 0.7403089296292746
Energy: 0.7398339663722155
Energy: 0.7403089296292746
Energy: 0.7398339663722155
Energy: 0.7403089296292746
Energy: 0.743552959624664
Energy: 0.7221063958815094
Energy: 0.743552959624664
Energy: 0.7221063958815094
Energy: 0.743552959624664
Energy: 0.7221063958810359
Energy: 0.8084894822332233
Energy: 1.088644423025538
Energy: 0.8084894822336968
Energy: 1.088644423025538
Energy: 0.8084894822332233
Energy: 1.088644423025538
Energy: 0.9308270233903156
Energy: 0.8535383398316257
Energy: 0.9308270233903156
Energy: 0.8535383398306788
Energy: 0.9308270233903156
Energy: 0.8535383398292586
Energy: 0.7451454693852759
Energy: 0.8163273270930838
Energy: 0.7451454693852759
Energy: 0.8163273270930838
Energy: 0.7451454693852759
Energy: 0.8163273270930838
Energy: 0.7236947916315883
Energy: 0.7390886695962798
Energy: 0.7236947916315883
Energy: 0.7390886695962798
Energy: 0.7236947916315883
Energy: 0.7390886695962798

minimum gb energy = 0.691875285894887 eV
minimum distance =  2.40719833732982 Angstroms
sigma value = 43


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

Energy: 0.9773007996860694
Energy: 0.760376288746965
Energy: 0.9773007996860694
Energy: 0.760376288746965
Energy: 0.9773007996860694
Energy: 0.760376288746965
Energy: 0.8431272029625596
Energy: 0.7636893258363936
Energy: 0.8431272029625596
Energy: 0.7636893258363936
Energy: 0.8431272029625596
Energy: 0.7636893258363936
Energy: 0.8981399401268184
Energy: 0.9463518833695874
Energy: 0.8981399401268184
Energy: 0.9463518833695874
Energy: 0.8981399401268184
Energy: 0.9463518833695874
Energy: 0.7768502148811042
Energy: 0.8021357201886475
Energy: 0.7768502148811042
Energy: 0.8021357201880661
Energy: 0.7768502148811042
Energy: 0.8021357201880661
Energy: 0.8371554333952467
Energy: 0.841734490877116
Energy: 0.8371554333952467
Energy: 0.841734490877116
Energy: 0.8371554333952467
Energy: 0.841734490877116
Energy: 0.8008684923637437
Energy: 0.8200661256490659
Energy: 0.8008684923643252
Energy: 0.8200661256490659
Energy: 0.8008684923643252
Energy: 0.8200661256490659
Energy: 0.8258451717545638
Energy: 0.8825587870265851
Energy: 0.8258451717539823
Energy: 0.8825587870283297
Energy: 0.8258451717545638
Energy: 0.8825587870265851
Energy: 0.7992873140416823
Energy: 0.8797454260299914
Energy: 0.7992873140416823
Energy: 0.8797454260299914
Energy: 0.7992873140416823
Energy: 0.8797454260299914
Energy: 0.9111756344167331
Energy: 0.7577548679422277
Energy: 0.9111756344167331
Energy: 0.7577548679422277
Energy: 0.9111756344167331
Energy: 0.7577548679422277
Energy: 0.7955589634035743
Energy: 0.8252687977274048
Energy: 0.7955589634035743
Energy: 0.8252687977256603
Energy: 0.7955589634035743
Energy: 0.8252687977355461
Energy: 0.7901485496496495
Energy: 0.8287103817577943
Energy: 0.7901485496496495
Energy: 0.8287103817583759
Energy: 0.7901485496496495
Energy: 0.8287103817583759
Energy: 0.7993213602473481
Energy: 0.7949128156665413
Energy: 0.7993213602473481
Energy: 0.7949128156665413
Energy: 0.7993213602473481
Energy: 0.7949128156665413
Energy: 0.8824141117294129
Energy: 0.8196394825328942
Energy: 0.8824141117294129
Energy: 0.8196394825328942
Energy: 0.8824141117294129
Energy: 0.8196394825328942
Energy: 0.7405785548826966
Energy: 0.9206248198685957
Energy: 0.7405785548826966
Energy: 0.9206248198685957
Energy: 0.7405785548826966
Energy: 0.9206248198685957
Energy: 0.7903644334416252
Energy: 0.8430742250679305
Energy: 0.7903644334416252
Energy: 0.8430742250679305
Energy: 0.7903644334416252
Energy: 0.8430742250679305
Energy: 0.8190586464385193
Energy: 0.8573151656496695
Energy: 0.8190586464379378
Energy: 0.8573151656496695
Energy: 0.8190586464385193
Energy: 0.8573151656496695
Energy: 0.8962667389674779
Energy: 0.7633150657830567
Energy: 0.8962667389674779
Energy: 0.7633150657830567
Energy: 0.8962667389674779
Energy: 0.7633150657830567
Energy: 0.8825671354347038
Energy: 0.8083927915661332
Energy: 0.8825671354347038
Energy: 0.8083927915661332
Energy: 0.8825671354347038
Energy: 0.8083927915661332
Energy: 0.8995158566659397
Energy: 0.7921371353744787
Energy: 0.8995158566659397
Energy: 0.7921371353750604
Energy: 0.8995158566659397
Energy: 0.7921371353750604
Energy: 0.8922821310616719
Energy: 0.7700447281116268
Energy: 0.8922821310616719
Energy: 0.7700447281116268
Energy: 0.8922821310616719
Energy: 0.7700447281122085
Energy: 0.8189300809258
Energy: 0.8222518694928675
Energy: 0.8189300809258
Energy: 0.8222518694928675
Energy: 0.8189300809258
Energy: 0.8222518694928675
Energy: 0.8712972202385139
Energy: 0.8436027296421045
Energy: 0.8712972202379323
Energy: 0.8436027296421045
Energy: 0.8712972202390953
Energy: 0.8436027296421045
Energy: 0.7408657315363384
Energy: 0.8618387319031302
Energy: 0.7408657315369199
Energy: 0.8618387319031302
Energy: 0.7408657315369199
Energy: 0.8618387319031302
Energy: 0.8806253257335849
Energy: 0.8202619272177926
Energy: 0.8806253257335849
Energy: 0.8202619272177926
Energy: 0.8806253257335849
Energy: 0.8202619272177926
Energy: 0.7990518122549224
Energy: 0.790160579611209
Energy: 0.799051812255504
Energy: 0.790160579611209
Energy: 0.799051812255504
Energy: 0.790160579611209
Energy: 0.9046927437943191
Energy: 0.82867557138929
Energy: 0.9046927437943191
Energy: 0.82867557138929
Energy: 0.9046927437943191
Energy: 0.82867557138929
Energy: 0.8294220325133976
Energy: 0.8960320101260575
Energy: 0.8294220325139792
Energy: 0.8960320101260575
Energy: 0.8294220325139792
Energy: 0.8960320101260575
Energy: 0.8709791532835043
Energy: 0.7611974019407703
Energy: 0.8709791532835043
Energy: 0.7611974019407703
Energy: 0.8709791532835043
Energy: 0.7611974019407703
Energy: 0.7991360423856332
Energy: 0.8366726449815614
Energy: 0.7991360423856332
Energy: 0.8366726449815614
Energy: 0.7991360423856332
Energy: 0.8366726449815614
Energy: 0.8387789336995973
Energy: 0.8598712124706686
Energy: 0.8387789336995973
Energy: 0.8598712124706686
Energy: 0.8387789336995973
Energy: 0.8598712124706686
Energy: 0.8003342796466006
Energy: 0.8201861461256412
Energy: 0.8003342796466006
Energy: 0.8201861461256412
Energy: 0.8003342796466006
Energy: 0.8201861461256412

minimum gb energy = 0.7405785548826966 eV
minimum distance =  2.36609243468387 Angstroms
sigma value = 57


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

Energy: 0.8713820260591594
Energy: 0.7529844015855081
Energy: 0.8713820260591594
Energy: 0.7529844015855081
Energy: 0.8713820260591594
Energy: 0.7529844015855081
Energy: 0.8031794782368067
Energy: 0.728726815384448
Energy: 0.8031794782375596
Energy: 0.728726815384448
Energy: 0.8031794782368067
Energy: 0.728726815384448
Energy: 0.8235789211356518
Energy: 0.8999915153719122
Energy: 0.823578921134899
Energy: 0.8999915153719122
Energy: 0.823578921134899
Energy: 0.8999915153719122
Energy: 1.0551620047368457
Energy: 0.8410467606679306
Energy: 1.0551620047368457
Energy: 0.8410467606679306
Energy: 1.0551620047368457
Energy: 0.8410467606679306
Energy: 0.7652068673565189
Energy: 0.839484677527346
Energy: 0.7652068673565189
Energy: 0.839484677527346
Energy: 0.7652068673557659
Energy: 0.839484677527346
Energy: 0.8272037865472498
Energy: 0.8025766711356019
Energy: 0.8272037865472498
Energy: 0.8025766711356019
Energy: 0.8272037865480026
Energy: 0.8025766711356019
Energy: 0.8188064140759086
Energy: 0.898657340061073
Energy: 0.8188064140759086
Energy: 0.898657340061073
Energy: 0.8188064140759086
Energy: 0.898657340061073
Energy: 0.8735820625676788
Energy: 0.7362507505413531
Energy: 0.8735820625676788
Energy: 0.7362507505413531
Energy: 0.8735820625684317
Energy: 0.7362507505413531
Energy: 0.7763735609655285
Energy: 0.7326042167505606
Energy: 0.7763735609655285
Energy: 0.7326042167505606
Energy: 0.7763735609655285
Energy: 0.7326042167505606
Energy: 0.7153346620802103
Energy: 0.8024921150179674
Energy: 0.7153346620802103
Energy: 0.8024921150179674
Energy: 0.7153346620794575
Energy: 0.8024921150179674
Energy: 0.8188036619536504
Energy: 0.8403650216520027
Energy: 0.8188036619536504
Energy: 0.8403650216520027
Energy: 0.8188036619536504
Energy: 0.8403650216520027
Energy: 0.7740693921646472
Energy: 0.8409773094084839
Energy: 0.7740693921646472
Energy: 0.8409773094084839
Energy: 0.7740693921646472
Energy: 0.8409773094084839
Energy: 0.8389010446075499
Energy: 0.7325499226113374
Energy: 0.8389010446075499
Energy: 0.7325499226113374
Energy: 0.8389010446075499
Energy: 0.7325499226113374
Energy: 0.7853429981240084
Energy: 0.7313490936573416
Energy: 0.7853429981225025
Energy: 0.7313490936573416
Energy: 0.7853429981225025
Energy: 0.7313490936573416
Energy: 0.7835461406090642
Energy: 0.7292487162310846
Energy: 0.7835461406090642
Energy: 0.7292487162310846
Energy: 0.7835461406090642
Energy: 0.7292487162310846
Energy: 0.7737692378760658
Energy: 0.7289400240635129
Energy: 0.7737692378760658
Energy: 0.7289400240635129
Energy: 0.7737692378760658
Energy: 0.7289400240635129
Energy: 0.7144712370041588
Energy: 0.8028816434769368
Energy: 0.7144712370041588
Energy: 0.8028816434769368
Energy: 0.7144712370041588
Energy: 0.8028816434769368
Energy: 0.8165668634530565
Energy: 0.8398386486213447
Energy: 0.8165668634530565
Energy: 0.8398386486213447
Energy: 0.8165668634530565
Energy: 0.8398386486213447
Energy: 0.7146209888455096
Energy: 0.8029972891458576
Energy: 0.7146209888455096
Energy: 0.8029972891458576
Energy: 0.7146209888455096
Energy: 0.8029972891458576
Energy: 0.7738289282572139
Energy: 0.7288802873944495
Energy: 0.7738289282564611
Energy: 0.7288802873952025
Energy: 0.7738289282564611
Energy: 0.7288802873952025
Energy: 0.7833586752480355
Energy: 0.7293203612575749
Energy: 0.7833586752480355
Energy: 0.7293203612575749
Energy: 0.7833586752480355
Energy: 0.7293203612575749
Energy: 0.7854110220051544
Energy: 0.7970210086031682
Energy: 0.7854110220473187
Energy: 0.7970210086031682
Energy: 0.7854110221308601
Energy: 0.7970210086024153
Energy: 0.8391104886401023
Energy: 0.7327085574573329
Energy: 0.8391104886401023
Energy: 0.7327085574573329
Energy: 0.8391104886401023
Energy: 0.7327085574573329
Energy: 0.7740533434877699
Energy: 0.840840126664931
Energy: 0.7740533434877699
Energy: 0.840840126664931
Energy: 0.7740533434877699
Energy: 0.840840126664931

minimum gb energy = 0.7144712370041588 eV
minimum distance =  2.38778280824345 Angstroms
sigma value = 17


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

Energy: 0.8304505695140764
Energy: 0.7418724679012945
Energy: 0.8304505695140764
Energy: 0.7418724679012945
Energy: 0.8304505695140764
Energy: 0.7418724679012945
Energy: 0.7156574735414675
Energy: 0.7120910580351968
Energy: 0.7156574735414675
Energy: 0.7120910580351968
Energy: 0.7156574735414675
Energy: 0.7120910580351968
Energy: 0.7900180158019062
Energy: 0.8442210220266416
Energy: 0.7900180158019062
Energy: 0.8442210220266416
Energy: 0.7900180158019062
Energy: 0.8442210220266416
Energy: 0.6705461090030307
Energy: 0.816815172118518
Energy: 0.6705461090019659
Energy: 0.816815172118518
Energy: 0.6705461090030307
Energy: 0.816815172118518
Energy: 0.809038240788269
Energy: 0.7841877811099497
Energy: 0.809038240788269
Energy: 0.7841877811099497
Energy: 0.809038240788269
Energy: 0.7841877811099497
Energy: 0.7512843480837686
Energy: 0.8154325557602962
Energy: 0.7512843480837686
Energy: 0.8154325557602962
Energy: 0.7512843480837686
Energy: 0.8154325557602962
Energy: 0.813702796532075
Energy: 0.7097020812019073
Energy: 0.813702796532075
Energy: 0.7097020812019073
Energy: 0.813702796532075
Energy: 0.7097020812019073
Energy: 0.6705323560023799
Energy: 0.8157534499220098
Energy: 0.6705323560034447
Energy: 0.8157534499220098
Energy: 0.6705323560023799
Energy: 0.8157534499220098
Energy: 0.7893961806445752
Energy: 0.7120503646025969
Energy: 0.7893961806445752
Energy: 0.712050364601532
Energy: 0.7893961806445752
Energy: 0.7120503646025969
Energy: 0.7633419625375168
Energy: 0.7161907065464349
Energy: 0.7633419625375168
Energy: 0.7161907065464349
Energy: 0.7633419625375168
Energy: 0.7161907065464349
Energy: 0.7517395085187463
Energy: 0.8077711262194064
Energy: 0.7517395085187463
Energy: 0.8077711262194064
Energy: 0.7517395085187463
Energy: 0.8077711262194064
Energy: 0.7636827965911461
Energy: 0.7267452818596585
Energy: 0.7636827965911461
Energy: 0.7267452818617881
Energy: 0.7636827965911461
Energy: 0.7267452818596585
Energy: 0.6721414455243699
Energy: 0.817223868437805
Energy: 0.6721414455243699
Energy: 0.817223868437805
Energy: 0.6721414455243699
Energy: 0.817223868437805
Energy: 0.7631715121651431
Energy: 0.7992624826343082
Energy: 0.7631715121651431
Energy: 0.7992624826343082
Energy: 0.7631715121651431
Energy: 0.7992624826343082
Energy: 0.7516891024023635
Energy: 0.7809292670020896
Energy: 0.7516891024023635
Energy: 0.7809292670020896
Energy: 0.7516891024023635
Energy: 0.7809292670020896
Energy: 0.7513772441746763
Energy: 0.8166478569881592
Energy: 0.7513772441746763
Energy: 0.8166478569870944
Energy: 0.7513772441746763
Energy: 0.8166478569870944
Energy: 0.761577490965931
Energy: 0.7981372483819186
Energy: 0.761577490965931
Energy: 0.7981372483819186
Energy: 0.761577490965931
Energy: 0.7981372483808538

minimum gb energy = 0.6705323560023799 eV
minimum distance =  2.35102402354965 Angstroms
sigma value = 17


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

Energy: 0.7544475572857934
Energy: 0.6746120709255061
Energy: 0.7544475572862046
Energy: 0.6746120709255061
Energy: 0.7544475572862046
Energy: 0.6746120709255061
Energy: 0.6854538724672063
Energy: 0.6585562597133541
Energy: 0.6854538724672063
Energy: 0.6585562597133541
Energy: 0.6854538724672063
Energy: 0.6585562597137653
Energy: 0.750665408352094
Energy: 0.717933595899389
Energy: 0.750665408352094
Energy: 0.717933595899389
Energy: 0.750665408352094
Energy: 0.717933595899389
Energy: 0.632096387619415
Energy: 0.7365996067810873
Energy: 0.6320963876181813
Energy: 0.7365996067810873
Energy: 0.632096387619415
Energy: 0.7365996067810873
Energy: 0.7697656938982007
Energy: 0.6562196184840331
Energy: 0.7697656938982007
Energy: 0.6562196184844442
Energy: 0.7697656938982007
Energy: 0.6562196184844442
Energy: 0.7155814690738698
Energy: 0.6857319943945226
Energy: 0.7155814690738698
Energy: 0.6857319943945226
Energy: 0.7155814690738698
Energy: 0.6857319943945226
Energy: 0.6856090985797411
Energy: 0.6830898978967511
Energy: 0.6856090985793298
Energy: 0.6830898978967511
Energy: 0.6856090985797411
Energy: 0.6830898978967511
Energy: 0.8772582783606357
Energy: 0.8396960832190083
Energy: 0.8772582783602246
Energy: 0.8396960832190083
Energy: 0.8772582783602246
Energy: 0.8396960832190083
Energy: 0.701967526135789
Energy: 0.7227925474693135
Energy: 0.701967526135789
Energy: 0.7227925474689023
Energy: 0.701967526135789
Energy: 0.7227925474689023
Energy: 0.6853323936039493
Energy: 0.6194265173948499
Energy: 0.6853323936039493
Energy: 0.6194265173944387
Energy: 0.6853323936043604
Energy: 0.6194265173944387
Energy: 0.632647822243637
Energy: 0.7344668263459856
Energy: 0.632647822243637
Energy: 0.7344668263459856
Energy: 0.632647822243637
Energy: 0.7344668263455744
Energy: 0.7540445922571506
Energy: 0.6707670208985838
Energy: 0.7540445922575617
Energy: 0.6707670208985838
Energy: 0.7540445922575617
Energy: 0.6707670208985838
Energy: 0.7020459244940341
Energy: 0.6702605188605925
Energy: 0.7020459244940341
Energy: 0.6702605188605925
Energy: 0.7020459244944454
Energy: 0.6702605188605925
Energy: 0.6896199612915724
Energy: 0.747385386289563
Energy: 0.6896199612915724
Energy: 0.747385386289563
Energy: 0.6896199612915724
Energy: 0.7473853862899742
Energy: 0.7184627410442481
Energy: 0.7386202798743899
Energy: 0.7184627410442481
Energy: 0.7386202798743899
Energy: 0.7184627410446593
Energy: 0.7386202798739788
Energy: 0.6324561900305736
Energy: 0.7125627973600704
Energy: 0.6324561900309847
Energy: 0.7125627973604817
Energy: 0.6324561900309847
Energy: 0.7125627973604817
Energy: 0.6992092387056671
Energy: 0.7059451712519447
Energy: 0.6992092387056671
Energy: 0.7059451712519447
Energy: 0.6992092387056671
Energy: 0.7059451712519447
Energy: 0.7178222169223761
Energy: 0.7171940417265118
Energy: 0.7178222169223761
Energy: 0.7171940417265118
Energy: 0.7178222169223761
Energy: 0.7171940417265118
Energy: 0.6920884384256185
Energy: 0.7144044715264057
Energy: 0.6920884384256185
Energy: 0.7144044715284618
Energy: 0.6920884384252074
Energy: 0.7144044715276393
Energy: 0.6986068288933712
Energy: 0.6834884075412797
Energy: 0.6986068288933712
Energy: 0.6834884075412797
Energy: 0.6986068288933712
Energy: 0.6834884075412797
Energy: 0.6924359162124741
Energy: 0.7138248543442259
Energy: 0.6924359162124741
Energy: 0.7138248544584996
Energy: 0.6924359162120629
Energy: 0.7138248545217858
Energy: 0.7179495706249035
Energy: 0.7159069755442162
Energy: 0.7179495706244924
Energy: 0.7159069755442162
Energy: 0.7179495706249035
Energy: 0.7159069755442162
Energy: 0.699260185424799
Energy: 0.7057358659920118
Energy: 0.699260185424799
Energy: 0.7057358659920118
Energy: 0.699260185424799
Energy: 0.7057358659916005
Energy: 0.6323071045813798
Energy: 0.7634486131362631
Energy: 0.6323071045817912
Energy: 0.7634486131362631
Energy: 0.6323071045817912
Energy: 0.7634486131362631
Energy: 0.7182997741591988
Energy: 0.736363397800013
Energy: 0.71829977415961
Energy: 0.7363633978004243
Energy: 0.7182997741591988
Energy: 0.7363633978004243
Energy: 0.6899937547940349
Energy: 0.7473578787226024
Energy: 0.6899937547940349
Energy: 0.7473578787226024
Energy: 0.6899937547940349
Energy: 0.7473578787226024
Energy: 0.6997505387479214
Energy: 0.6705753426238714
Energy: 0.6997505387479214
Energy: 0.6705753426238714
Energy: 0.6997505387479214
Energy: 0.6705753426238714
Energy: 0.7540437238708876
Energy: 0.6707322933901899
Energy: 0.7540437238708876
Energy: 0.6707322933901899
Energy: 0.7540437238708876
Energy: 0.6707322933901899
Energy: 0.632596121960907
Energy: 0.7342747741621313
Energy: 0.632596121960907
Energy: 0.7342747741621313
Energy: 0.6325961219604957
Energy: 0.7342747741625426
Energy: 0.6855000805959385
Energy: 0.7437321813369528
Energy: 0.6855000805959385
Energy: 0.743732181337364
Energy: 0.6855000805959385
Energy: 0.7437321813369528
Energy: 0.7019997683808139
Energy: 0.7230434998512683
Energy: 0.7019997683808139
Energy: 0.723043499850857
Energy: 0.7019997683808139
Energy: 0.7230434998512683
Energy: 0.8773632913581494
Energy: 0.8397854207205953
Energy: 0.8773632913581494
Energy: 0.8397854207205953
Energy: 0.8773632913581494
Energy: 0.839785420720184
Energy: 0.685791850175888
Energy: 0.6832395083664675
Energy: 0.685791850175888
Energy: 0.6832395083664675
Energy: 0.685791850175888
Energy: 0.6832395083664675
Energy: 0.7155935883561927
Energy: 0.667956875549044
Energy: 0.7155935883561927
Energy: 0.667956875549044
Energy: 0.7155935883557815
Energy: 0.6679568755494553
Energy: 0.7702062695043173
Energy: 0.6499977171321372
Energy: 0.7702062695043173
Energy: 0.6499977171321372
Energy: 0.7702062695043173
Energy: 0.6499977171321372
Energy: 0.6320104650044974
Energy: 0.7061082828153245
Energy: 0.6320104650044974
Energy: 0.7061082828153245
Energy: 0.6320104650049085
Energy: 0.7061082828153245
Energy: 0.7508150678736425
Energy: 0.7182258081727473
Energy: 0.7508150678736425
Energy: 0.7182258081731584
Energy: 0.7508150678732314
Energy: 0.7182258081727473
Energy: 0.686280703889662
Energy: 0.6667323265071459
Energy: 0.686280703889662
Energy: 0.6667323265071459
Energy: 0.6862807038892509
Energy: 0.6667323265071459
Energy: 0.7544475572857934
Energy: 0.6746120709255061
Energy: 0.7544475572857934
Energy: 0.6746120709259172
Energy: 0.7544475572857934
Energy: 0.6746120709255061
Energy: 0.6854538724663839
Energy: 0.6596455885634058
Energy: 0.6854538724663839
Energy: 0.6596455885634058
Energy: 0.6854538724663839
Energy: 0.6596455885634058
Energy: 0.750665408352094
Energy: 0.7179335958998001
Energy: 0.750665408352094
Energy: 0.7179335958998001
Energy: 0.750665408352094
Energy: 0.7179335958998001
Energy: 0.6320963876198261
Energy: 0.7240775281618378
Energy: 0.6320963876198261
Energy: 0.7240775281618378
Energy: 0.6320963876185925
Energy: 0.7240775281618378
Energy: 0.7697656938982007
Energy: 0.6562196184840331
Energy: 0.7697656938982007
Energy: 0.6562196184840331
Energy: 0.7697656938982007
Energy: 0.6562196184840331

minimum gb energy = 0.6194265173944387 eV
minimum distance =  2.36938972121463 Angstroms
sigma value = 57


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

Energy: 0.6932275725900839
Energy: 0.6252426076631474
Energy: 0.6932275725900839
Energy: 0.6252426076631474
Energy: 0.6932275725907533
Energy: 0.6252426076631474
Energy: 0.7071926359305425
Energy: 0.6164001302996807
Energy: 0.7071926359305425
Energy: 0.6164001302996807
Energy: 0.707192635929873
Energy: 0.6164001302996807
Energy: 0.7281338552814756
Energy: 0.6664264469686633
Energy: 0.728133855282145
Energy: 0.6664264469686633
Energy: 0.7281338552814756
Energy: 0.6664264469686633
Energy: 0.6558678142379034
Energy: 0.6803373357427086
Energy: 0.6558678142379034
Energy: 0.680337335742039
Energy: 0.6558678142385729
Energy: 0.6803373357427086
Energy: 0.7031092001824174
Energy: 0.610899661995301
Energy: 0.7031092001824174
Energy: 0.610899661995301
Energy: 0.7031092001824174
Energy: 0.610899661995301
Energy: 0.6741097345638004
Energy: 0.6160482879935456
Energy: 0.6741097345638004
Energy: 0.6160482879935456
Energy: 0.6741097345638004
Energy: 0.6160482879935456
Energy: 0.5940348123084805
Energy: 0.6554911695704818
Energy: 0.5940348183575735
Energy: 0.6554911695704818
Energy: 0.5940348153373789
Energy: 0.6554911695704818
Energy: 0.7762017778907873
Energy: 0.6432188875194537
Energy: 0.7762017778907873
Energy: 0.6432188875194537
Energy: 0.7762017778907873
Energy: 0.6432188875194537
Energy: 0.6190379801031923
Energy: 0.6176654970182842
Energy: 0.6190379801031923
Energy: 0.6176654970182842
Energy: 0.6190379801031923
Energy: 0.6176654970182842
Energy: 0.6316700942923444
Energy: 0.6293899854629931
Energy: 0.6316700942923444
Energy: 0.6293899854623235
Energy: 0.6316700942923444
Energy: 0.6293899854629931
Energy: 0.585621990996648
Energy: 0.7810174115701808
Energy: 0.585621990996648
Energy: 0.7810174115695113
Energy: 0.5856219909959784
Energy: 0.7810174115701808
Energy: 0.6452308795298068
Energy: 0.5951666767371856
Energy: 0.6452308795298068
Energy: 0.5951666767371856
Energy: 0.6452308795298068
Energy: 0.5951666767371856
Energy: 0.6290371336790177
Energy: 0.6715334130119345
Energy: 0.6290371336790177
Energy: 0.6715334130119345
Energy: 0.6290371336790177
Energy: 0.6715334130119345
Energy: 0.5975894904079402
Energy: 0.7314369193152208
Energy: 0.5975894904079402
Energy: 0.7314369193152208
Energy: 0.5975894904079402
Energy: 0.7314369193152208
Energy: 0.6952120191747997
Energy: 0.6268966200883791
Energy: 0.6952120191747997
Energy: 0.6268966200883791
Energy: 0.6952120191747997
Energy: 0.6268966200883791
Energy: 0.6447729465187296
Energy: 0.6280777663460857
Energy: 0.6447729465187296
Energy: 0.6280777663460857
Energy: 0.6447729465187296
Energy: 0.6280777663460857
Energy: 0.6487483175696465
Energy: 0.7073604172660671
Energy: 0.6487483175696465
Energy: 0.7073604172660671
Energy: 0.6487483175696465
Energy: 0.7073604172660671
Energy: 0.6674106620111464
Energy: 0.6847975745358496
Energy: 0.6674106620111464
Energy: 0.6847975745358496
Energy: 0.6674106620111464
Energy: 0.6847975745365191
Energy: 0.5993989458534594
Energy: 0.7418831588663934
Energy: 0.5993989458534594
Energy: 0.7418831588663934
Energy: 0.59939894585279
Energy: 0.741883158865724
Energy: 0.6273540772140132
Energy: 0.6739133827026357
Energy: 0.6273540772140132
Energy: 0.6739133827026357
Energy: 0.6273540772140132
Energy: 0.6739133827026357
Energy: 0.6604481861328164
Energy: 0.6632581060111086
Energy: 0.6604481861321467
Energy: 0.6632581060111086
Energy: 0.6604481861328164
Energy: 0.6632581060111086
Energy: 0.5859062498877757
Energy: 0.7452726172560322
Energy: 0.5859062498877757
Energy: 0.7452726172567018
Energy: 0.5859062498884453
Energy: 0.7452726172567018
Energy: 0.6470102661365292
Energy: 0.6440623437842313
Energy: 0.6470102661365292
Energy: 0.6440623437842313
Energy: 0.6470102661365292
Energy: 0.6440623437842313
Energy: 0.6484429844023653
Energy: 0.7451957643811394
Energy: 0.6484429844023653
Energy: 0.7451957643811394
Energy: 0.6484429844023653
Energy: 0.7451957643818089
Energy: 0.641968832602284
Energy: 0.7941469852869719
Energy: 0.641968832602284
Energy: 0.7941469852876414
Energy: 0.641968832602284
Energy: 0.7941469852876414
Energy: 0.6271241109265605
Energy: 0.643233757961137
Energy: 0.6271241109265605
Energy: 0.643233757961137
Energy: 0.6271241109265605
Energy: 0.643233757961137
Energy: 0.5947148371120573
Energy: 0.7415452274116969
Energy: 0.5947148371120573
Energy: 0.7415452274116969
Energy: 0.5947148371120573
Energy: 0.7415452274116969

minimum gb energy = 0.5856219909959784 eV
minimum distance =  2.33290131019329 Angstroms
sigma value = 43


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

Energy: 0.6782179793433718
Energy: 0.5636851968975157
Energy: 0.6782179793433718
Energy: 0.5636851968975157
Energy: 0.6782179793433718
Energy: 0.5636851968975157
Energy: 0.615876974103122
Energy: 0.5742373800387841
Energy: 0.615876974103122
Energy: 0.5742373800387841
Energy: 0.615876974103122
Energy: 0.5742373800387841
Energy: 0.6356602184307426
Energy: 0.5585529879697856
Energy: 0.6356602184302548
Energy: 0.5585529879697856
Energy: 0.6356602184307426
Energy: 0.5585529879692978
Energy: 0.7137407095690385
Energy: 0.588461125528994
Energy: 0.7137407095690385
Energy: 0.588461125528994
Energy: 0.7137407095695263
Energy: 0.588461125528994
Energy: 0.6140204830537299
Energy: 0.5443859013830773
Energy: 0.6140204830542177
Energy: 0.5443859013830773
Energy: 0.6140204830537299
Energy: 0.5443859013830773
Energy: 0.5778301503976713
Energy: 0.553587511003308
Energy: 0.5778301503976713
Energy: 0.553587511003308
Energy: 0.5778301503976713
Energy: 0.553587511003308
Energy: 0.5246454971404274
Energy: 0.5694275229226465
Energy: 0.5246454971404274
Energy: 0.5694275229226465
Energy: 0.5246454971404274
Energy: 0.5694275229221587
Energy: 0.743707884099046
Energy: 0.5364518333032299
Energy: 0.743707884099046
Energy: 0.5364518333032299
Energy: 0.743707884099046
Energy: 0.5364518333032299
Energy: 0.5523136041579726
Energy: 0.5463553744655887
Energy: 0.5523136041579726
Energy: 0.5463553744655887
Energy: 0.5523136041579726
Energy: 0.5463553744655887
Energy: 0.6180848455148439
Energy: 0.5415477432667819
Energy: 0.6180848455148439
Energy: 0.5415477432667819
Energy: 0.6180848455148439
Energy: 0.5415477432672697
Energy: 0.6677687743812295
Energy: 0.5983434701318491
Energy: 0.6677687743812295
Energy: 0.5983434701318491
Energy: 0.6677687743812295
Energy: 0.5983434701318491
Energy: 0.5249707297103476
Energy: 0.5482820134116161
Energy: 0.5249707297103476
Energy: 0.5482820134116161
Energy: 0.5249707297103476
Energy: 0.5482820134111283
Energy: 0.6171883244759626
Energy: 0.5170078992719264
Energy: 0.6171883244759626
Energy: 0.5170078992719264
Energy: 0.6171883244759626
Energy: 0.5170078992719264
Energy: 0.6654732409327208
Energy: 0.5984628763946449
Energy: 0.6654732409327208
Energy: 0.5984628763946449
Energy: 0.6654732409327208
Energy: 0.5984628763946449
Energy: 0.5415375259408934
Energy: 0.5473036244180136
Energy: 0.5415375259408934
Energy: 0.5473036244185014
Energy: 0.5415375259404055
Energy: 0.5473036244180136
Energy: 0.5792663994844891
Energy: 0.5739290167477075
Energy: 0.5792663994844891
Energy: 0.5739290167477075
Energy: 0.5792663994844891
Energy: 0.5739290167472196
Energy: 0.6163831655350404
Energy: 0.6590815202830249
Energy: 0.6163831655350404
Energy: 0.6590815202830249
Energy: 0.6163831655350404
Energy: 0.659081520282537
Energy: 0.5575293339966111
Energy: 0.5475540649281757
Energy: 0.5575293339966111
Energy: 0.5475540649281757
Energy: 0.5575293339966111
Energy: 0.5475540649281757
Energy: 0.5558717869677314
Energy: 0.6082870839788671
Energy: 0.5558717869677314
Energy: 0.6082870839793548
Energy: 0.5558717869677314
Energy: 0.6082870839793548
Energy: 0.5773663742605853
Energy: 0.5994202272768264
Energy: 0.5773663742605853
Energy: 0.5994202272768264
Energy: 0.5773663742605853
Energy: 0.5994202272768264
Energy: 0.6036374523326716
Energy: 0.5732079335814435
Energy: 0.6036374523326716
Energy: 0.5732079335819313
Energy: 0.6036374523326716
Energy: 0.5732079335814435
Energy: 0.5720418605927896
Energy: 0.6100068815640088
Energy: 0.5720418605927896
Energy: 0.6100068815640088
Energy: 0.5720418605927896
Energy: 0.6100068815640088
Energy: 0.5895222557687899
Energy: 0.609542171169537
Energy: 0.5895222557692776
Energy: 0.6095421711700248
Energy: 0.5895222557692776
Energy: 0.609542171169537
Energy: 0.6454324899442718
Energy: 0.6744849299011328
Energy: 0.6454324899442718
Energy: 0.6744849299016206
Energy: 0.6454324899442718
Energy: 0.6744849299016206
Energy: 0.6089370775985621
Energy: 0.5982144315694886
Energy: 0.6089370775985621
Energy: 0.5982144315690007
Energy: 0.6089370775985621
Energy: 0.5982144315694886
Energy: 0.5428971340910458
Energy: 0.587473044139818
Energy: 0.5428971340910458
Energy: 0.5874730441393303
Energy: 0.5428971340910458
Energy: 0.587473044139818
Energy: 0.5874512473378453
Energy: 0.5384465836845551
Energy: 0.5874512473378453
Energy: 0.5384465836840672
Energy: 0.5874512473378453
Energy: 0.5384465836840672
Energy: 0.5218370394900933
Energy: 0.5952651087459123
Energy: 0.5218370394900933
Energy: 0.5952651087459123
Energy: 0.5218370394900933
Energy: 0.5952651087459123
Energy: 0.539847978373262
Energy: 0.5510688022364786
Energy: 0.539847978373262
Energy: 0.5510688022364786
Energy: 0.539847978373262
Energy: 0.5510688022364786
Energy: 0.5377884436568836
Energy: 0.6683336644254059
Energy: 0.5377884436568836
Energy: 0.6683336644249179
Energy: 0.5377884436563958
Energy: 0.6683336644249179
Energy: 0.5144369069802691
Energy: 0.5948964807229611
Energy: 0.5144369069802691
Energy: 0.5948964807234489
Energy: 0.5144369069802691
Energy: 0.5948964807229611
Energy: 0.5403429082627085
Energy: 0.5324174622956689
Energy: 0.5403429082627085
Energy: 0.5324174622956689
Energy: 0.5403429082627085
Energy: 0.5324174622956689
Energy: 0.5216863669054937
Energy: 0.5967869821022138
Energy: 0.5216863669054937
Energy: 0.5967869821022138
Energy: 0.5216863669054937
Energy: 0.5967869821022138
Energy: 0.6194374693862456
Energy: 0.6695922851240107
Energy: 0.6194374693862456
Energy: 0.6695922851240107
Energy: 0.6194374693862456
Energy: 0.6695922851240107
Energy: 0.5410272251160754
Energy: 0.5179066953109588
Energy: 0.5410272251160754
Energy: 0.5179066953109588
Energy: 0.5410272251160754
Energy: 0.5179066953109588
Energy: 0.4855461683897728
Energy: 0.5966615129001305
Energy: 0.4855461683897728
Energy: 0.5966615129001305
Energy: 0.4855461683897728
Energy: 0.5966615129001305

minimum gb energy = 0.4855461683897728 eV
minimum distance =  2.32401271393835 Angstroms
sigma value = 81


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

Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.029235474366719045
Energy: 0.06393864643146072
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.44084817250494956
Energy: 0.030200768755426023
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.4408508134706146
Energy: 0.030209625500919244
Energy: 0.029235474366719045
Energy: 0.06393864642966839
Energy: 0.029235474366719045
Energy: 0.06393864642966839
Energy: 0.029235474366719045
Energy: 0.06393864643146072

minimum gb energy = 0.029235474366719045 eV
minimum distance =  2.51325684545844 Angstroms
sigma value = 3


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

Energy: 0.5601364730169989
Energy: 0.517976468693
Energy: 0.5601364730169989
Energy: 0.517976468693
Energy: 0.5601364730169989
Energy: 0.517976468693
Energy: 0.46180096921770797
Energy: 0.5126607707758948
Energy: 0.46180096921770797
Energy: 0.5126607707758948
Energy: 0.46180096921770797
Energy: 0.5126607707758948
Energy: 0.521508846150501
Energy: 0.5127882715004906
Energy: 0.521508846150501
Energy: 0.5127882715004906
Energy: 0.521508846150501
Energy: 0.5127882715004906
Energy: 0.5496673265619587
Energy: 0.5607465730137938
Energy: 0.5496673265619587
Energy: 0.5607465730137938
Energy: 0.5496673265619587
Energy: 0.5607465730137938
Energy: 0.44472414133692845
Energy: 0.5186134798481495
Energy: 0.44472414133692845
Energy: 0.5186134798481495
Energy: 0.44472414133692845
Energy: 0.5186134798481495
Energy: 0.5228365523211145
Energy: 0.5197879079125632
Energy: 0.5228365523211145
Energy: 0.5197879079125632
Energy: 0.5228365523211145
Energy: 0.5197879079125632
Energy: 0.5153888251973247
Energy: 0.5041113543367961
Energy: 0.5153888251973247
Energy: 0.5041113543367961
Energy: 0.5153888251973247
Energy: 0.5041113543367961
Energy: 0.44065680151907194
Energy: 0.5188859544841472
Energy: 0.44065680151907194
Energy: 0.5188859544841472
Energy: 0.44065680151907194
Energy: 0.5188859544846836
Energy: 0.5320547320894238
Energy: 0.524302697888634
Energy: 0.5320547320894238
Energy: 0.524302697888634
Energy: 0.5320547320894238
Energy: 0.5243026978880977
Energy: 0.4996993982032817
Energy: 0.4771109465244454
Energy: 0.4996993982032817
Energy: 0.4771109465249818
Energy: 0.4996993982032817
Energy: 0.4771109465249818
Energy: 0.4713798343744607
Energy: 0.5096580653281494
Energy: 0.4713798343739243
Energy: 0.5096580653281494
Energy: 0.4713798343739243
Energy: 0.5096580653281494
Energy: 0.5446957913007267
Energy: 0.5500271820706767
Energy: 0.5446957913007267
Energy: 0.5500271820706767
Energy: 0.5446957913007267
Energy: 0.5500271820706767
Energy: 0.5145039329813919
Energy: 0.451725816226382
Energy: 0.5145039329808554
Energy: 0.451725816226382
Energy: 0.5145039329808554
Energy: 0.451725816226382
Energy: 0.4911193219020755
Energy: 0.5375828960538283
Energy: 0.49111932190153906
Energy: 0.5375828960538283
Energy: 0.4911193219020755
Energy: 0.5375828960538283
Energy: 0.5190050139793027
Energy: 0.5353227156699507
Energy: 0.5190050139793027
Energy: 0.5353227156699507
Energy: 0.5190050139793027
Energy: 0.5353227156699507
Energy: 0.5187965888600562
Energy: 0.44446286259796797
Energy: 0.5187965888600562
Energy: 0.4444628625985043
Energy: 0.5187965888600562
Energy: 0.4444628625985043
Energy: 0.5171288220557264
Energy: 0.5502336153212329
Energy: 0.5171288220557264
Energy: 0.5502336153212329
Energy: 0.5171288220557264
Energy: 0.5502336153212329
Energy: 0.5198471442562441
Energy: 0.5115953094107414
Energy: 0.5198471442562441
Energy: 0.5115953094107414
Energy: 0.5198471442562441
Energy: 0.5115953094107414
Energy: 0.5186594296962497
Energy: 0.49448194721404787
Energy: 0.5186594296962497
Energy: 0.49448194721404787
Energy: 0.5186594296962497
Energy: 0.49448194721404787
Energy: 0.5046905166164743
Energy: 0.5747564854741131
Energy: 0.5046905166164743
Energy: 0.5747564854741131
Energy: 0.5046905166164743
Energy: 0.5747564854741131
Energy: 0.5332748418360118
Energy: 0.5026275008618103
Energy: 0.5332748418360118
Energy: 0.5026275008618103
Energy: 0.5332748418360118
Energy: 0.5026275008618103
Energy: 0.5044594765630618
Energy: 0.4999176522520819
Energy: 0.5044594765630618
Energy: 0.4999176522520819
Energy: 0.5044594765630618
Energy: 0.4999176522520819
Energy: 0.5149818117021484
Energy: 0.5035461420397489
Energy: 0.5149818117021484
Energy: 0.5035461420397489
Energy: 0.5149818117021484
Energy: 0.5035461420392126
Energy: 0.5216029125605159
Energy: 0.4959993904534324
Energy: 0.5216029125599796
Energy: 0.4959993904534324
Energy: 0.5216029125599796
Energy: 0.4959993904534324
Energy: 0.5149024687910847
Energy: 0.5223021271881666
Energy: 0.5149024687905485
Energy: 0.5223021271887028
Energy: 0.5149024687905485
Energy: 0.5223021271881666
Energy: 0.5075343878563718
Energy: 0.5207132375590698
Energy: 0.5075343878563718
Energy: 0.5207132375590698
Energy: 0.5075343878563718
Energy: 0.5207132375590698
Energy: 0.6005467756315644
Energy: 0.43915542448904954
Energy: 0.6005467756315644
Energy: 0.43915542448904954
Energy: 0.6005467756315644
Energy: 0.43915542448904954
Energy: 0.5189798890740668
Energy: 0.5368612200405686
Energy: 0.5189798890740668
Energy: 0.5368612200405686
Energy: 0.5189798890740668
Energy: 0.5368612200405686
Energy: 0.4969128768504596
Energy: 0.518661313298623
Energy: 0.4969128768504596
Energy: 0.518661313298623
Energy: 0.4969128768504596
Energy: 0.518661313298623
Energy: 0.5880568901264649
Energy: 0.4720479974080264
Energy: 0.5880568901264649
Energy: 0.47204799740749
Energy: 0.5880568901264649
Energy: 0.4720479974080264
Energy: 0.530534213183673
Energy: 0.5317854575574097
Energy: 0.5305342131831366
Energy: 0.5317854575574097
Energy: 0.530534213183673
Energy: 0.5317854575574097
Energy: 0.47495175987141636
Energy: 0.5057951984581545
Energy: 0.47495175987141636
Energy: 0.5057951984581545
Energy: 0.47495175987141636
Energy: 0.5057951984581545
Energy: 0.5355981185115526
Energy: 0.5186436857609579
Energy: 0.5355981185115526
Energy: 0.5186436857609579
Energy: 0.5355981185115526
Energy: 0.5186436857609579

minimum gb energy = 0.43915542448904954 eV
minimum distance =  2.37718242962724 Angstroms
sigma value = 67


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

Energy: 0.6995544590835282
Energy: 0.6455155579417788
Energy: 0.6995544590835282
Energy: 0.6455155579417788
Energy: 0.6995544590835282
Energy: 0.6455155579417788
Energy: 0.639698784369925
Energy: 0.6526481538775096
Energy: 0.639698784369925
Energy: 0.6526481538775096
Energy: 0.639698784369925
Energy: 0.6526481538775096
Energy: 0.6731943454763378
Energy: 0.6635640431761205
Energy: 0.6731943454763378
Energy: 0.6635640431761205
Energy: 0.6731943454763378
Energy: 0.6635640431761205
Energy: 0.6818056524524695
Energy: 0.6472690990644554
Energy: 0.6818056524532338
Energy: 0.6472690990644554
Energy: 0.6818056524532338
Energy: 0.6472690990644554
Energy: 0.576593932946331
Energy: 0.6282846702384178
Energy: 0.576593932946331
Energy: 0.6282846702384178
Energy: 0.576593932946331
Energy: 0.6282846702384178
Energy: 0.6724595411769868
Energy: 0.6617065775314203
Energy: 0.6724595411769868
Energy: 0.6617065775314203
Energy: 0.6724595411769868
Energy: 0.6617065775314203
Energy: 0.6323438579323247
Energy: 0.6269723744359107
Energy: 0.6323438579323247
Energy: 0.6269723744351464
Energy: 0.6323438579323247
Energy: 0.6269723744351464
Energy: 0.631607809628012
Energy: 0.6155510848981623
Energy: 0.631607809628012
Energy: 0.6155510848981623
Energy: 0.631607809628012
Energy: 0.6155510848981623
Energy: 0.6894890723507234
Energy: 0.6988245607533481
Energy: 0.6894890723507234
Energy: 0.6988245607533481
Energy: 0.6894890723499593
Energy: 0.6988245607533481
Energy: 0.6533596850961051
Energy: 0.5908204940472495
Energy: 0.6533596850961051
Energy: 0.5908204940472495
Energy: 0.6533596850961051
Energy: 0.5908204940472495
Energy: 0.6546177064439347
Energy: 0.6661418788555954
Energy: 0.6546177064439347
Energy: 0.6661418788555954
Energy: 0.6546177064439347
Energy: 0.6661418788555954
Energy: 0.6370893216055428
Energy: 0.6636995203378637
Energy: 0.6370893216055428
Energy: 0.6636995203378637
Energy: 0.6370893216055428
Energy: 0.6636995203378637
Energy: 0.652313161820963
Energy: 0.6316673701210204
Energy: 0.652313161820963
Energy: 0.6316673701210204
Energy: 0.652313161820963
Energy: 0.6316673701210204
Energy: 0.6415533283966709
Energy: 0.6778445014184319
Energy: 0.6415533283959066
Energy: 0.6778445014184319
Energy: 0.6415533283966709
Energy: 0.6778445014184319
Energy: 0.641162775938935
Energy: 0.6339196592155136
Energy: 0.6411627759396992
Energy: 0.6339196592155136
Energy: 0.6411627759396992
Energy: 0.6339196592155136
Energy: 0.6739727086116333
Energy: 0.6449488511688294
Energy: 0.6739727086116333
Energy: 0.6449488511680651
Energy: 0.6739727086116333
Energy: 0.6449488511680651
Energy: 0.6605523507642939
Energy: 0.6683328450002815
Energy: 0.6605523507642939
Energy: 0.6683328450002815
Energy: 0.6605523507642939
Energy: 0.6683328450002815
Energy: 0.6459695113762711
Energy: 0.6243825255755977
Energy: 0.6459695113770354
Energy: 0.6243825255748334
Energy: 0.6459695113770354
Energy: 0.6243825255748334
Energy: 0.6573054543133552
Energy: 0.6773950438631056
Energy: 0.6573054543125909
Energy: 0.6773950438623414
Energy: 0.6573054543133552
Energy: 0.6773950438623414
Energy: 0.5802069829270182
Energy: 0.6644482092514589
Energy: 0.5802069829262541
Energy: 0.6644482092514589
Energy: 0.5802069829270182
Energy: 0.6644482092514589
Energy: 0.6917102082706289
Energy: 0.6356526197456467
Energy: 0.6917102082706289
Energy: 0.6356526197456467
Energy: 0.6917102082706289
Energy: 0.6356526197448824
Energy: 0.6869264286149402
Energy: 0.7025725948832399
Energy: 0.6869264286149402
Energy: 0.7025725948832399
Energy: 0.6869264286149402
Energy: 0.7025725948824756
Energy: 0.584315843341124
Energy: 0.6653769118941725
Energy: 0.584315843341124
Energy: 0.6653769118941725
Energy: 0.5843158433418881
Energy: 0.6653769118941725

minimum gb energy = 0.576593932946331 eV
minimum distance =  2.37973809980717 Angstroms
sigma value = 33


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

Energy: 0.7893638235667542
Energy: 0.7217174487470389
Energy: 0.7893638235672389
Energy: 0.7217174487470389
Energy: 0.7893638235667542
Energy: 0.7217174487470389
Energy: 0.7207307856697664
Energy: 0.7372901415412069
Energy: 0.7207307856697664
Energy: 0.7372901415412069
Energy: 0.7207307856697664
Energy: 0.7372901415412069
Energy: 0.7624740091912975
Energy: 0.7443998534243765
Energy: 0.7624740091912975
Energy: 0.7443998534243765
Energy: 0.7624740091912975
Energy: 0.7443998534243765
Energy: 0.7643526477432379
Energy: 0.7396493978143966
Energy: 0.7643526477432379
Energy: 0.7396493978143966
Energy: 0.7643526477432379
Energy: 0.7396493978143966
Energy: 0.7296616728098941
Energy: 0.737105901997187
Energy: 0.7296616728098941
Energy: 0.737105901997187
Energy: 0.7296616728098941
Energy: 0.737105901997187
Energy: 0.804633985208953
Energy: 0.7796807445156179
Energy: 0.804633985208953
Energy: 0.7796807445156179
Energy: 0.804633985208953
Energy: 0.7796807445156179
Energy: 0.723315244718133
Energy: 0.7038410070373975
Energy: 0.723315244718133
Energy: 0.7038410070373975
Energy: 0.7233152447186177
Energy: 0.7038410070373975
Energy: 0.7671087708667248
Energy: 0.7634065084086294
Energy: 0.7671087708667248
Energy: 0.7634065084086294
Energy: 0.7671087708672095
Energy: 0.7634065084086294
Energy: 0.7305600550198101
Energy: 0.7700314643127532
Energy: 0.7305600550198101
Energy: 0.7700314643127532
Energy: 0.7305600550193253
Energy: 0.7700314643127532
Energy: 0.7752822329880721
Energy: 0.726467154751035
Energy: 0.7752822329880721
Energy: 0.726467154751035
Energy: 0.7752822329880721
Energy: 0.726467154751035
Energy: 0.7558522819002443
Energy: 0.7441327217870531
Energy: 0.7558522819002443
Energy: 0.7441327217870531
Energy: 0.7558522819002443
Energy: 0.7441327217865684
Energy: 0.7229034568908695
Energy: 0.727304071867608
Energy: 0.7229034568908695
Energy: 0.727304071867608
Energy: 0.7229034568908695
Energy: 0.727304071867608
Energy: 0.7764777950503039
Energy: 0.7253045572366813
Energy: 0.7764777950503039
Energy: 0.7253045572366813
Energy: 0.7764777950503039
Energy: 0.7253045572366813
Energy: 0.7278715481115621
Energy: 0.748126334188348
Energy: 0.7278715481115621
Energy: 0.748126334188348
Energy: 0.7278715481115621
Energy: 0.748126334188348
Energy: 0.7473956925383427
Energy: 0.7371277217231333
Energy: 0.7473956925383427
Energy: 0.7371277217236183
Energy: 0.7473956925383427
Energy: 0.7371277217236183
Energy: 0.7634642539911158
Energy: 0.7620811613502061
Energy: 0.7634642539906311
Energy: 0.7620811613497213
Energy: 0.7634642539911158
Energy: 0.7620811613497213
Energy: 0.6800637135115757
Energy: 0.7453708301742881
Energy: 0.6800637135125454
Energy: 0.7453708301742881
Energy: 0.6800637135120605
Energy: 0.7453708301742881
Energy: 0.7835137725037287
Energy: 0.8052019082385307
Energy: 0.7835137725032438
Energy: 0.8052019082385307
Energy: 0.7835137725037287
Energy: 0.8052019082390155
Energy: 0.7235729937895679
Energy: 0.7801082464606048
Energy: 0.7235729937895679
Energy: 0.7801082464606048
Energy: 0.723572993789083
Energy: 0.7801082464606048
Energy: 0.7278260002806043
Energy: 0.7658505150932063
Energy: 0.7278260002801195
Energy: 0.7658505150932063
Energy: 0.7278260002806043
Energy: 0.7658505150932063
Energy: 0.7607061487700426
Energy: 0.7642785026456707
Energy: 0.7607061487700426
Energy: 0.7642785026456707
Energy: 0.7607061487700426
Energy: 0.7642785026456707
Energy: 0.7385018578504239
Energy: 0.7136146079590442
Energy: 0.7385018578504239
Energy: 0.7136146079590442
Energy: 0.7385018578504239
Energy: 0.7136146079590442
Energy: 0.7637740164369949
Energy: 0.74422829779112
Energy: 0.7637740164369949
Energy: 0.74422829779112
Energy: 0.7637740164369949
Energy: 0.74422829779112
Energy: 0.7729892945607989
Energy: 0.7232647360943092
Energy: 0.7729892945607989
Energy: 0.723264736094794
Energy: 0.7729892945607989
Energy: 0.7232647360943092
Energy: 0.7209877498650751
Energy: 0.7268374191405826
Energy: 0.7209877498645902
Energy: 0.7268374191410676
Energy: 0.7209877498650751
Energy: 0.7268374191405826
Energy: 0.7748449609205996
Energy: 0.7614710767467321
Energy: 0.7748449609205996
Energy: 0.7614710767467321
Energy: 0.7748449609205996
Energy: 0.7614710767467321
Energy: 0.7229138100493648
Energy: 0.7141117620957848
Energy: 0.7229138100493648
Energy: 0.7141117620957848
Energy: 0.7229138100493648
Energy: 0.7141117620957848
Energy: 0.7609549730289473
Energy: 0.7944093939676322
Energy: 0.7609549730289473
Energy: 0.7944093939676322
Energy: 0.7609549730284624
Energy: 0.7944093939681169
Energy: 0.7228462203849549
Energy: 0.7368581330618373
Energy: 0.7228462203849549
Energy: 0.7368581330618373
Energy: 0.7228462203849549
Energy: 0.7368581330618373
Energy: 0.7173555970295034
Energy: 0.7019767019853277
Energy: 0.7173555970295034
Energy: 0.7019767019853277
Energy: 0.7173555970295034
Energy: 0.7019767019853277
Energy: 0.8048554991784336
Energy: 0.7912111297500775
Energy: 0.8048554991784336
Energy: 0.7912111297500775
Energy: 0.8048554991784336
Energy: 0.7912111297500775
Energy: 0.7340610785910194
Energy: 0.7379608616600501
Energy: 0.7340610785910194
Energy: 0.7379608616595653
Energy: 0.7340610785910194
Energy: 0.7379608616600501
Energy: 0.7647230122696892
Energy: 0.7629384935051825
Energy: 0.7647230122696892
Energy: 0.7629384935046978
Energy: 0.7647230122696892
Energy: 0.7629384935046978
Energy: 0.7432891931426775
Energy: 0.737374607738552
Energy: 0.7432891931426775
Energy: 0.737374607738552
Energy: 0.7432891931426775
Energy: 0.737374607738552
Energy: 0.7236188436984344
Energy: 0.74519808847088
Energy: 0.7236188436984344
Energy: 0.74519808847088
Energy: 0.7236188436984344
Energy: 0.74519808847088
Energy: 0.7890888466809377
Energy: 0.7206886616908162
Energy: 0.7890888466799681
Energy: 0.7206886616908162
Energy: 0.789088846680453
Energy: 0.7206886616908162
Energy: 0.7229692872801468
Energy: 0.7358058978730008
Energy: 0.7229692872801468
Energy: 0.735805897872516
Energy: 0.7229692872801468
Energy: 0.735805897872516

minimum gb energy = 0.6800637135115757 eV
minimum distance =  2.36339776096109 Angstroms
sigma value = 41


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

Energy: 0.8992843808804023
Energy: 0.8563332684443572
Energy: 0.8992843808804023
Energy: 0.8563332684443572
Energy: 0.8992843808804023
Energy: 0.8563332684443572
Energy: 0.8406946705340926
Energy: 0.8802325378232386
Energy: 0.8406946705340926
Energy: 0.8802325378232386
Energy: 0.8406946705340926
Energy: 0.8802325378232386
Energy: 0.9426142167795476
Energy: 0.868485080968028
Energy: 0.9426142167795476
Energy: 0.868485080968028
Energy: 0.9426142167795476
Energy: 0.868485080968028
Energy: 0.8968266975984377
Energy: 0.9102427102451071
Energy: 0.8968266975984377
Energy: 0.9102427102451071
Energy: 0.8968266975984377
Energy: 0.9102427102451071
Energy: 0.8323785061262523
Energy: 0.8605669728151556
Energy: 0.8323785061262523
Energy: 0.8605669728151556
Energy: 0.8323785061262523
Energy: 0.8605669728151556
Energy: 0.9428888558859393
Energy: 0.9308210239408933
Energy: 0.9428888558859393
Energy: 0.9308210239408933
Energy: 0.9428888558859393
Energy: 0.9308210239408933
Energy: 0.8920861209288565
Energy: 0.8248630838387959
Energy: 0.8920861209288565
Energy: 0.8248630838387959
Energy: 0.8920861209288565
Energy: 0.8248630838387959
Energy: 0.8909389697395314
Energy: 0.8724633013898163
Energy: 0.8909389697395314
Energy: 0.8724633013898163
Energy: 0.8909389697395314
Energy: 0.8724633013898163
Energy: 0.8441333313882444
Energy: 0.8422210890419314
Energy: 0.8441333313882444
Energy: 0.8422210890419314
Energy: 0.8441333313882444
Energy: 0.8422210890419314
Energy: 0.8933377292795178
Energy: 0.8679765451516706
Energy: 0.8933377292795178
Energy: 0.8679765451516706
Energy: 0.8933377292795178
Energy: 0.8679765451516706
Energy: 0.8419632885713888
Energy: 0.8684148388015556
Energy: 0.8419632885713888
Energy: 0.8684148388015556
Energy: 0.8419632885713888
Energy: 0.8684148388015556
Energy: 0.8871766747738841
Energy: 0.8794658678095066
Energy: 0.8871766747738841
Energy: 0.8794658678095066
Energy: 0.8871766747738841
Energy: 0.8794658678095066
Energy: 0.9036001577682073
Energy: 0.911798631572028
Energy: 0.9036001577682073
Energy: 0.911798631572028
Energy: 0.9036001577682073
Energy: 0.911798631572028
Energy: 0.8328184779303648
Energy: 0.8794832465250044
Energy: 0.8328184779303648
Energy: 0.8794832465250044
Energy: 0.8328184779303648
Energy: 0.8794832465250044

minimum gb energy = 0.8248630838387959 eV
minimum distance =  2.347772072691 Angstroms
sigma value = 11


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

Energy: 1.0467289162407643
Energy: 1.0084449240046436
Energy: 1.0467289162407643
Energy: 1.0084449240046436
Energy: 1.0467289162407643
Energy: 1.0084449240046436
Energy: 0.9234383537153877
Energy: 0.9737012248309848
Energy: 0.9234383537153877
Energy: 0.9737012248309848
Energy: 0.9234383537153877
Energy: 0.9737012248309848
Energy: 0.9827319196393237
Energy: 0.9767436693905233
Energy: 0.9827319196393237
Energy: 0.9767436693905233
Energy: 0.9827319196393237
Energy: 0.9767436693905233
Energy: 0.9773553429736089
Energy: 0.933082142494554
Energy: 0.9773553429736089
Energy: 0.933082142494554
Energy: 0.9773553429736089
Energy: 0.9330821424951355
Energy: 0.9949643725604611
Energy: 0.9729542832763959
Energy: 0.9949643725604611
Energy: 0.9729542832763959
Energy: 0.9949643725604611
Energy: 0.9729542832763959
Energy: 0.9605083432921353
Energy: 1.0016558114860243
Energy: 0.9605083432921353
Energy: 1.0016558114860243
Energy: 0.9605083432921353
Energy: 1.0016558114860243
Energy: 0.9813791649789041
Energy: 0.975705230086189
Energy: 0.9813791649789041
Energy: 0.9757052300856075
Energy: 0.9813791649783226
Energy: 0.9757052300856075
Energy: 0.9648688624553167
Energy: 0.9781542684503421
Energy: 0.9648688624553167
Energy: 0.9781542684503421
Energy: 0.9648688624553167
Energy: 0.9781542684503421
Energy: 0.9796612615217548
Energy: 0.9709692322969123
Energy: 0.9796612615217548
Energy: 0.9709692322969123
Energy: 0.9796612615217548
Energy: 0.9709692322969123
Energy: 0.9689969375877013
Energy: 0.9818730631739896
Energy: 0.9689969375877013
Energy: 0.9818730631739896
Energy: 0.9689969375877013
Energy: 0.9818730631739896
Energy: 0.9618581798166658
Energy: 0.9889715026960026
Energy: 0.9618581798166658
Energy: 0.9889715026965842
Energy: 0.9618581798166658
Energy: 0.9889715026965842
Energy: 0.9827665946447677
Energy: 1.0145686595204486
Energy: 0.9827665946447677
Energy: 1.0145686595204486
Energy: 0.9827665946447677
Energy: 1.0145686595204486
Energy: 0.9780595876796032
Energy: 0.953584906553641
Energy: 0.9780595876796032
Energy: 0.953584906553641
Energy: 0.9780595876796032
Energy: 0.9535849065542226
Energy: 0.9689583952662699
Energy: 0.9868003244782999
Energy: 0.9689583952662699
Energy: 0.9868003244782999
Energy: 0.9689583952662699
Energy: 0.9868003244782999
Energy: 0.9547937785997073
Energy: 0.9624137641773111
Energy: 0.9547937785997073
Energy: 0.9624137641773111
Energy: 0.9547937786002888
Energy: 0.9624137641773111
Energy: 0.9742143933904711
Energy: 0.957691271937814
Energy: 0.9742143933904711
Energy: 0.9576912719383956
Energy: 0.9742143933904711
Energy: 0.9576912719383956
Energy: 0.9398636143132244
Energy: 0.9750527069850181
Energy: 0.9398636143132244
Energy: 0.9750527069844366
Energy: 0.9398636143132244
Energy: 0.9750527069850181
Energy: 1.0115683932335342
Energy: 0.9999716690450987
Energy: 1.0115683932329527
Energy: 0.9999716690450987
Energy: 1.0115683932329527
Energy: 0.9999716690450987
Energy: 0.9653480399441166
Energy: 0.9123881542507013
Energy: 0.9653480399435351
Energy: 0.9123881542507013
Energy: 0.9653480399441166
Energy: 0.9123881542507013
Energy: 0.9766692201637373
Energy: 0.9680651070659321
Energy: 0.9766692201637373
Energy: 0.9680651070659321
Energy: 0.9766692201637373
Energy: 0.9680651070659321
Energy: 0.9315664492703073
Energy: 0.9552525701198378
Energy: 0.9315664492703073
Energy: 0.9552525701204193
Energy: 0.9315664492703073
Energy: 0.9552525701198378
Energy: 1.0089101510831273
Energy: 1.017281428707029
Energy: 1.0089101510831273
Energy: 1.017281428707029
Energy: 1.0089101510831273
Energy: 1.017281428707029
Energy: 0.9773264494630437
Energy: 0.9712303381171966
Energy: 0.9773264494630437
Energy: 0.9712303381171966
Energy: 0.9773264494630437
Energy: 0.9712303381171966
Energy: 1.0097452473492092
Energy: 0.9735770475707406
Energy: 1.0097452473492092
Energy: 0.9735770475713221
Energy: 1.0097452473492092
Energy: 0.9735770475713221
Energy: 0.9683225429969348
Energy: 0.9669650131187629
Energy: 0.9683225429969348
Energy: 0.9669650131187629
Energy: 0.9683225429969348
Energy: 0.9669650131187629
Energy: 0.9533972629656999
Energy: 0.9691010912441769
Energy: 0.9533972629656999
Energy: 0.9691010912441769
Energy: 0.9533972629656999
Energy: 0.9691010912441769
Energy: 0.9594973876458831
Energy: 1.0002890826545372
Energy: 0.9594973876458831
Energy: 1.0002890826545372
Energy: 0.9594973876458831
Energy: 1.0002890826545372
Energy: 0.9807175611055868
Energy: 0.9521308398870614
Energy: 0.9807175611055868
Energy: 0.9521308398870614
Energy: 0.9807175611055868
Energy: 0.9521308398870614
Energy: 0.9692435885976741
Energy: 0.9828926190747593
Energy: 0.9692435885976741
Energy: 0.9828926190747593
Energy: 0.9692435885976741
Energy: 0.9828926190747593
Energy: 0.9556335304775085
Energy: 0.9160252491416386
Energy: 0.9556335304775085
Energy: 0.9160252491416386
Energy: 0.9556335304775085
Energy: 0.9160252491416386
Energy: 0.9695250815938211
Energy: 1.0084233987988072
Energy: 0.9695250815938211
Energy: 1.0084233987993887
Energy: 0.9695250815938211
Energy: 1.0084233987993887

minimum gb energy = 0.9123881542507013 eV
minimum distance =  2.31591297847505 Angstroms
sigma value = 57


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

Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9958968878003033
Energy: 0.9718584345633372
Energy: 0.9958968878013381
Energy: 0.9718584345633372
Energy: 0.9958968878013381
Energy: 0.9718584345633372
Energy: 0.9353804486692221
Energy: 0.935519220354253
Energy: 0.9353804486692221
Energy: 0.935519220354253
Energy: 0.9353804486692221
Energy: 0.935519220354253
Energy: 0.9921540113149323
Energy: 0.9718688127919162
Energy: 0.992154011315967
Energy: 0.971868812792951
Energy: 0.9921540113149323
Energy: 0.971868812792951
Energy: 0.9814482592530928
Energy: 0.9242922698398708
Energy: 0.9814482592530928
Energy: 0.9242922698398708
Energy: 0.9814482592530928
Energy: 0.9242922698398708
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9958968878003033
Energy: 0.9718584345633372
Energy: 0.9958968878003033
Energy: 0.9718584345633372
Energy: 0.9958968878013381
Energy: 0.9718584345633372
Energy: 0.9353804486692221
Energy: 0.9997160086361825
Energy: 0.9353804486692221
Energy: 0.9997160086361825
Energy: 0.9353804486692221
Energy: 0.9997160086361825
Energy: 0.992154011315967
Energy: 0.971868812792951
Energy: 0.992154011315967
Energy: 0.971868812792951
Energy: 0.9921540113149323
Energy: 0.971868812792951
Energy: 0.9814482592530928
Energy: 0.9242922698398708
Energy: 0.9814482592530928
Energy: 0.9242922698398708
Energy: 0.9814482592530928
Energy: 0.9242922698398708
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9362567372892739
Energy: 0.9166869796134536
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9812163707597616
Energy: 0.9116213462069687
Energy: 0.9958968878013381
Energy: 0.9718584345633372
Energy: 0.9958968878003033
Energy: 0.9718584345633372
Energy: 0.9958968878003033
Energy: 0.9718584345633372
Energy: 0.9353804486692221
Energy: 0.9997160086361825
Energy: 0.9353804486692221
Energy: 0.9997160086361825
Energy: 0.9353804486692221
Energy: 0.9997160086361825
Energy: 0.9921540113149323
Energy: 0.971868812792951
Energy: 0.992154011315967
Energy: 0.971868812792951
Energy: 0.992154011315967
Energy: 0.971868812792951

minimum gb energy = 0.9116213462069687 eV
minimum distance =  2.35247607532484 Angstroms
sigma value = 9


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

Energy: 1.0229375610968194
Energy: 1.0391991345945668
Energy: 1.0229375610968194
Energy: 1.0391991345945668
Energy: 1.0229375610968194
Energy: 1.0391991345945668
Energy: 0.994144938045673
Energy: 0.9948388156897197
Energy: 0.994144938045673
Energy: 0.9948388156897197
Energy: 0.994144938045673
Energy: 0.9948388156897197
Energy: 1.0010491448800167
Energy: 0.9923443751637893
Energy: 1.0010491448800167
Energy: 0.9923443751637893
Energy: 1.0010491448800167
Energy: 0.9923443751637893
Energy: 0.9753540777071793
Energy: 1.0463674171712292
Energy: 0.9753540777071793
Energy: 1.0463674171712292
Energy: 0.9753540777071793
Energy: 1.0463674171712292
Energy: 0.991446149566186
Energy: 1.0053301427211645
Energy: 0.991446149566186
Energy: 1.0053301427220096
Energy: 0.991446149566186
Energy: 1.0053301427211645
Energy: 0.996203732410554
Energy: 0.9952675704268329
Energy: 0.996203732410554
Energy: 0.9952675704268329
Energy: 0.996203732410554
Energy: 0.9952675704268329
Energy: 0.9818838188115124
Energy: 0.9974669368547348
Energy: 0.9818838188115124
Energy: 0.9974669368538899
Energy: 0.9818838188115124
Energy: 0.9974669368547348
Energy: 0.9794253749981826
Energy: 1.0136282561636774
Energy: 0.9794253749981826
Energy: 1.0136282561636774
Energy: 0.9794253749981826
Energy: 1.0136282561636774
Energy: 1.0501910161280603
Energy: 1.031087378875058
Energy: 1.0501910161280603
Energy: 1.031087378875058
Energy: 1.0501910161280603
Energy: 1.031087378875058
Energy: 0.9840603387970611
Energy: 0.9976488512419317
Energy: 0.984060338797906
Energy: 0.9976488512419317
Energy: 0.9840603387970611
Energy: 0.9976488512419317
Energy: 0.9759070876075713
Energy: 0.9905477667059155
Energy: 0.9759070876075713
Energy: 0.9905477667059155
Energy: 0.9759070876075713
Energy: 0.9905477667059155
Energy: 1.0356052893763255
Energy: 0.9971673163203817
Energy: 1.0356052893763255
Energy: 0.9971673163203817
Energy: 1.0356052893763255
Energy: 0.9971673163203817
Energy: 0.9782966464059804
Energy: 1.0171636104367086
Energy: 0.9782966464059804
Energy: 1.0171636104367086
Energy: 0.9782966464059804
Energy: 1.0171636104367086
Energy: 0.9880537802783653
Energy: 0.9859819888608219
Energy: 0.9880537802783653
Energy: 0.9859819888616668
Energy: 0.9880537802783653
Energy: 0.9859819888608219
Energy: 0.9973747733740179
Energy: 0.9875911116344306
Energy: 0.9973747733731729
Energy: 0.9875911116344306
Energy: 0.9973747733731729
Energy: 0.9875911116344306
Energy: 1.0295206789676803
Energy: 0.989650425070449
Energy: 1.0295206789676803
Energy: 0.989650425070449
Energy: 1.0295206789676803
Energy: 0.989650425070449
Energy: 1.0192356897539607
Energy: 0.9899091417177637
Energy: 1.0192356897548056
Energy: 0.9899091417177637
Energy: 1.0192356897548056
Energy: 0.9899091417177637
Energy: 1.1015397049138553
Energy: 0.9890169712115119
Energy: 1.1015397049138553
Energy: 0.9890169712115119
Energy: 1.1015397049138553
Energy: 0.9890169712115119
Energy: 0.9793499470143701
Energy: 1.0038544103960527
Energy: 0.9793499470143701
Energy: 1.0038544103960527
Energy: 0.9793499470143701
Energy: 1.0038544103960527
Energy: 0.9876126277310575
Energy: 1.0014617911937487
Energy: 0.9876126277310575
Energy: 1.0014617911937487
Energy: 0.9876126277310575
Energy: 1.0014617911937487
Energy: 1.0372870319041319
Energy: 1.009623629545205
Energy: 1.0372870319041319
Energy: 1.009623629545205
Energy: 1.0372870319041319
Energy: 1.009623629545205

minimum gb energy = 0.9753540777071793 eV
minimum distance =  2.32100752702015 Angstroms
sigma value = 27


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

Energy: 0.9643087839720627
Energy: 0.9106365942853614
Energy: 0.9643087839720627
Energy: 0.9106365942853614
Energy: 0.9643087839720627
Energy: 0.9106365942853614
Energy: 0.9208088532102205
Energy: 0.9440828388766974
Energy: 0.9208088532095083
Energy: 0.9440828388766974
Energy: 0.9208088532095083
Energy: 0.9440828388766974
Energy: 0.9492657577696606
Energy: 0.9300684847215007
Energy: 0.9492657577696606
Energy: 0.9300684847215007
Energy: 0.9492657577696606
Energy: 0.9300684847215007
Energy: 0.9462007856700803
Energy: 0.9501118144937061
Energy: 0.9462007856700803
Energy: 0.9501118144937061
Energy: 0.9462007856693682
Energy: 0.9501118144937061
Energy: 0.9453386305168939
Energy: 0.910845939466035
Energy: 0.9453386305168939
Energy: 0.910845939466035
Energy: 0.9453386305168939
Energy: 0.910845939466035
Energy: 0.9103764486449237
Energy: 0.9675231855882963
Energy: 0.9103764486449237
Energy: 0.9675231855882963
Energy: 0.9103764486449237
Energy: 0.9675231855882963
Energy: 0.9643311843642316
Energy: 0.908800307144774
Energy: 0.9643311843642316
Energy: 0.9088003071454862
Energy: 0.9643311843642316
Energy: 0.9088003071454862
Energy: 0.9910855047108316
Energy: 0.988363194837457
Energy: 0.9910855047108316
Energy: 0.988363194837457
Energy: 0.9910855047108316
Energy: 0.988363194837457
Energy: 0.9072515222070799
Energy: 0.9679308859470369
Energy: 0.9072515222070799
Energy: 0.9679308859470369
Energy: 0.9072515222070799
Energy: 0.9679308859470369
Energy: 0.9461534385399041
Energy: 0.9082263943185915
Energy: 0.9461534385391921
Energy: 0.9082263943185915
Energy: 0.9461534385399041
Energy: 0.9082263943185915
Energy: 0.9464316157129169
Energy: 0.9082254697874899
Energy: 0.9464316157129169
Energy: 0.9082254697882021
Energy: 0.946431615713629
Energy: 0.9082254697874899
Energy: 0.9072368376914597
Energy: 0.9679075991069445
Energy: 0.9072368376914597
Energy: 0.9679075991069445
Energy: 0.9072368376914597
Energy: 0.9679075991062323
Energy: 0.9906067059240259
Energy: 0.9883838710055558
Energy: 0.9906067059240259
Energy: 0.9883838710048436
Energy: 0.9906067059240259
Energy: 0.9883838710048436
Energy: 0.9643378635253744
Energy: 0.9088319352991837
Energy: 0.9643378635253744
Energy: 0.9088319352991837
Energy: 0.9643378635253744
Energy: 0.9088319352991837
Energy: 0.9104530689064237
Energy: 0.9675245216874849
Energy: 0.9104530689064237
Energy: 0.9675245216874849
Energy: 0.9104530689064237
Energy: 0.9675245216874849
Energy: 0.9454040260264795
Energy: 0.9109442208446379
Energy: 0.9454040260271918
Energy: 0.9109442208446379
Energy: 0.9454040260264795
Energy: 0.9109442208446379
Energy: 0.9461838642165171
Energy: 0.9500721439488403
Energy: 0.9461838642165171
Energy: 0.9500721439495525
Energy: 0.9461838642165171
Energy: 0.9500721439495525
Energy: 0.9492837704492834
Energy: 0.930391606232481
Energy: 0.9492837704492834
Energy: 0.930391606232481
Energy: 0.9492837704492834
Energy: 0.930391606233193
Energy: 0.920957743711623
Energy: 0.9440219109221853
Energy: 0.920957743711623
Energy: 0.9440219109221853
Energy: 0.920957743711623
Energy: 0.9440219109221853
Energy: 0.9643087839720627
Energy: 0.9106365942853614
Energy: 0.9643087839720627
Energy: 0.9106365942853614
Energy: 0.9643087839720627
Energy: 0.9106365942853614
Energy: 0.9208088532095083
Energy: 0.9440828388766974
Energy: 0.9208088532095083
Energy: 0.9440828388766974
Energy: 0.9208088532095083
Energy: 0.9440828388766974
Energy: 0.9492657577696606
Energy: 0.9300684847215007
Energy: 0.9492657577696606
Energy: 0.9300684847215007
Energy: 0.9492657577696606
Energy: 0.9300684847215007
Energy: 0.9462007856700803
Energy: 0.950111814492994
Energy: 0.9462007856700803
Energy: 0.950111814492994
Energy: 0.9462007856700803
Energy: 0.9501118144937061
Energy: 0.9453386305168939
Energy: 0.910845939466035
Energy: 0.9453386305168939
Energy: 0.910845939466035
Energy: 0.9453386305168939
Energy: 0.910845939466035
Energy: 0.9103764486449237
Energy: 0.9675231855882963
Energy: 0.9103764486456357
Energy: 0.9675231855882963
Energy: 0.9103764486449237
Energy: 0.9675231855882963

minimum gb energy = 0.9072368376914597 eV
minimum distance =  2.34786256835395 Angstroms
sigma value = 19


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

Energy: 0.9612330717306488
Energy: 0.9620667796176271
Energy: 0.9612330717306488
Energy: 0.9620667796176271
Energy: 0.9612330717306488
Energy: 0.9620667796176271
Energy: 0.962836485325237
Energy: 0.9509416738401675
Energy: 0.962836485325237
Energy: 0.9509416738401675
Energy: 0.962836485325237
Energy: 0.9509416738401675
Energy: 0.9671273245272376
Energy: 0.9188380669206971
Energy: 0.9671273245266228
Energy: 0.9188380669206971
Energy: 0.9671273245272376
Energy: 0.9188380669206971
Energy: 0.931764900493338
Energy: 0.9666543211484068
Energy: 0.931764900493338
Energy: 0.9666543211484068
Energy: 0.931764900493338
Energy: 0.9666543211484068
Energy: 0.9582039864426413
Energy: 0.9760294526542536
Energy: 0.9582039864426413
Energy: 0.9760294526542536
Energy: 0.9582039864426413
Energy: 0.9760294526542536
Energy: 0.952544227900403
Energy: 0.9357002111679303
Energy: 0.952544227900403
Energy: 0.9357002111679303
Energy: 0.952544227900403
Energy: 0.9357002111679303
Energy: 0.9222936587822984
Energy: 1.026737975202159
Energy: 0.9222936587822984
Energy: 1.0267379752027737
Energy: 0.9222936587822984
Energy: 1.026737975202159
Energy: 0.9583667342973896
Energy: 1.0316920914630878
Energy: 0.9583667342967749
Energy: 1.0316920914630878
Energy: 0.9583667342973896
Energy: 1.0316920914630878
Energy: 1.0056330015271264
Energy: 0.9175413509895358
Energy: 1.0056330015271264
Energy: 0.9175413509895358
Energy: 1.0056330015271264
Energy: 0.9175413509895358
Energy: 0.9784384239855153
Energy: 0.9573893196501483
Energy: 0.9784384239855153
Energy: 0.9573893196501483
Energy: 0.9784384239855153
Energy: 0.9573893196501483
Energy: 0.9242019778582845
Energy: 1.0315812181069044
Energy: 0.9242019778582845
Energy: 1.0315812181069044
Energy: 0.9242019778582845
Energy: 1.0315812181075192
Energy: 0.9659803932910656
Energy: 0.9180564124516232
Energy: 0.9659803932910656
Energy: 0.9180564124516232
Energy: 0.9659803932910656
Energy: 0.9180564124516232
Energy: 0.9571120431756981
Energy: 0.9490308920349426
Energy: 0.9571120431756981
Energy: 0.9490308920349426
Energy: 0.9571120431756981
Energy: 0.9490308920349426
Energy: 0.9330992769317782
Energy: 0.9559283860697043
Energy: 0.9330992769317782
Energy: 0.9559283860697043
Energy: 0.9330992769317782
Energy: 0.9559283860697043
Energy: 0.9749783881669325
Energy: 0.9258117723749439
Energy: 0.9749783881669325
Energy: 0.9258117723743291
Energy: 0.9749783881669325
Energy: 0.9258117723749439
Energy: 0.9634962541599617
Energy: 0.9178700721650558
Energy: 0.9634962541599617
Energy: 0.9178700721650558
Energy: 0.9634962541605764
Energy: 0.9178700721650558
Energy: 0.9312693101354105
Energy: 0.9617299573726084
Energy: 0.9312693101354105
Energy: 0.9617299573726084
Energy: 0.9312693101360253
Energy: 0.9617299573726084
Energy: 0.9668403337230574
Energy: 0.9908339109242704
Energy: 0.9668403337224427
Energy: 0.9908339109248852
Energy: 0.9668403337230574
Energy: 0.9908339109248852
Energy: 0.9462266326460024
Energy: 0.9339581128166506
Energy: 0.9462266326460024
Energy: 0.9339581128166506
Energy: 0.9462266326460024
Energy: 0.9339581128166506
Energy: 0.93894255431095
Energy: 0.9589854019723252
Energy: 0.93894255431095
Energy: 0.9589854019729122
Energy: 0.93894255431095
Energy: 0.9589854019723252
Energy: 0.9315998037894496
Energy: 0.9733618792267635
Energy: 0.9315998037894496
Energy: 0.9733618792267635
Energy: 0.9315998037894496
Energy: 0.9733618792267635
Energy: 1.0083318365309504
Energy: 0.9295317212818915
Energy: 1.0083318365309504
Energy: 0.9295317212818915
Energy: 1.0083318365309504
Energy: 0.9295317212818915
Energy: 1.0081632942958085
Energy: 0.9642248656735511
Energy: 1.0081632942958085
Energy: 0.9642248656735511
Energy: 1.0081632942958085
Energy: 0.9642248656735511
Energy: 0.9602125118975483
Energy: 0.9675451012218399
Energy: 0.9602125118975483
Energy: 0.9675451012218399
Energy: 0.9602125118975483
Energy: 0.9675451012218399
Energy: 0.94793991532952
Energy: 0.9295158105952911
Energy: 0.94793991532952
Energy: 0.9295158105946765
Energy: 0.94793991532952
Energy: 0.9295158105952911
Energy: 0.963171409925196
Energy: 0.9401513092557731
Energy: 0.963171409925196
Energy: 0.9401513092557731
Energy: 0.963171409925196
Energy: 0.9401513092557731
Energy: 0.9175936745336752
Energy: 0.9627570763343793
Energy: 0.9175936745336752
Energy: 0.9627570763343793
Energy: 0.9175936745336752
Energy: 0.9627570763343793
Energy: 0.9690683822399785
Energy: 0.942283046028249
Energy: 0.9690683822393638
Energy: 0.942283046028249
Energy: 0.9690683822393638
Energy: 0.942283046028249
Energy: 0.9589493693511668
Energy: 0.9424592029562273
Energy: 0.9589493693511668
Energy: 0.9424592029568422
Energy: 0.9589493693511668
Energy: 0.9424592029562273

minimum gb energy = 0.9175413509895358 eV
minimum distance =  2.32180547429508 Angstroms
sigma value = 101


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

Energy: 0.9094004148778868
Energy: 0.9721793026496669
Energy: 0.9094004148778868
Energy: 0.9721793026496669
Energy: 0.9094004148773465
Energy: 0.9721793026496669
Energy: 0.9610692738583062
Energy: 0.9027562868964655
Energy: 0.9610692738588466
Energy: 0.9027562868964655
Energy: 0.9610692738588466
Energy: 0.9027562868964655
Energy: 0.9513200371984524
Energy: 0.8760827156469012
Energy: 0.9513200371984524
Energy: 0.8760827156469012
Energy: 0.9513200371984524
Energy: 0.8760827156469012
Energy: 0.8697326394052362
Energy: 0.9523568366425169
Energy: 0.8697326394052362
Energy: 0.9523568366425169
Energy: 0.8697326394052362
Energy: 0.9523568366425169
Energy: 0.9097215651372027
Energy: 0.9443756477871385
Energy: 0.9097215651377432
Energy: 0.9443756477871385
Energy: 0.9097215651372027
Energy: 0.9443756477871385
Energy: 0.9519791520721392
Energy: 0.8764224035882704
Energy: 0.9519791520721392
Energy: 0.8764224035882704
Energy: 0.9519791520721392
Energy: 0.8764224035882704
Energy: 0.9042294012518552
Energy: 0.9395549091787778
Energy: 0.9042294012518552
Energy: 0.9395549091793183
Energy: 0.9042294012518552
Energy: 0.9395549091787778
Energy: 0.8705006327921103
Energy: 0.945600346553905
Energy: 0.8705006327915699
Energy: 0.9456003465533648
Energy: 0.8705006327915699
Energy: 0.9456003465533648
Energy: 0.949868774031069
Energy: 0.877667537944651
Energy: 0.949868774031069
Energy: 0.877667537944651
Energy: 0.949868774031069
Energy: 0.877667537944651
Energy: 0.9095632476465391
Energy: 0.9599045398012733
Energy: 0.9095632476465391
Energy: 0.9599045398012733
Energy: 0.9095632476465391
Energy: 0.9599045398012733
Energy: 0.8680377687777378
Energy: 1.032615286753024
Energy: 0.8680377687777378
Energy: 1.032615286753024
Energy: 0.8680377687777378
Energy: 1.032615286753024
Energy: 0.9737138148188955
Energy: 0.9049045126360609
Energy: 0.9737138148188955
Energy: 0.9049045126360609
Energy: 0.9737138148188955
Energy: 0.9049045126360609
Energy: 0.9328435608276318
Energy: 0.8765789327980426
Energy: 0.9328435608276318
Energy: 0.8765789327980426
Energy: 0.9328435608276318
Energy: 0.8765789327980426
Energy: 0.9136425965497679
Energy: 0.9599315276144711
Energy: 0.9136425965497679
Energy: 0.9599315276144711
Energy: 0.9136425965497679
Energy: 0.9599315276139306
Energy: 0.9606321460643776
Energy: 0.9119790387238756
Energy: 0.9606321460643776
Energy: 0.9119790387238756
Energy: 0.9606321460643776
Energy: 0.9119790387238756
Energy: 0.9427874664488763
Energy: 0.8904937070171457
Energy: 0.9427874664488763
Energy: 0.8904937070171457
Energy: 0.9427874664488763
Energy: 0.8904937070171457
Energy: 0.8650295867311981
Energy: 0.9505473439171485
Energy: 0.8650295867317386
Energy: 0.9505473439171485
Energy: 0.8650295867311981
Energy: 0.9505473439171485
Energy: 0.8642464948880935
Energy: 0.9568583201406422
Energy: 0.8642464948880935
Energy: 0.9568583201406422
Energy: 0.8642464948880935
Energy: 0.9568583201406422
Energy: 0.9498555077656657
Energy: 0.8777142542664489
Energy: 0.9498555077656657
Energy: 0.8777142542664489
Energy: 0.9498555077656657
Energy: 0.8777142542664489
Energy: 0.9030252686213044
Energy: 0.9420846694565661
Energy: 0.9030252686213044
Energy: 0.9420846694565661
Energy: 0.9030252686213044
Energy: 0.9420846694565661
Energy: 0.8687233078762528
Energy: 1.0333325387391614
Energy: 0.8687233078762528
Energy: 1.0333325387391614
Energy: 0.8687233078762528
Energy: 1.0333325387391614
Energy: 0.9676605792875845
Energy: 0.8757281149904368
Energy: 0.9676605792875845
Energy: 0.8757281149904368
Energy: 0.9676605792875845
Energy: 0.8757281149904368
Energy: 0.955666384347567
Energy: 0.875049909920385
Energy: 0.955666384347567
Energy: 0.875049909920385
Energy: 0.955666384347567
Energy: 0.875049909920385
Energy: 0.8697347474221557
Energy: 0.9567888496645804
Energy: 0.8697347474216152
Energy: 0.9567888496645804
Energy: 0.8697347474216152
Energy: 0.9567888496645804
Energy: 0.9721735563888431
Energy: 0.9136401788315697
Energy: 0.9721735563888431
Energy: 0.9136401788315697
Energy: 0.9721735563888431
Energy: 0.9136401788315697
Energy: 0.9343467933493363
Energy: 0.8904887875981652
Energy: 0.9343467933493363
Energy: 0.8904887875981652
Energy: 0.9343467933493363
Energy: 0.8904887875981652
Energy: 0.9092450348955239
Energy: 0.939355494501071
Energy: 0.9092450348955239
Energy: 0.9393554945005306
Energy: 0.9092450348955239
Energy: 0.9393554945005306
Energy: 0.9096110055735602
Energy: 0.948618978140392
Energy: 0.9096110055735602
Energy: 0.948618978140392
Energy: 0.9096110055735602
Energy: 0.948618978140392
Energy: 0.9567174364221337
Energy: 0.8880530039746922
Energy: 0.9567174364221337
Energy: 0.8880530039741517
Energy: 0.9567174364221337
Energy: 0.8880530039746922
Energy: 0.8645690808378491
Energy: 0.9507489864908066
Energy: 0.8645690808378491
Energy: 0.9507489864908066
Energy: 0.8645690808378491
Energy: 0.9507489864908066
Energy: 0.8651113749424175
Energy: 0.9183005500362823
Energy: 0.8651113749418772
Energy: 0.9183005500362823
Energy: 0.8651113749418772
Energy: 0.9183005500362823
Energy: 0.9563753589479105
Energy: 0.8760006061331738
Energy: 0.9563753589479105
Energy: 0.8760006061337141
Energy: 0.9563753589479105
Energy: 0.8760006061331738
Energy: 0.9675843207252581
Energy: 0.8744502464558827
Energy: 0.9675843207252581
Energy: 0.8744502464558827
Energy: 0.9675843207252581
Energy: 0.8744502464558827

minimum gb energy = 0.8642464948880935 eV
minimum distance =  2.33291924366429 Angstroms
sigma value = 33


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

Energy: 0.015555236975040057
Energy: 0.7017223402665581
Energy: 0.015555236975040057
Energy: 0.7017223402670071
Energy: 0.015555236975040057
Energy: 0.7017223402670071
Energy: 0.016203565939241212
Energy: 0.27144793224696245
Energy: 0.016203565938792203
Energy: 0.2714479322465134
Energy: 0.016203565938792203
Energy: 0.27144793224696245
Energy: 0.7019189565201422
Energy: 0.27144517605724017
Energy: 0.7018557225630769
Energy: 0.27144462317540463
Energy: 0.7018554713248006
Energy: 0.2714449898563904
Energy: 0.016203565939241212
Energy: 0.27144793224696245
Energy: 0.016203565938792203
Energy: 0.2714479322465134
Energy: 0.016203565938792203
Energy: 0.27144793224696245

minimum gb energy = 0.015555236975040057 eV
minimum distance =  2.52935272916621 Angstroms
sigma value = 1