Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
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=3.620000004768371
cohesive_energy=3.540278409563981
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: 0.0 eV

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

Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.013651480469992327
Energy: 0.6070457281860197
Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.6070457281857071
Energy: 0.3312201944940387
Energy: 0.6070457281857071
Energy: 0.33122019449466417
Energy: 0.6070457281857071
Energy: 0.3312201944940387
Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.013651480469992327
Energy: 0.6070457281860197
Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.6070457281857071
Energy: 0.3312201944940387
Energy: 0.6070457281857071
Energy: 0.33122019449435147
Energy: 0.6070457281857071
Energy: 0.9256535683237274
Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.013651480469992327
Energy: 0.6070457281857071
Energy: 0.6070457281857071
Energy: 0.3312201944937259
Energy: 0.6070457281857071
Energy: 0.9256535683237274
Energy: 0.6070457281860197
Energy: 0.8851554400242068

minimum gb energy = 0.013651480469992327 eV
minimum distance =  2.3086471584921 Angstroms
sigma value = 1


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

Energy: 0.9501977253880302
Energy: 0.8923097091815998
Energy: 0.9501977253880302
Energy: 0.8923097091815998
Energy: 0.9501977253887829
Energy: 0.8923097091815998
Energy: 0.9778636143209455
Energy: 0.8397226486493886
Energy: 0.9778636143209455
Energy: 0.8397226486493886
Energy: 0.9778636143209455
Energy: 0.8397226486493886
Energy: 0.9280031433669689
Energy: 0.9066822645807232
Energy: 0.9280031433677218
Energy: 0.9066822645814759
Energy: 0.9280031433677218
Energy: 0.9066822645807232
Energy: 0.8870571515820289
Energy: 0.8910899607338156
Energy: 0.8870571515820289
Energy: 0.8910899607338156
Energy: 0.8870571515820289
Energy: 0.8910899607338156
Energy: 0.8992027890137314
Energy: 0.9369797660827841
Energy: 0.8992027890137314
Energy: 0.9369797660827841
Energy: 0.8992027890137314
Energy: 0.9369797660827841
Energy: 0.9288315980533752
Energy: 0.8700729708365325
Energy: 0.9288315980533752
Energy: 0.8700729708357797
Energy: 0.9288315980526224
Energy: 0.8700729708365325
Energy: 0.86249597831533
Energy: 0.9163318945393948
Energy: 0.86249597831533
Energy: 0.9163318945378893
Energy: 0.8624959783160828
Energy: 0.9163318945393948
Energy: 0.8721596925697858
Energy: 0.9792693202737704
Energy: 0.8721596925705387
Energy: 0.9792693202737704
Energy: 0.8721596925705387
Energy: 0.9792693202745232
Energy: 0.9318661450886268
Energy: 0.9376216507542953
Energy: 0.9318661450893795
Energy: 0.9376216507542953
Energy: 0.9318661450893795
Energy: 0.9376216507542953
Energy: 0.8355079742462245
Energy: 0.9681556139118304
Energy: 0.8355079742462245
Energy: 0.9681556139110775
Energy: 0.8355079742462245
Energy: 0.9681556139110775
Energy: 0.9255227682628212
Energy: 0.8708506226959742
Energy: 0.9255227682628212
Energy: 0.8708506226952215
Energy: 0.9255227682628212
Energy: 0.8708506226959742
Energy: 0.8187971217273944
Energy: 0.9813273678994305
Energy: 0.8187971217266415
Energy: 0.9813273678994305
Energy: 0.8187971217273944
Energy: 0.9813273678986778
Energy: 0.9657285258202
Energy: 0.8117058108518379
Energy: 0.9657285258194471
Energy: 0.8117058108518379
Energy: 0.9657285258194471
Energy: 0.8117058108518379
Energy: 0.8835294147349189
Energy: 0.8786939545288006
Energy: 0.8835294147356717
Energy: 0.8786939545295533
Energy: 0.8835294147356717
Energy: 0.8786939545295533
Energy: 0.9907289566306122
Energy: 0.8408240542289429
Energy: 0.9907289566298595
Energy: 0.8408240542296956
Energy: 0.9907289566298595
Energy: 0.8408240542281902
Energy: 0.9958499958474993
Energy: 0.9313155626629681
Energy: 0.9958499958467466
Energy: 0.9313155626629681
Energy: 0.9958499958474993
Energy: 0.9313155626629681
Energy: 0.9099286478534631
Energy: 0.9181427651095975
Energy: 0.9099286478534631
Energy: 0.9181427651095975
Energy: 0.9099286478527102
Energy: 0.9181427651103503
Energy: 0.9100615642419186
Energy: 0.8721547390581125
Energy: 0.9100615642426714
Energy: 0.8721547390588654
Energy: 0.9100615642411657
Energy: 0.8721547390588654
Energy: 0.8288647715825121
Energy: 0.9131326489084803
Energy: 0.8288647715825121
Energy: 0.9131326489084803
Energy: 0.8288647715817592
Energy: 0.9131326489084803
Energy: 0.9142615813612217
Energy: 0.8700553293966992
Energy: 0.9142615813604688
Energy: 0.8700553293959463
Energy: 0.9142615813604688
Energy: 0.8700553293959463
Energy: 0.8469627153142912
Energy: 0.9707757522612883
Energy: 0.8469627153142912
Energy: 0.9707757522612883
Energy: 0.8469627153142912
Energy: 0.970775752262041
Energy: 0.9441979822817764
Energy: 0.935908933927631
Energy: 0.9441979822817764
Energy: 0.9359089339283839
Energy: 0.9441979822817764
Energy: 0.9359089339283839
Energy: 0.8352523687802633
Energy: 0.9764103813857742
Energy: 0.8352523687802633
Energy: 0.9764103813857742
Energy: 0.8352523687802633
Energy: 0.9764103813857742

minimum gb energy = 0.8117058108518379 eV
minimum distance =  2.28233876555273 Angstroms
sigma value = 33


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

Energy: 0.9669169869549303
Energy: 0.9516882134373682
Energy: 0.9377380866616722
Energy: 0.9516882134365119
Energy: 0.9669169869553584
Energy: 0.9516882134365119
Energy: 0.9346642172083659
Energy: 0.8660813221468842
Energy: 0.9346642172083659
Energy: 0.8660813221477406
Energy: 0.9346642172083659
Energy: 0.8660813221468842
Energy: 0.8286796774962824
Energy: 0.8664750909189821
Energy: 0.8286796774962824
Energy: 0.8664750909202669
Energy: 0.8286796774962824
Energy: 0.8664750909189821
Energy: 0.9542700525169785
Energy: 0.9280540415205869
Energy: 0.9542700525169785
Energy: 0.9280540415205869
Energy: 0.9542700525169785
Energy: 0.9280540415205869
Energy: 0.9010489090508458
Energy: 0.9070435405865456
Energy: 0.9010489090508458
Energy: 0.9070435405865456
Energy: 0.9010489090508458
Energy: 0.9070435405865456
Energy: 0.8851767336675401
Energy: 0.8261861604135066
Energy: 0.8851767336675401
Energy: 0.8261861604135066
Energy: 0.8851767336692529
Energy: 0.8261861604135066
Energy: 0.9552399016856635
Energy: 0.9304991364138946
Energy: 0.955239901684379
Energy: 0.9304991364134664
Energy: 0.9552399016860917
Energy: 0.9304991364134664
Energy: 0.8024434627446445
Energy: 0.9547901559099128
Energy: 0.8024434627446445
Energy: 0.9547901559090564
Energy: 0.8024434627442163
Energy: 0.9547901559094846
Energy: 0.8393914748553017
Energy: 0.8297144811555375
Energy: 0.8393914748548734
Energy: 0.8297144811555375
Energy: 0.8393914748548734
Energy: 0.8297144811555375
Energy: 0.8247403960211681
Energy: 0.9699332293940668
Energy: 0.824739591611833
Energy: 0.9699332293944948
Energy: 0.8247403960215961
Energy: 0.9699332293936386
Energy: 0.9808285168431056
Energy: 0.8200855271334725
Energy: 0.9808285168426774
Energy: 0.8200855271330443
Energy: 0.9808285168431056
Energy: 0.8200855271330443
Energy: 0.82810133565826
Energy: 0.8754713331580033
Energy: 0.8281016649868823
Energy: 0.8754713331580033
Energy: 0.82810133565826
Energy: 0.8754713331580033
Energy: 0.9284756596835946
Energy: 0.8322203074961323
Energy: 0.9284756596835946
Energy: 0.832220307495704
Energy: 0.9284756596831664
Energy: 0.832220307495704
Energy: 0.934550242803748
Energy: 0.9534853614469315
Energy: 0.934550242803748
Energy: 0.9534853614465033
Energy: 0.934550242803748
Energy: 0.9534853614465033
Energy: 0.9103642835220059
Energy: 0.8693711235787437
Energy: 0.9103642835228624
Energy: 0.8693711235787437
Energy: 0.9103642835220059
Energy: 0.8693711235787437
Energy: 0.826398260734816
Energy: 0.8711143350413997
Energy: 0.826398260734816
Energy: 0.8711143350413997
Energy: 0.826398260734816
Energy: 0.8711143350409717
Energy: 0.9558698850649878
Energy: 0.9136931826334387
Energy: 0.9558698850649878
Energy: 0.9136931826334387
Energy: 0.9558698850649878
Energy: 0.9136931826334387
Energy: 0.9035301969338124
Energy: 0.8261681579007241
Energy: 0.9035301969338124
Energy: 0.8261681579002959
Energy: 0.9035301969342406
Energy: 0.8261681579007241
Energy: 0.885238266441584
Energy: 0.888450658019391
Energy: 0.8852382664424403
Energy: 0.888450658019391
Energy: 0.885238266442012
Energy: 0.8884506580176782
Energy: 0.9518423856747152
Energy: 0.9406369509609106
Energy: 0.9518423856751433
Energy: 0.9406369509609106
Energy: 0.9518423856751433
Energy: 0.9406369509604824
Energy: 0.8006515885154804
Energy: 0.9552246639099102
Energy: 0.8006515885163368
Energy: 0.9552246639099102
Energy: 0.8006515885159086
Energy: 0.955224663909482
Energy: 0.8670457802741469
Energy: 0.8291522519034463
Energy: 0.8670457802758597
Energy: 0.829152251903018
Energy: 0.8670457802750035
Energy: 0.8291522519025898
Energy: 0.8201231746137756
Energy: 0.9319601167519261
Energy: 0.8201333171938769
Energy: 0.9319601167519261
Energy: 0.8201231746137756
Energy: 0.9319601167527825
Energy: 0.9434029664005067
Energy: 0.9010222392521653
Energy: 0.9434029663662511
Energy: 0.9010222392521653
Energy: 0.9434029664172063
Energy: 0.9010222392521653
Energy: 0.8290062208941226
Energy: 0.885837137747326
Energy: 0.8288702931620172
Energy: 0.885837137747326
Energy: 0.8290062208941226
Energy: 0.8858371377494667
Energy: 0.9555852697528393
Energy: 0.9645858140160086
Energy: 0.9292040051749663
Energy: 0.9645858140160086
Energy: 0.9555852697528393
Energy: 0.9645858140160086
Energy: 0.9555117441555857
Energy: 0.9484128112133443
Energy: 0.9293041780226784
Energy: 0.9484128112129161
Energy: 0.9555117441560137
Energy: 0.9484128112133443
Energy: 0.8293742444175116
Energy: 0.8674270092233327
Energy: 0.8293742444170835
Energy: 0.8674270092250456
Energy: 0.8293742444175116
Energy: 0.8674270092246172
Energy: 0.9133908205546403
Energy: 0.8672920079359637
Energy: 0.9133908205542121
Energy: 0.8672920079363917
Energy: 0.9133908205537838
Energy: 0.8672920079363917
Energy: 0.8203094188848356
Energy: 1.0108548323845687
Energy: 0.8203094188848356
Energy: 1.0108548323845687
Energy: 0.8203094188848356
Energy: 1.010854832384997
Energy: 0.9035498107840656
Energy: 0.8288112815892497
Energy: 0.9035498107836374
Energy: 0.8288112815896779
Energy: 0.9035498107836374
Energy: 0.8288112815896779
Energy: 0.8323373165595132
Energy: 0.9292391156893195
Energy: 0.8323373165590849
Energy: 0.9292391156893195
Energy: 0.8323373165595132
Energy: 0.9292391156897477
Energy: 0.9538418317123283
Energy: 0.9406398527889229
Energy: 0.9538418317119001
Energy: 0.9406398527889229
Energy: 0.9538418317123283
Energy: 0.9406398527889229
Energy: 0.8670552865919319
Energy: 0.9088390172878169
Energy: 0.8670552865919319
Energy: 0.9088390172878169
Energy: 0.8670552865919319
Energy: 0.9088390172882451
Energy: 0.8666387968065238
Energy: 0.826234700522718
Energy: 0.8666387968065238
Energy: 0.8262347005222896
Energy: 0.8666387968065238
Energy: 0.826234700522718
Energy: 0.9106760659776815
Energy: 0.9588148426594636
Energy: 0.9106760659776815
Energy: 0.9588148426590354
Energy: 0.9106760659768252
Energy: 0.9588148426586071
Energy: 0.8263078603839232
Energy: 0.9030359209636217
Energy: 0.8263090427522206
Energy: 0.9030359209636217
Energy: 0.8263078603839232
Energy: 0.9030359209636217
Energy: 0.887578407777225
Energy: 0.88861727184829
Energy: 0.887578407777225
Energy: 0.8886172718474336
Energy: 0.887578407777225
Energy: 0.8886172718478618
Energy: 0.9341281126167736
Energy: 0.9548609186520168
Energy: 0.9341281126167736
Energy: 0.9548609186515887
Energy: 0.9341281126172017
Energy: 0.9548609186520168
Energy: 0.9545907926842256
Energy: 0.8001954191895837
Energy: 0.9545907926842256
Energy: 0.8001954191895837
Energy: 0.9545907926846539
Energy: 0.8001954191891556
Energy: 0.8280230605177175
Energy: 0.8390980601877579
Energy: 0.8280230605172892
Energy: 0.8390980601881861
Energy: 0.8280230605177175
Energy: 0.8390980601877579

minimum gb energy = 0.8001954191891556 eV
minimum distance =  2.38188353867553 Angstroms
sigma value = 51


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

Energy: 0.9371974974829348
Energy: 0.9419094467129886
Energy: 0.9371974974829348
Energy: 0.9419094467119966
Energy: 0.9371974974829348
Energy: 0.9419094467119966
Energy: 0.9718358951700314
Energy: 0.8863143762975011
Energy: 0.9718358951700314
Energy: 0.8863143762975011
Energy: 0.9718358951700314
Energy: 0.8863143762975011
Energy: 0.9079620906591133
Energy: 0.9166576575847339
Energy: 0.9079620906591133
Energy: 0.9166576575837417
Energy: 0.9079620906591133
Energy: 0.9166576575837417
Energy: 0.9128354918401813
Energy: 0.8631776041523779
Energy: 0.9128354918401813
Energy: 0.8631776041523779
Energy: 0.9128354918391892
Energy: 0.8631776041523779
Energy: 0.9004474331515813
Energy: 0.9205881046558749
Energy: 0.9004474331525735
Energy: 0.9205881046548828
Energy: 0.9004474331525735
Energy: 0.9205881046558749
Energy: 0.9191448067407573
Energy: 0.9181837377894948
Energy: 0.9191448067407573
Energy: 0.9181837377894948
Energy: 0.9191448067407573
Energy: 0.9181837377894948
Energy: 0.8820447327044011
Energy: 0.9204578660664527
Energy: 0.882044732703409
Energy: 0.9204578660664527
Energy: 0.8820447327044011
Energy: 0.9204578660664527
Energy: 0.8626279406780907
Energy: 0.9199226107240112
Energy: 0.8626279406780907
Energy: 0.919922610723019
Energy: 0.8626279406780907
Energy: 0.9199226107240112
Energy: 0.9644728808712254
Energy: 0.8605762805920023
Energy: 0.9644728808722174
Energy: 0.8605762805920023
Energy: 0.9644728808722174
Energy: 0.8605762805920023
Energy: 0.8637899739233402
Energy: 0.9195664454911086
Energy: 0.8637899739233402
Energy: 0.9195664454911086
Energy: 0.8637899739233402
Energy: 0.9195664454921008
Energy: 0.9971070850527002
Energy: 0.8261894217570872
Energy: 0.997107085051708
Energy: 0.8261894217570872
Energy: 0.997107085051708
Energy: 0.8261894217570872
Energy: 0.9344782047275099
Energy: 0.9386640010348967
Energy: 0.9344782047265178
Energy: 0.9386640010348967
Energy: 0.9344782047275099
Energy: 0.9386640010358889
Energy: 1.0333789309049661
Energy: 0.8860420247427989
Energy: 1.0333789309049661
Energy: 0.8860420247427989
Energy: 1.0333789309049661
Energy: 0.8860420247427989
Energy: 0.9096022873798271
Energy: 0.8746436775920042
Energy: 0.9096022873798271
Energy: 0.8746436775920042
Energy: 0.9096022873798271
Energy: 0.8746436775920042
Energy: 0.910058594348118
Energy: 0.9197677316209691
Energy: 0.910058594348118
Energy: 0.9197677316209691
Energy: 0.910058594348118
Energy: 0.9197677316209691
Energy: 0.9201694392763767
Energy: 0.9206926480592266
Energy: 0.9201694392763767
Energy: 0.9206926480592266
Energy: 0.9201694392763767
Energy: 0.9206926480592266
Energy: 0.9194544261192976
Energy: 0.9447818847021527
Energy: 0.9194544261192976
Energy: 0.9447818847021527
Energy: 0.9194544261192976
Energy: 0.9447818847021527
Energy: 0.9061490578182283
Energy: 0.9120741278769252
Energy: 0.9061490578182283
Energy: 0.9120741278779173
Energy: 0.9061490578172363
Energy: 0.9120741278769252

minimum gb energy = 0.8261894217570872 eV
minimum distance =  2.26504918976273 Angstroms
sigma value = 19


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

Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.8200950238903835
Energy: 0.8601124288376583
Energy: 0.8200950238897948
Energy: 0.860112428838247
Energy: 0.8200950238897948
Energy: 0.860112428838247
Energy: 0.7674133995253962
Energy: 0.8598301273746156
Energy: 0.7674133995253962
Energy: 0.8598301273763813
Energy: 0.7674133995253962
Energy: 0.8598301273757928
Energy: 0.8394295574785972
Energy: 0.7671587989249469
Energy: 0.8394295574774201
Energy: 0.7671587989249469
Energy: 0.8394295574774201
Energy: 0.7671587989243585
Energy: 0.7851007709889564
Energy: 0.7964942666547681
Energy: 0.7851007709883678
Energy: 0.7964942666553565
Energy: 0.7851007709883678
Energy: 0.7964942666547681
Energy: 0.7852230625825674
Energy: 0.7961683636429784
Energy: 0.7852230625825674
Energy: 0.7961683636429784
Energy: 0.785223062581979
Energy: 0.7961683636435668
Energy: 0.8394279543105947
Energy: 0.7671491350650491
Energy: 0.8394279543100062
Energy: 0.7671491350644605
Energy: 0.8394279543105947
Energy: 0.7671491350644605
Energy: 0.767403088979577
Energy: 0.8597840593101749
Energy: 0.767403088979577
Energy: 0.8597840593113518
Energy: 0.767403088979577
Energy: 0.8597840593113518
Energy: 0.8212428020679684
Energy: 0.86012678341772
Energy: 0.8212428020673798
Energy: 0.8601267834183085
Energy: 0.8212428020679684
Energy: 0.8601267834183085
Energy: 0.7987548698629802
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563335325
Energy: 0.7987548698629802
Energy: 0.8070442563323554
Energy: 0.8200950238903835
Energy: 0.860112428839424
Energy: 0.8200950238897948
Energy: 0.860112428838247
Energy: 0.8200950238897948
Energy: 0.8601124288376583
Energy: 0.7674133995253962
Energy: 0.8598301273746156
Energy: 0.7674133995253962
Energy: 0.8598301273752043
Energy: 0.7674133995253962
Energy: 0.8598301273757928
Energy: 0.8394295574774201
Energy: 0.7671587989249469
Energy: 0.8394295574774201
Energy: 0.7671587989243585
Energy: 0.8394295574780086
Energy: 0.7671587989249469
Energy: 0.7851007709889564
Energy: 0.7964942666547681
Energy: 0.7851007709889564
Energy: 0.7964942666547681
Energy: 0.7851007709883678
Energy: 0.7964942666553565
Energy: 0.7852230625825674
Energy: 0.7961683636435668
Energy: 0.7852230625825674
Energy: 0.7961683636435668
Energy: 0.7852230625825674
Energy: 0.7961683636435668
Energy: 0.8394279543105947
Energy: 0.7671491350644605
Energy: 0.8394279543100062
Energy: 0.7671491350644605
Energy: 0.8394279543105947
Energy: 0.7671491350644605
Energy: 0.767403088979577
Energy: 0.8597840593113518
Energy: 0.767403088979577
Energy: 0.8597840593101749
Energy: 0.7674030889789883
Energy: 0.8597840593107634
Energy: 0.8212428020667915
Energy: 0.8601267834183085
Energy: 0.8212428020673798
Energy: 0.8601267834183085
Energy: 0.8212428020679684
Energy: 0.8601267834183085
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.8200950238903835
Energy: 0.860112428838247
Energy: 0.8200950238892064
Energy: 0.8601124288376583
Energy: 0.8200950238897948
Energy: 0.8601124288376583
Energy: 0.7674133995253962
Energy: 0.8598301273746156
Energy: 0.7674133995253962
Energy: 0.8598301273752043
Energy: 0.7674133995248077
Energy: 0.8598301273746156
Energy: 0.8394295574780086
Energy: 0.7671587989243585
Energy: 0.8394295574774201
Energy: 0.7671587989243585
Energy: 0.8394295574774201
Energy: 0.7671587989243585
Energy: 0.7851007709889564
Energy: 0.7964942666541796
Energy: 0.7851007709889564
Energy: 0.7964942666541796
Energy: 0.7851007709889564
Energy: 0.7964942666547681
Energy: 0.7852230625825674
Energy: 0.7961683636435668
Energy: 0.7852230625825674
Energy: 0.7961683636429784
Energy: 0.7852230625825674
Energy: 0.7961683636429784
Energy: 0.8394279543105947
Energy: 0.7671491350650491
Energy: 0.8394279543105947
Energy: 0.767149135063872
Energy: 0.8394279543105947
Energy: 0.7671491350644605
Energy: 0.767403088979577
Energy: 0.8597840593119405
Energy: 0.7674030889789883
Energy: 0.8597840593095865
Energy: 0.767403088979577
Energy: 0.8597840593107634
Energy: 0.8212428020679684
Energy: 0.86012678341772
Energy: 0.8212428020679684
Energy: 0.8601267834183085
Energy: 0.8212428020673798
Energy: 0.8601267834183085
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.7987548698623917
Energy: 0.8070442563329439
Energy: 0.8200950238903835
Energy: 0.8601124288388354
Energy: 0.8200950238903835
Energy: 0.8601124288388354
Energy: 0.8200950238903835
Energy: 0.860112428838247
Energy: 0.7674133995253962
Energy: 0.8598301273746156
Energy: 0.7674133995253962
Energy: 0.8598301273734389
Energy: 0.7674133995253962
Energy: 0.8598301273740273

minimum gb energy = 0.767149135063872 eV
minimum distance =  2.37045614365558 Angstroms
sigma value = 27


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

Energy: 0.7601444525642677
Energy: 0.736241471542421
Energy: 0.7601444525642677
Energy: 0.736241471542421
Energy: 0.7601444525642677
Energy: 0.7362414715438627
Energy: 1.0101934916005855
Energy: 0.6963254471232585
Energy: 1.010193491599144
Energy: 0.6963254471232585
Energy: 1.010193491599144
Energy: 0.6963254471232585
Energy: 0.7588357953915595
Energy: 0.8246070115421039
Energy: 0.758835795390118
Energy: 0.8246070115421039
Energy: 0.7588357953915595
Energy: 0.8246070115406624
Energy: 0.9765006599049634
Energy: 0.7167690721526315
Energy: 0.9765006599049634
Energy: 0.7167690721526315
Energy: 0.9765006599049634
Energy: 0.7167690721526315
Energy: 0.800158075482371
Energy: 0.7165416864414501
Energy: 0.800158075482371
Energy: 0.7165416864414501
Energy: 0.800158075482371
Energy: 0.7165416864414501
Energy: 0.8366807599129747
Energy: 0.8804933009198387
Energy: 0.8366807599129747
Energy: 0.8804933009183972
Energy: 0.8366807599129747
Energy: 0.8804933009198387
Energy: 0.8037728178872626
Energy: 0.7627403350845238
Energy: 0.8037728178872626
Energy: 0.7627403350845238
Energy: 0.8037728178872626
Energy: 0.7627403350845238
Energy: 0.7541868952216045
Energy: 0.7395799767547276
Energy: 0.7541868952230462
Energy: 0.7395799767561692
Energy: 0.7541868952230462
Energy: 0.7395799767547276
Energy: 0.8359234706377511
Energy: 0.7592884812577771
Energy: 0.8359234706377511
Energy: 0.7592884812548941
Energy: 0.8359234706377511
Energy: 0.7592884812592188
Energy: 0.7935047694225319
Energy: 0.8510211788606055
Energy: 0.7935047694210904
Energy: 0.8510211788606055
Energy: 0.7935047694210904
Energy: 0.8510211788606055
Energy: 0.7631600046324402
Energy: 0.7176015088478486
Energy: 0.7631600046324402
Energy: 0.7176015088478486
Energy: 0.7631600046338817
Energy: 0.7176015088478486
Energy: 0.8603741675082547
Energy: 0.8164368094229937
Energy: 0.8603741675082547
Energy: 0.8164368094229937
Energy: 0.860374167506846
Energy: 0.8164368094229937

minimum gb energy = 0.6963254471232585 eV
minimum distance =  2.26468147936891 Angstroms
sigma value = 9


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

Energy: 0.7183182026307519
Energy: 0.8590997183430018
Energy: 0.7183182026307519
Energy: 0.8590997183434069
Energy: 0.7183182026303468
Energy: 0.8590997183434069
Energy: 0.7723038015127224
Energy: 0.5993034157347141
Energy: 0.772303801508267
Energy: 0.5993034157347141
Energy: 0.7723038015102922
Energy: 0.6420512333790036
Energy: 0.6407421124168539
Energy: 0.8049275144379067
Energy: 0.640742112417259
Energy: 0.8049275144387168
Energy: 0.6407421124168539
Energy: 0.8049275144379067
Energy: 0.6473162555673715
Energy: 0.6314439744468758
Energy: 0.6473162555673715
Energy: 0.631443974447686
Energy: 0.6473162555673715
Energy: 0.631443974447686
Energy: 0.6768782500789259
Energy: 0.7572233583343225
Energy: 0.6768782500789259
Energy: 0.7572233583343225
Energy: 0.676878250078521
Energy: 0.7572233583343225
Energy: 0.7220609300404903
Energy: 0.7079306811169714
Energy: 0.7220609300396803
Energy: 0.7079306811169714
Energy: 0.7220609300392752
Energy: 0.7079306811169714
Energy: 0.6641757810616651
Energy: 0.6844598060305682
Energy: 0.6641757810620701
Energy: 0.6844598060309732
Energy: 0.6641757810620701
Energy: 0.6844598060305682
Energy: 0.6185027152210055
Energy: 0.7746524791452785
Energy: 0.6185027152210055
Energy: 0.7746524791448735
Energy: 0.6185027152210055
Energy: 0.7746524791448735
Energy: 0.7011953873635046
Energy: 0.7591391472506295
Energy: 0.7011953873529737
Energy: 0.7591391472510345
Energy: 0.7011953873533788
Energy: 0.7591391472510345
Energy: 0.6985602585752794
Energy: 0.8212911623764483
Energy: 0.6985602585736592
Energy: 0.8212911623784734
Energy: 0.6985602585740642
Energy: 0.8212911623821189
Energy: 0.6486953908475391
Energy: 0.6379588041117965
Energy: 0.6486953908483492
Energy: 0.6379588041122014
Energy: 0.6486953908479441
Energy: 0.6379588041122014
Energy: 0.6562525389202936
Energy: 0.680079879297383
Energy: 0.6562525389166483
Energy: 0.6800798792941427
Energy: 0.6562525389174583
Energy: 0.6800798792925226
Energy: 0.6849996530196445
Energy: 0.6727272515994271
Energy: 0.6849996530224798
Energy: 0.672727251597807
Energy: 0.6849996530216697
Energy: 0.672727251597402
Energy: 0.7141098976708882
Energy: 0.7120856564472874
Energy: 0.7141098976708882
Energy: 0.7120856564485025
Energy: 0.7141098976708882
Energy: 0.7120856564460722
Energy: 0.6436656926562531
Energy: 0.7722111849481096
Energy: 0.6436656926562531
Energy: 0.7722111849481096
Energy: 0.6436656926562531
Energy: 0.7722111849477045
Energy: 0.581249730456345
Energy: 0.7026782000418745
Energy: 0.5812497304567501
Energy: 0.7026782000430896
Energy: 0.5812497304551298
Energy: 0.7026782000451148
Energy: 0.776757748093272
Energy: 0.6313113630169205
Energy: 0.776757748092867
Energy: 0.6313113630177305
Energy: 0.776757748092867
Energy: 0.6313113630173255
Energy: 0.6496885181711499
Energy: 0.6612218357236117
Energy: 0.6496885181711499
Energy: 0.6612218357223967
Energy: 0.6496885181707449
Energy: 0.6612218357236117
Energy: 0.6150159121967512
Energy: 0.9643073988430655
Energy: 0.6150159121975612
Energy: 0.9643073988434704
Energy: 0.6150159121979664
Energy: 0.9643073988430655
Energy: 0.7278779438698441
Energy: 0.6449233785209398
Energy: 0.7278779438670089
Energy: 0.6449233785205348
Energy: 0.7278779438645787
Energy: 0.6449233785209398
Energy: 0.6149741729676078
Energy: 0.7785805018569139
Energy: 0.6149741729663928
Energy: 0.7785805018569139
Energy: 0.6149741729672028
Energy: 0.778580501857724
Energy: 0.6496374007505687
Energy: 0.6610912550160304
Energy: 0.6496374007509739
Energy: 0.6610912550160304
Energy: 0.6496374007513788
Energy: 0.6610912550160304
Energy: 0.7764162746973604
Energy: 0.631338543892543
Energy: 0.7764162746969554
Energy: 0.6313385438888979
Energy: 0.7764162746969554
Energy: 0.6313385438888979
Energy: 0.5810404890663037
Energy: 0.7032564881511997
Energy: 0.5810404890654938
Energy: 0.7032564881520098
Energy: 0.5810404890658987
Energy: 0.7032564881507946
Energy: 0.643761435754786
Energy: 0.7722490708894397
Energy: 0.6437614357555961
Energy: 0.7722490708890346
Energy: 0.6437614357555961
Energy: 0.7722490708894397
Energy: 0.7140569568848555
Energy: 0.6666761441432835
Energy: 0.7140569568856656
Energy: 0.6666761441436885
Energy: 0.7140569568848555
Energy: 0.6666761441416632
Energy: 0.6849976194977243
Energy: 0.672486663996255
Energy: 0.6849976194973193
Energy: 0.6724866639954449
Energy: 0.6849976194989394
Energy: 0.6724866639954449
Energy: 0.655912653180285
Energy: 0.6803303009218401
Energy: 0.65591265318069
Energy: 0.6803303009226501
Energy: 0.65591265318069
Energy: 0.6803303009222451
Energy: 0.6486967610495076
Energy: 0.6377518899438631
Energy: 0.6486967610495076
Energy: 0.6377518899430531
Energy: 0.6486967610491026
Energy: 0.6377518899430531
Energy: 0.6986883829132376
Energy: 0.6448779561600563
Energy: 0.6986883829140477
Energy: 0.6448779561572211
Energy: 0.6986883829140477
Energy: 0.644877956158031
Energy: 0.7012286807249132
Energy: 0.7590292485158077
Energy: 0.7012286807249132
Energy: 0.7590292485149975
Energy: 0.7012286807249132
Energy: 0.7590292485158077
Energy: 0.6183284598362434
Energy: 0.7743417102273037
Energy: 0.6183284598366484
Energy: 0.7743417102273037
Energy: 0.6183284598362434
Energy: 0.7743417102277088
Energy: 0.6641887161861102
Energy: 0.6842920440021945
Energy: 0.6641887161865152
Energy: 0.6842920439981443
Energy: 0.6641887161869202
Energy: 0.6842920440021945
Energy: 0.721957182815612
Energy: 0.7079641393181101
Energy: 0.7219571828135869
Energy: 0.7079641393181101
Energy: 0.721957182815612
Energy: 0.7079641393181101
Energy: 0.6770507472487048
Energy: 0.76003229356754
Energy: 0.6770507472495149
Energy: 0.76003229356754
Energy: 0.6770507472491099
Energy: 0.760032293567135
Energy: 0.6473403567658189
Energy: 0.6314863740081216
Energy: 0.6473403567658189
Energy: 0.6314863740073116
Energy: 0.6473403567658189
Energy: 0.6314863740105519
Energy: 0.6406715454473185
Energy: 0.8050010638678196
Energy: 0.6406715454477236
Energy: 0.8050010638686297
Energy: 0.6406715454481287
Energy: 0.8050010638625542
Energy: 0.7724488835256951
Energy: 0.5992608804300769
Energy: 0.7724488835280884
Energy: 0.5992608804304819
Energy: 0.7724488835232648
Energy: 0.5992608804300769
Energy: 0.7183182026303468
Energy: 0.8590997183425969
Energy: 0.7183182026303468
Energy: 0.8590997183430018
Energy: 0.7183182026303468
Energy: 0.8590997183434069
Energy: 0.772303801508267
Energy: 0.6663512836376163
Energy: 0.7723038015086721
Energy: 0.6663512836380213
Energy: 0.7723038015094822
Energy: 0.7354505320880356
Energy: 0.6407421124168539
Energy: 0.8049275144383118
Energy: 0.640742112417664
Energy: 0.8049275144383118
Energy: 0.6407421124168539
Energy: 0.8049275144387168
Energy: 0.6473162555669665
Energy: 0.631443974448496
Energy: 0.6473162555665614
Energy: 0.631443974447686
Energy: 0.6473162555669665
Energy: 0.631443974448091
Energy: 0.676878250078116
Energy: 0.7572233583359427
Energy: 0.676878250077711
Energy: 0.7572233583359427
Energy: 0.676878250077711
Energy: 0.7572233583363477

minimum gb energy = 0.5810404890654938 eV
minimum distance =  2.3540656478056 Angstroms
sigma value = 57


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

Energy: 0.27989560187442575
Energy: 0.2875188695577781
Energy: 0.27989560187442575
Energy: 0.2875188695577781
Energy: 0.27989560187442575
Energy: 0.2875188695577781
Energy: 0.3646145912634999
Energy: 0.2805874075561653
Energy: 0.3646145912634999
Energy: 0.2805874075561653
Energy: 0.3646145912634999
Energy: 0.2805874075561653
Energy: 0.3191021853603196
Energy: 0.3539960963617622
Energy: 0.31910218536124163
Energy: 0.35399609636084023
Energy: 0.31910218536124163
Energy: 0.3539960963617622
Energy: 0.28948048096835555
Energy: 0.2798339605155747
Energy: 0.28948048097019957
Energy: 0.2798339605164966
Energy: 0.28948048096835555
Energy: 0.2798339605164966
Energy: 0.36446813033386044
Energy: 0.36890360197321437
Energy: 0.36446813033386044
Energy: 0.36890360197413635
Energy: 0.36446813033386044
Energy: 0.36890360197321437
Energy: 0.28000815969999643
Energy: 0.31860258743514697
Energy: 0.28000815969999643
Energy: 0.31860258743514697
Energy: 0.28000815969999643
Energy: 0.31860258743514697
Energy: 0.2800143454629138
Energy: 0.31856657995827287
Energy: 0.2800143454638358
Energy: 0.31856657995735094
Energy: 0.2800143454638358
Energy: 0.31856657995827287
Energy: 0.36447089402700417
Energy: 0.36883202948413774
Energy: 0.36447089402700417
Energy: 0.3688320294850597
Energy: 0.36447089402700417
Energy: 0.36883202948413774
Energy: 0.2894726896829385
Energy: 0.2798019743669569
Energy: 0.2894726896829385
Energy: 0.279801974366035
Energy: 0.2894726896829385
Energy: 0.2798019743669569
Energy: 0.3191925093771675
Energy: 0.9272571765130514
Energy: 0.3191925093771675
Energy: 0.9272571765130514
Energy: 0.3191925093771675
Energy: 0.9272571765130514
Energy: 0.36466992098491774
Energy: 0.280378180457697
Energy: 0.36466992098491774
Energy: 0.280378180456775
Energy: 0.3646699209839957
Energy: 0.280378180456775
Energy: 0.27989560187442575
Energy: 0.2875188695568561
Energy: 0.27989560187442575
Energy: 0.2875188695568561
Energy: 0.27989560187442575
Energy: 0.2875188695577781
Energy: 0.3646145912634999
Energy: 0.2805874075580093
Energy: 0.3646145912634999
Energy: 0.2805874075580093
Energy: 0.3646145912634999
Energy: 0.2805874075580093
Energy: 0.31910218536124163
Energy: 0.35399609636084023
Energy: 0.3191021853603196
Energy: 0.35399609635991824
Energy: 0.3191021853603196
Energy: 0.3539960963589962
Energy: 0.28948048096927753
Energy: 0.27983396051741866
Energy: 0.28948048096835555
Energy: 0.27983396051834064
Energy: 0.28948048096835555
Energy: 0.2798339605155747
Energy: 0.36446813033386044
Energy: 0.36890360197321437
Energy: 0.36446813033386044
Energy: 0.36890360197321437
Energy: 0.36446813033386044
Energy: 0.36890360197321437
Energy: 0.28000815969999643
Energy: 0.31860258743514697
Energy: 0.28000815969999643
Energy: 0.31860258743514697
Energy: 0.28000815969999643
Energy: 0.31860258743514697
Energy: 0.2800143454638358
Energy: 0.31856657995827287
Energy: 0.2800143454638358
Energy: 0.31856657995827287
Energy: 0.2800143454638358
Energy: 0.31856657995827287
Energy: 0.36447089402700417
Energy: 0.3688320294850597
Energy: 0.36447089402700417
Energy: 0.3688320294850597
Energy: 0.36447089402700417
Energy: 0.3688320294850597

minimum gb energy = 0.279801974366035 eV
minimum distance =  2.43688998409388 Angstroms
sigma value = 11


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

Energy: 0.6072360274618799
Energy: 0.7341840357354229
Energy: 0.6072360274632306
Energy: 0.7341840357347476
Energy: 0.6072360274625552
Energy: 0.7341840357347476
Energy: 0.7394321185364018
Energy: 0.6307147679285007
Energy: 0.7394321185364018
Energy: 0.6307147679285007
Energy: 0.7394321185364018
Energy: 0.6307147679285007
Energy: 0.5845654877180028
Energy: 0.7988373516150902
Energy: 0.5845654877180028
Energy: 0.798837351613064
Energy: 0.5845654877193535
Energy: 0.7988373516144149
Energy: 0.6490205749231842
Energy: 0.5556258249490856
Energy: 0.6490205749238596
Energy: 0.5556258249490856
Energy: 0.6490205749218335
Energy: 0.5556258249497611
Energy: 0.7187074919911138
Energy: 0.5180185648762489
Energy: 0.7187074919911138
Energy: 0.5180185648755735
Energy: 0.7187074919911138
Energy: 0.5180185648762489
Energy: 0.6655573186984304
Energy: 0.5441025384494834
Energy: 0.6655573186977549
Energy: 0.544102538448808
Energy: 0.6655573186984304
Energy: 0.5441025384481325
Energy: 0.5428024406824438
Energy: 0.5855914420677318
Energy: 0.5428024406824438
Energy: 0.5855914420677318
Energy: 0.5428024406824438
Energy: 0.5855914420684072
Energy: 0.6462745823465906
Energy: 0.49909382933547725
Energy: 0.6462745823465906
Energy: 0.4990938293348019
Energy: 0.6462745823479414
Energy: 0.4990938293348019
Energy: 0.7326470799248184
Energy: 0.5010935761057912
Energy: 0.732647079924143
Energy: 0.5010935761057912
Energy: 0.732647079924143
Energy: 0.5010935761057912
Energy: 0.5117068645282603
Energy: 0.5834250496228357
Energy: 0.511706864527585
Energy: 0.5834250496208095
Energy: 0.511706864527585
Energy: 0.5834250496187835
Energy: 0.6898138067048585
Energy: 0.6810589025623178
Energy: 0.6898138067129631
Energy: 0.6810589025636685
Energy: 0.68981380669878
Energy: 0.6810589025636685
Energy: 0.7199362826441038
Energy: 0.5196071609894313
Energy: 0.7199362826441038
Energy: 0.5196071609880805
Energy: 0.7199362826434285
Energy: 0.5196071609894313
Energy: 0.745756190014531
Energy: 0.5588963101019899
Energy: 0.7457561900152064
Energy: 0.5588963101019899
Energy: 0.7457561900152064
Energy: 0.5588963101019899
Energy: 0.6577418161709403
Energy: 0.7786813253884508
Energy: 0.657741816170265
Energy: 0.7786813253884508
Energy: 0.657741816170265
Energy: 0.7786813253884508
Energy: 0.7001215422234255
Energy: 0.6299276672121092
Energy: 0.7001215422180225
Energy: 0.6299276672114339
Energy: 0.7001215422315301
Energy: 0.6299276672127846
Energy: 0.6064048148182323
Energy: 0.7347721595195007
Energy: 0.6064048148182323
Energy: 0.7347721595195007
Energy: 0.6064048148182323
Energy: 0.7347721595195007
Energy: 0.6242867329042271
Energy: 0.5394522123941102
Energy: 0.6242867329042271
Energy: 0.5394522123947857
Energy: 0.6242867329035517
Energy: 0.5394522123947857
Energy: 0.8502983234161017
Energy: 0.7265249265103262
Energy: 0.8502983234154264
Energy: 0.7265249265096507
Energy: 0.8502983234161017
Energy: 0.7265249265103262
Energy: 0.6460445193678495
Energy: 0.5535620999306884
Energy: 0.6460445193678495
Energy: 0.5535620999306884
Energy: 0.6460445193671741
Energy: 0.5535620999306884
Energy: 0.7200237028391856
Energy: 0.6291616750117114
Energy: 0.7200237028391856
Energy: 0.6291616750117114
Energy: 0.720023702839861
Energy: 0.6291616750117114
Energy: 0.5108993759049983
Energy: 0.5454528211241981
Energy: 0.5108993759049983
Energy: 0.5454528211228474
Energy: 0.5108993759056738
Energy: 0.5454528211241981
Energy: 0.5612460602297167
Energy: 0.5844939700670063
Energy: 0.5612460602297167
Energy: 0.5844939700622787
Energy: 0.5612460602290413
Energy: 0.5844939700670063
Energy: 0.7364718838780447
Energy: 0.6474425366413271
Energy: 0.7364718838787201
Energy: 0.6474425366420026
Energy: 0.7364718838780447
Energy: 0.6474425366420026
Energy: 0.734138484583283
Energy: 0.6170393241899068
Energy: 0.734138484583283
Energy: 0.6170393241905823
Energy: 0.7341384845839584
Energy: 0.6170393241899068
Energy: 0.511201841116834
Energy: 0.5819513523571872
Energy: 0.5112018411175094
Energy: 0.5819513523592132
Energy: 0.5112018411175094
Energy: 0.5819513523477319
Energy: 0.7898396267888276
Energy: 0.6821777478704177
Energy: 0.7898396267888276
Energy: 0.6821777478697424
Energy: 0.7898396267888276
Energy: 0.6821777478704177

minimum gb energy = 0.4990938293348019 eV
minimum distance =  2.34689384939209 Angstroms
sigma value = 41


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

Energy: 0.6875816673066297
Energy: 0.5809294959974058
Energy: 0.6875816673066297
Energy: 0.5809294959968735
Energy: 0.6875816673066297
Energy: 0.5809294959974058
Energy: 0.7899210779382527
Energy: 0.7558909013539382
Energy: 0.7899210779377205
Energy: 0.7558909013539382
Energy: 0.7899210779382527
Energy: 0.7558909013539382
Energy: 0.6705754961341763
Energy: 0.7230291542785011
Energy: 0.6705754961347088
Energy: 0.7230291542785011
Energy: 0.6705754961347088
Energy: 0.7230291542790335
Energy: 0.7651910123233716
Energy: 0.5778153367556502
Energy: 0.7651910123228393
Energy: 0.5778153367556502
Energy: 0.7651910123228393
Energy: 0.5778153367556502
Energy: 0.5609072020516335
Energy: 0.6061076725081528
Energy: 0.5609072020521658
Energy: 0.6061076725081528
Energy: 0.5609072020516335
Energy: 0.6061076725081528
Energy: 0.7829191808420715
Energy: 0.7729889290139794
Energy: 0.7829191808426038
Energy: 0.7729889290145118
Energy: 0.7829191808420715
Energy: 0.7729889290145118
Energy: 0.5890700153784189
Energy: 0.8242902307097661
Energy: 0.5890700153784189
Energy: 0.8242902307076367
Energy: 0.5890700153789513
Energy: 0.8242902307071044
Energy: 0.5688603558749817
Energy: 0.5778452051731987
Energy: 0.5688603558765787
Energy: 0.5778452051737311
Energy: 0.5688603558755141
Energy: 0.5778452051731987
Energy: 0.5681549378521279
Energy: 0.5979996423699695
Energy: 0.5681549378521279
Energy: 0.5979996423699695
Energy: 0.5681549378515957
Energy: 0.5979996423699695
Energy: 0.6421847131858782
Energy: 0.6623705118306993
Energy: 0.6421847131864106
Energy: 0.662370511830167
Energy: 0.6421847131858782
Energy: 0.662370511830167
Energy: 0.6394250169751287
Energy: 0.6610940083766841
Energy: 0.6394250169751287
Energy: 0.6610940083772163
Energy: 0.6394250169751287
Energy: 0.6610940083766841
Energy: 0.5549445187318419
Energy: 0.754991250834941
Energy: 0.5549445187307772
Energy: 0.754991250834941
Energy: 0.5549445187307772
Energy: 0.754991250834941
Energy: 0.5635549513510366
Energy: 0.5763562109430087
Energy: 0.5635549513510366
Energy: 0.5763562109430087
Energy: 0.5635549513510366
Energy: 0.5763562109430087
Energy: 0.5422848599195014
Energy: 0.655052502936919
Energy: 0.5422848599195014
Energy: 0.655052502936919
Energy: 0.5422848599195014
Energy: 0.655052502936919
Energy: 0.7836884690442086
Energy: 0.7728756606870069
Energy: 0.7836884690442086
Energy: 0.7728756606870069
Energy: 0.7836884690442086
Energy: 0.7728756606870069
Energy: 0.5433328035431452
Energy: 0.9004535173114396
Energy: 0.5433328035436775
Energy: 0.9004535173119719
Energy: 0.5433328035431452
Energy: 0.9004535173119719
Energy: 0.5710343845755066
Energy: 0.5762723489920363
Energy: 0.5710343845755066
Energy: 0.576272348991504
Energy: 0.5710343845755066
Energy: 0.5762723489920363
Energy: 0.6017562812771389
Energy: 0.7245010384164909
Energy: 0.6017562812792682
Energy: 0.7245010384170232
Energy: 0.6017562812771389
Energy: 0.7245010384170232
Energy: 0.6510593407284002
Energy: 0.7591447903431315
Energy: 0.6510593407289325
Energy: 0.7591447903431315
Energy: 0.6510593407284002
Energy: 0.7591447903436639
Energy: 0.6399049881036053
Energy: 0.8956993973126635
Energy: 0.6399049881041377
Energy: 0.8956993973131957
Energy: 0.639904988103073
Energy: 0.8956993973126635
Energy: 0.5703758744212944
Energy: 0.6320150859923371
Energy: 0.5703758744212944
Energy: 0.6320150860013866
Energy: 0.5703758744212944
Energy: 0.6320150860008542
Energy: 0.6140846094526483
Energy: 0.882168153624412
Energy: 0.6140846094531808
Energy: 0.882168153624412
Energy: 0.6140846094526483
Energy: 0.882168153624412
Energy: 0.6377350505793671
Energy: 0.5742212725720025
Energy: 0.6377350505793671
Energy: 0.5742212725720025
Energy: 0.6377350505798993
Energy: 0.5742212725720025
Energy: 0.5434118942175526
Energy: 0.900545342650615
Energy: 0.5434118942175526
Energy: 0.900545342650615
Energy: 0.5434118942170203
Energy: 0.900545342650615
Energy: 0.5453460246650352
Energy: 0.9045821928367813
Energy: 0.5453460246650352
Energy: 0.9045821928373136
Energy: 0.5453460246650352
Energy: 0.9045821928373136
Energy: 0.5898112840522316
Energy: 0.6690031294780715
Energy: 0.5898112840522316
Energy: 0.6398943324396994
Energy: 0.5898112840522316
Energy: 0.6660085709251777
Energy: 0.5640702205309713
Energy: 0.5740755968790116
Energy: 0.5640702205309713
Energy: 0.5740755968790116
Energy: 0.5640702205309713
Energy: 0.5740755968790116
Energy: 0.5686516937642199
Energy: 0.8869898557870239
Energy: 0.5686516937636876
Energy: 0.9087433550791827
Energy: 0.5686516937636876
Energy: 0.9087433550791827
Energy: 0.6494639173960525
Energy: 0.7658777409141593
Energy: 0.6494639173955202
Energy: 0.7658777409146915
Energy: 0.6494639173960525
Energy: 0.7658777409141593
Energy: 0.705921087633004
Energy: 0.5999880020550087
Energy: 0.705921087633004
Energy: 0.5999880020550087
Energy: 0.705921087633004
Energy: 0.6564625878191142
Energy: 0.5550249459718013
Energy: 0.7344722187572033
Energy: 0.5550249459718013
Energy: 0.734472218756671
Energy: 0.5550249459723335
Energy: 0.7344722187572033
Energy: 0.5759564632401679
Energy: 0.5912601366549799
Energy: 0.5759564632396356
Energy: 0.5912601366555122
Energy: 0.5759564632401679
Energy: 0.5912601366549799
Energy: 0.5449097470260064
Energy: 0.7415105068776682
Energy: 0.5449097470265386
Energy: 0.7415105068771358
Energy: 0.5449097470265386
Energy: 0.7415105068776682

minimum gb energy = 0.5422848599195014 eV
minimum distance =  2.38361067866221 Angstroms
sigma value = 33


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

Energy: 0.6655524029828501
Energy: 0.6076289710159021
Energy: 0.6655524029828501
Energy: 0.6076289710173964
Energy: 0.6655524029828501
Energy: 0.6076289710159021
Energy: 0.9175656406774869
Energy: 0.5921373722014162
Energy: 0.9175656406763661
Energy: 0.5921373722002954
Energy: 0.9175656406771133
Energy: 0.5921373722014162
Energy: 0.905971131726567
Energy: 0.8004622969534637
Energy: 0.9059711317261933
Energy: 0.8004622969542109
Energy: 0.905971131726567
Energy: 0.8004622969538373
Energy: 0.883542934944242
Energy: 0.6008497885447136
Energy: 0.8835429349438684
Energy: 0.6008497885450872
Energy: 0.8835429349431212
Energy: 0.6008497885447136
Energy: 0.6139554257602198
Energy: 1.0760782216087512
Energy: 0.6139554257598461
Energy: 1.076078221609125
Energy: 0.6139554257602198
Energy: 1.0760782216094986
Energy: 0.9071766224442838
Energy: 0.6178245782808283
Energy: 0.9071766224446575
Energy: 0.6178245782808283
Energy: 0.9071766224442838
Energy: 0.6178245782808283
Energy: 0.6383767123384104
Energy: 0.7151985193113883
Energy: 0.6383767123387841
Energy: 0.7151985193113883
Energy: 0.6383767123387841
Energy: 0.7151985193113883
Energy: 0.6717533472781259
Energy: 0.7045145167423117
Energy: 0.6717533472781259
Energy: 0.7045145167423117
Energy: 0.6717533472792465
Energy: 0.7045145167423117
Energy: 1.0765656013062277
Energy: 0.630580642660503
Energy: 1.0765656013058542
Energy: 0.6305806426593822
Energy: 1.0765656013062277
Energy: 0.6305806426593822
Energy: 0.9411432330516041
Energy: 0.6105148144825647
Energy: 0.9411432330508569
Energy: 0.6105148144829384
Energy: 0.9411432330512305
Energy: 0.6105148144829384
Energy: 0.6680860411176829
Energy: 0.6688904078090371
Energy: 0.6680860411180564
Energy: 0.6688904078097843
Energy: 0.6680860411176829
Energy: 0.6688904078094107
Energy: 1.0728786084316146
Energy: 0.6009912938759542
Energy: 1.0728786084319883
Energy: 0.6009912938763278
Energy: 1.0728786084316146
Energy: 0.6009912938759542
Energy: 0.6309294274732978
Energy: 1.0768459398428294
Energy: 0.6309294274729242
Energy: 1.076845939842456
Energy: 0.6309294274732978
Energy: 1.076845939842456
Energy: 0.6997591220121382
Energy: 0.6687674450172806
Energy: 0.6997591220117646
Energy: 0.6687674450184015
Energy: 0.699759122011391
Energy: 0.6687674450187748
Energy: 0.6957240093304486
Energy: 0.6384712391888923
Energy: 0.6957240093308223
Energy: 0.638471239189266
Energy: 0.6957240093304486
Energy: 0.638471239189266
Energy: 0.6210995311904736
Energy: 0.8980202825392968
Energy: 0.6210995311904736
Energy: 0.8980202825396704
Energy: 0.6210995311900999
Energy: 0.8980202825400438
Energy: 1.0723708384132553
Energy: 0.5988735751260778
Energy: 1.0723708384128818
Energy: 0.5988735751275721
Energy: 1.0723708384140025
Energy: 0.5988735751264513
Energy: 0.5987661216317024
Energy: 0.6524016918499751
Energy: 0.5987661216317024
Energy: 0.6524016918507222
Energy: 0.5987661216320761
Energy: 0.6524016918503487
Energy: 0.9423245720883945
Energy: 0.9060308988716456
Energy: 0.9423245720831642
Energy: 0.906030898872019
Energy: 0.9423245720880208
Energy: 0.9060308988716456
Energy: 1.0881933049781312
Energy: 0.6421790920886773
Energy: 1.0881933049777577
Energy: 0.6421790920886773
Energy: 1.0881933049777577
Energy: 0.6421790920886773
Energy: 0.5985917762511196
Energy: 0.6660032495151363
Energy: 0.5985917762511196
Energy: 0.6660032495155099
Energy: 0.5985917762503725
Energy: 0.6660032495155099
Energy: 0.5902856736530834
Energy: 0.9160924708201585
Energy: 0.5902856736538306
Energy: 0.9160924708197851
Energy: 0.5902856736530834
Energy: 0.9160924708205321
Energy: 0.7550042920202682
Energy: 0.5904174600495934
Energy: 0.7550042920217626
Energy: 0.590417460049967
Energy: 0.755004292015038
Energy: 0.590417460049967
Energy: 0.6037186659390976
Energy: 0.8862657285983674
Energy: 0.6037186659390976
Energy: 0.8862657285987409
Energy: 0.6037186659394712
Energy: 0.8862657285983674
Energy: 1.0741771663433852
Energy: 0.5988617286860476
Energy: 1.074177166343012
Energy: 0.598861728687542
Energy: 1.074177166343759
Energy: 0.5988617286871685
Energy: 0.6163325710272662
Energy: 0.907566421269859
Energy: 0.6163325710268925
Energy: 0.9075664212691118
Energy: 0.6163325710268925
Energy: 0.9075664212691118
Energy: 0.7022023486448189
Energy: 0.6390096754917027
Energy: 0.7022023486440717
Energy: 0.6390096754920764
Energy: 0.7022023486444453
Energy: 0.639009675490582
Energy: 0.6493629168864955
Energy: 0.6045404211294767
Energy: 0.6493629168876164
Energy: 0.6045404211294767
Energy: 0.6493629168864955
Energy: 0.6045404211294767
Energy: 0.6327450827657777
Energy: 1.0773520888233026
Energy: 0.6327450827661514
Energy: 1.0773520888240495
Energy: 0.6327450827650305
Energy: 1.0773520888233026
Energy: 0.6089047037965097
Energy: 0.9420038684349236
Energy: 0.6089047037965097
Energy: 0.9420038684352973
Energy: 0.6089047037965097
Energy: 0.9420038684356707
Energy: 0.6499591532661539
Energy: 0.5988784594043551
Energy: 0.6499591532661539
Energy: 0.5988784594051023
Energy: 0.6499591532661539
Energy: 0.5988784594043551
Energy: 0.6038683319131556
Energy: 1.0717190635322231
Energy: 0.6038683319135291
Energy: 1.0717190635344647
Energy: 0.6038683319127819
Energy: 1.0717190635322231
Energy: 1.078656012025961
Energy: 0.6177148911280476
Energy: 1.0786560120267081
Energy: 0.6177148911273004
Energy: 1.0786560120263344
Energy: 0.6177148911291683
Energy: 0.6677246697100705
Energy: 0.6971244096794417
Energy: 0.6677246697100705
Energy: 0.6971244096798153
Energy: 0.6677246697100705
Energy: 0.6971244096794417
Energy: 0.667555593507473
Energy: 0.6971272487371685
Energy: 0.6675555935070995
Energy: 0.6971272487371685
Energy: 0.6675555935063523
Energy: 0.6971272487371685
Energy: 1.0784433824801036
Energy: 0.6176739864061148
Energy: 1.0784433824804769
Energy: 0.6176739864064884
Energy: 1.0784433824801036
Energy: 0.6176739864061148
Energy: 0.603853332508658
Energy: 1.0715680165194765
Energy: 0.603853332508658
Energy: 1.0715680165194765
Energy: 0.603853332508658
Energy: 1.0715680165191028
Energy: 0.6501201135171131
Energy: 0.598873370425449
Energy: 0.6501201135148715
Energy: 0.598873370425449
Energy: 0.6501201135163659
Energy: 0.5988733704250755
Energy: 0.6088985493735469
Energy: 0.9420123391073127
Energy: 0.6088985493735469
Energy: 0.9420123391050712
Energy: 0.6088985493731736
Energy: 0.9420123391058183
Energy: 0.6324634692692157
Energy: 1.0773603134523277
Energy: 0.6324634692695894
Energy: 1.0773603134523277
Energy: 0.6324634692695894
Energy: 1.0773603134512069
Energy: 0.6490536207806782
Energy: 0.6046367064746028
Energy: 0.6490536207810518
Energy: 0.6046367064738557
Energy: 0.6490536207810518
Energy: 0.6046367064738557
Energy: 0.7023404927765421
Energy: 0.6389870517857433
Energy: 0.7023404927757949
Energy: 0.6389870517849962
Energy: 0.7023404927757949
Energy: 0.6389870517857433
Energy: 0.616357083771129
Energy: 0.9074712670499193
Energy: 0.6163570837718761
Energy: 0.9074712670499193
Energy: 0.6163570837718761
Energy: 0.9074712670499193
Energy: 1.0736547763567572
Energy: 0.5990057666990046
Energy: 1.0736547763575044
Energy: 0.5990057666993781
Energy: 1.0736547763567572
Energy: 0.5990057666990046
Energy: 0.6036770834073238
Energy: 0.8862570854335536
Energy: 0.6036770834073238
Energy: 0.8862570854339272
Energy: 0.6036770834069501
Energy: 0.8862570854335536
Energy: 0.7550588071777473
Energy: 0.5903612012704049
Energy: 0.7550588071784945
Energy: 0.5903612012700314
Energy: 0.7550588071784945
Energy: 0.5903612012696579
Energy: 0.5902607278298292
Energy: 0.9162624015136928
Energy: 0.5902607278294556
Energy: 0.9162624015110779
Energy: 0.5902607278298292
Energy: 0.9162624015095835

minimum gb energy = 0.5902607278294556 eV
minimum distance =  2.36798691887892 Angstroms
sigma value = 67


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

Energy: 0.6816178686933008
Energy: 0.6262419797108445
Energy: 0.6816178686935561
Energy: 0.6262419797108445
Energy: 0.6816178686935561
Energy: 0.6262419797108445
Energy: 0.6190446605772861
Energy: 0.6083951894688314
Energy: 0.619044661205682
Energy: 0.6083951894693421
Energy: 0.6190446611390631
Energy: 0.6083951894693421
Energy: 0.7244835380264697
Energy: 0.8325856429185063
Energy: 0.7244835380264697
Energy: 0.832585642919017
Energy: 0.8305301643493149
Energy: 0.8325856429185063
Energy: 0.6183663385223659
Energy: 0.60866070800208
Energy: 0.6183663385141093
Energy: 0.60866070800208
Energy: 0.6183663385231035
Energy: 0.6086607080023354
Energy: 0.6816178686933008
Energy: 0.6262419797108445
Energy: 0.6816178686933008
Energy: 0.6262419797108445
Energy: 0.6816178686933008
Energy: 0.6262419797108445
Energy: 0.6190446633047983
Energy: 0.6083951894688314
Energy: 0.6190446606738664
Energy: 0.6083951894693421
Energy: 0.6190446610818923
Energy: 0.6083951894693421
Energy: 0.8049062786684014
Energy: 0.8325856429185063
Energy: 0.8049062786684014
Energy: 0.8325856429185063
Energy: 0.8049062786676637
Energy: 0.8325856429192442

minimum gb energy = 0.6083951894688314 eV
minimum distance =  2.3879198403858 Angstroms
sigma value = 3


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

Energy: 0.8703433991577892
Energy: 0.7315159778736335
Energy: 0.8703433991571098
Energy: 0.7315159778733246
Energy: 0.8703433991571098
Energy: 0.7315159778733246
Energy: 0.780764552736051
Energy: 0.720720296045252
Energy: 0.7807645527370395
Energy: 0.7207202960445724
Energy: 0.7807645527370395
Energy: 0.7207202960456227
Energy: 0.7419433693033349
Energy: 0.8696026572519026
Energy: 0.741943369303026
Energy: 0.8696026572515936
Energy: 0.7419433693033349
Energy: 0.869602657250914
Energy: 0.798927565833268
Energy: 0.709357160300592
Energy: 0.7989275658339474
Energy: 0.709357160300592
Energy: 0.7989275658353066
Energy: 0.7121115411878365
Energy: 0.7684284809214994
Energy: 0.7554507456683531
Energy: 0.7684284809211289
Energy: 0.755450745666994
Energy: 0.7684284809214994
Energy: 0.7554507456683531
Energy: 0.7304510299060889
Energy: 0.7761705078787299
Energy: 0.7304510299060889
Energy: 0.7761705078784209
Energy: 0.73045102990578
Energy: 0.7761705078787299
Energy: 0.8229394766385781
Energy: 0.8735384138797141
Energy: 0.8229394766369101
Energy: 0.8735384138794052
Energy: 0.8229394766369101
Energy: 0.8735384138794052
Energy: 0.7043727790468144
Energy: 0.7070325303917144
Energy: 0.7043727790471234
Energy: 0.707032530392085
Energy: 0.7043727790478028
Energy: 0.7070325303927645
Energy: 0.7243497760029366
Energy: 0.753654418112705
Energy: 0.7243497760026277
Energy: 0.7536544204149838
Energy: 0.724349776002257
Energy: 0.7536544189926464
Energy: 0.7935632535343762
Energy: 0.7767606482536663
Energy: 0.7935632535343762
Energy: 0.7767606478369234
Energy: 0.7935632535340055
Energy: 0.7767606475387292
Energy: 0.7764034578652803
Energy: 0.8472762419942568
Energy: 0.7764034578662687
Energy: 0.8472762419935773
Energy: 0.7764034578652803
Energy: 0.8472762419942568
Energy: 0.7271549773908582
Energy: 0.7509254761593959
Energy: 0.7271549773908582
Energy: 0.7509254761600755
Energy: 0.7271549773905494
Energy: 0.76970918900119
Energy: 0.7378325657251862
Energy: 0.7347125247700853
Energy: 0.7378325657258658
Energy: 0.7347125247703942
Energy: 0.7378325657258658
Energy: 0.7347125247700853
Energy: 0.7746138798833135
Energy: 0.822396908452141
Energy: 0.774613879883993
Energy: 0.8223969084538708
Energy: 0.7746138798833135
Energy: 0.8223969084518321
Energy: 0.8297646870386538
Energy: 0.796904540743583
Energy: 0.8297646870403218
Energy: 0.7969045407425328
Energy: 0.8297646870400129
Energy: 0.7969045407438919
Energy: 0.796880327481414
Energy: 0.7477512412622649
Energy: 0.7968803274811052
Energy: 0.7477512412618941
Energy: 0.7968803274807347
Energy: 0.77177300568757
Energy: 0.777738492283107
Energy: 0.7125623471059035
Energy: 0.7777384922834777
Energy: 0.7125623471062741
Energy: 0.7777384922834777
Energy: 0.7125623471055946
Energy: 0.7305678216996765
Energy: 0.8727237203875428
Energy: 0.7305678216976379
Energy: 0.8727237203879133
Energy: 0.7305678216969582
Energy: 0.872723720382786
Energy: 0.836979393667184
Energy: 0.7356279215320031
Energy: 0.836979393667184
Energy: 0.7356279215316323
Energy: 0.836979393666875
Energy: 0.7356279215320031
Energy: 0.726999389403573
Energy: 0.7791280978309598
Energy: 0.726999389403573
Energy: 0.7607953884371712
Energy: 0.726999389403264
Energy: 0.7607953884371712
Energy: 0.7758643882266997
Energy: 0.8011585730515421
Energy: 0.7758643882260202
Energy: 0.8011585730535807
Energy: 0.7758643882270085
Energy: 0.8011585730485151
Energy: 0.6937850453062471
Energy: 0.8867322977808748
Energy: 0.6937850453072356
Energy: 0.8867322977812454
Energy: 0.6937850453058765
Energy: 0.8867322977815544
Energy: 0.8368292617784419
Energy: 0.6999361270791759
Energy: 0.8368292617788126
Energy: 0.6999361270788051
Energy: 0.8368292617777624
Energy: 0.6999361270798554
Energy: 0.6880068371178928
Energy: 0.7439383472021651
Energy: 0.6880068371175839
Energy: 0.7439383472017944
Energy: 0.6880068371182634
Energy: 0.7439383472024741
Energy: 0.7799593920742348
Energy: 0.8010241038033601
Energy: 0.7799593920735552
Energy: 0.8010241038033601
Energy: 0.7799593920738642
Energy: 0.8010241038030512
Energy: 0.7366988073979351
Energy: 0.8066168553627294
Energy: 0.7366988073982439
Energy: 0.8066168553586522
Energy: 0.7366988073982439
Energy: 0.806616855357602
Energy: 0.8361938355933547
Energy: 0.7705390072677067
Energy: 0.8361938355923045
Energy: 0.770539007267336
Energy: 0.8361938355919958
Energy: 0.7705390072670272
Energy: 0.7039042739778251
Energy: 0.6793473224645817
Energy: 0.7039042739771456
Energy: 0.6793473224639023
Energy: 0.7039042739778251
Energy: 0.6793473224648907
Energy: 0.771898902754032
Energy: 0.7133143709296638
Energy: 0.7718989027523641
Energy: 0.7133143709292932
Energy: 0.7718989027523641
Energy: 0.7133143709292932
Energy: 0.8022269271851946
Energy: 0.7349600389370216
Energy: 0.8022269271876039
Energy: 0.7349600389373304
Energy: 0.8022269271855654
Energy: 0.7349600389370216
Energy: 0.7797473336376807
Energy: 0.7087733477585884
Energy: 0.7797473336373718
Energy: 0.7087733477585884
Energy: 0.7797473336363215
Energy: 0.7087733477588973
Energy: 0.7497275210469552
Energy: 0.7097246420001126
Energy: 0.7497275210462757
Energy: 0.7097246420001126
Energy: 0.7497275210462757
Energy: 0.7097246419998039
Energy: 0.7273137048842335
Energy: 0.7180644309502823
Energy: 0.727313704883554
Energy: 0.718064430950653
Energy: 0.7273137048849131
Energy: 0.718064430950653
Energy: 0.8545696040086649
Energy: 0.7730009198750967
Energy: 0.854569604005267
Energy: 0.7730009198757762
Energy: 0.854569604003908
Energy: 0.7730009198750967
Energy: 0.780095434257188
Energy: 0.7673429161133035
Energy: 0.7800954342540991
Energy: 0.7673429161129328
Energy: 0.7800954342568174
Energy: 0.767342916114292
Energy: 0.768713548676003
Energy: 0.7989527090820274
Energy: 0.7687135486753234
Energy: 0.7989527090840661
Energy: 0.7687135486763735
Energy: 0.798952709083016
Energy: 0.6889514069986789
Energy: 0.783050126542188
Energy: 0.6889514069986789
Energy: 0.7830501265418791
Energy: 0.6889514069989878
Energy: 0.7830501265425587
Energy: 0.9013104492784408
Energy: 0.7226929131484102
Energy: 0.9013104492791202
Energy: 0.7226929131493987
Energy: 0.9013104492797998
Energy: 0.7226929131493987
Energy: 0.7065813615220593
Energy: 0.8305322179861645
Energy: 0.7065813615220593
Energy: 0.8305322179844349
Energy: 0.7065813615220593
Energy: 0.8305322179861645
Energy: 0.7792821616224349
Energy: 0.7989105715776906
Energy: 0.7792821616228057
Energy: 0.7989105715780613
Energy: 0.7792821616241649
Energy: 0.7989105715780613
Energy: 0.7286921993551259
Energy: 0.8144273772268803
Energy: 0.7286921993547552
Energy: 0.8144273772255213
Energy: 0.7286921993547552
Energy: 0.8144273772275598
Energy: 0.8482095296508209
Energy: 0.6839160343557436
Energy: 0.8482095296494617
Energy: 0.6839160343571027
Energy: 0.8482095296531684
Energy: 0.6839160343564231
Energy: 0.7089040423054244
Energy: 0.8797971338983964
Energy: 0.7089040423047449
Energy: 0.8797971338980876
Energy: 0.7089040423050538
Energy: 0.8797971338980876
Energy: 0.807728954143308
Energy: 0.7097670751765288
Energy: 0.8077289541439877
Energy: 0.7097670751754787
Energy: 0.8077289541426286
Energy: 0.7097670751761581
Energy: 0.7979821968629337
Energy: 0.757918192923891
Energy: 0.7979821968629337
Energy: 0.7579181929235203
Energy: 0.7979821968633043
Energy: 0.7579181929232114
Energy: 0.8110163607157416
Energy: 0.7143762146136738
Energy: 0.8110163607211778
Energy: 0.714376214613365
Energy: 0.8110163607235253
Energy: 0.7143762146140444
Energy: 0.7525937636840172
Energy: 0.880141546869113
Energy: 0.7525937636843878
Energy: 0.8801415468680627
Energy: 0.7525937636840172
Energy: 0.8801415468657152
Energy: 0.7573828520263928
Energy: 0.7109725490372155
Energy: 0.7573828520263928
Energy: 0.7109725490375244
Energy: 0.7573828520270725
Energy: 0.710972549036536
Energy: 0.7281610318778605
Energy: 0.7555234370308971
Energy: 0.7281610318775517
Energy: 0.7555234370284879
Energy: 0.7281610318778605
Energy: 0.7555234370284879
Energy: 0.8005792415131845
Energy: 0.8004973788607177
Energy: 0.8005792415128139
Energy: 0.8004973788607177
Energy: 0.8005792415125051
Energy: 0.8004973788583084
Energy: 0.7245262061422278
Energy: 0.8434663227753574
Energy: 0.7245262061429073
Energy: 0.8434663227749866
Energy: 0.7245262061445754
Energy: 0.8434663227746777

minimum gb energy = 0.6793473224639023 eV
minimum distance =  2.30261866159816 Angstroms
sigma value = 81


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

Energy: 0.8023934719743259
Energy: 0.7526592365022015
Energy: 0.8023934719733934
Energy: 0.7526592365022015
Energy: 0.8023934719733934
Energy: 0.7526592365026676
Energy: 0.7318556746422511
Energy: 0.7133455621646844
Energy: 0.7318556746422511
Energy: 0.7133455621628615
Energy: 0.7318556746422511
Energy: 0.7133455621637518
Energy: 0.8720289047074319
Energy: 0.6903909946364962
Energy: 0.8720289047074319
Energy: 0.6903909946364962
Energy: 0.8720289047078982
Energy: 0.6903909946364962
Energy: 0.7379466672229165
Energy: 0.7588305464515405
Energy: 0.7379466672219838
Energy: 0.7588305464515405
Energy: 0.7379466672224502
Energy: 0.7588305464515405
Energy: 0.7598679879777338
Energy: 0.6923722843024248
Energy: 0.7598679879772675
Energy: 0.6923722843033575
Energy: 0.7598679879782002
Energy: 0.6923722843028911
Energy: 0.7140554888693698
Energy: 0.6868880434878493
Energy: 0.7140554888693698
Energy: 0.6868880434873829
Energy: 0.7140554888693698
Energy: 0.6868880434878493
Energy: 0.6908629746587918
Energy: 0.6903964117573124
Energy: 0.6908629746587918
Energy: 0.6903964117573124
Energy: 0.6908629746592581
Energy: 0.6903964117573124
Energy: 0.8378994526685017
Energy: 0.7871657065918983
Energy: 0.8378994526685017
Energy: 0.7871657065932973
Energy: 0.8378994526685017
Energy: 0.7871657065928311
Energy: 0.9013089817413128
Energy: 0.7719336805630312
Energy: 0.9013089817413128
Energy: 0.7719336805877043
Energy: 0.9013089817413128
Energy: 0.7719336805723156
Energy: 0.7649670581369596
Energy: 0.9018767069742515
Energy: 0.764967058136027
Energy: 0.9018767069733187
Energy: 0.7649670581355607
Energy: 0.9018767069733187
Energy: 0.7598565654053404
Energy: 0.7368291649408978
Energy: 0.7598565654053404
Energy: 0.7368291649404314
Energy: 0.7598565654053404
Energy: 0.7368291649408978
Energy: 0.6882562442438039
Energy: 0.707774642776734
Energy: 0.6882562442438039
Energy: 0.7077746427772004
Energy: 0.6882562442438039
Energy: 0.707774642776734
Energy: 0.7256787064814034
Energy: 0.7138606863816228
Energy: 0.7256787064814034
Energy: 0.7138606863825554
Energy: 0.725678706482336
Energy: 0.7138606863834881
Energy: 0.8089551864151198
Energy: 0.6867032970662792
Energy: 0.8089551864151198
Energy: 0.6867032970667455
Energy: 0.8089551864155861
Energy: 0.6867032970662792
Energy: 0.6868140955913459
Energy: 0.6815428088725399
Energy: 0.6868140955918123
Energy: 0.6815428088725399
Energy: 0.6868140955913459
Energy: 0.6815428088725399
Energy: 0.7137381000651454
Energy: 0.6895998759394838
Energy: 0.7137381000642128
Energy: 0.6895998759404165
Energy: 0.7137381000656118
Energy: 0.6895998759404165
Energy: 0.7638966672654083
Energy: 0.6875356559249597
Energy: 0.763896667264942
Energy: 0.6875356559258923
Energy: 0.763896667264942
Energy: 0.6875356559249597
Energy: 0.7316287652782424
Energy: 0.7975415530192916
Energy: 0.7316287652782424
Energy: 0.7975415530192916
Energy: 0.7316287652782424
Energy: 0.7975415530197579
Energy: 0.6872739451584222
Energy: 0.8418304614735855
Energy: 0.6872739451584222
Energy: 0.8418304614735855
Energy: 0.6872739451588885
Energy: 0.8418304614726531
Energy: 0.7581034274805492
Energy: 0.8363137585328362
Energy: 0.7581034274805492
Energy: 0.8363137585328362
Energy: 0.7581034274805492
Energy: 0.8363137585328362
Energy: 0.7188477082524194
Energy: 0.8383257777378433
Energy: 0.7188477082547511
Energy: 0.8383257777378433
Energy: 0.7188477082482224
Energy: 0.8383257777378433
Energy: 0.7759707850383085
Energy: 0.7384904716628122
Energy: 0.7759707850387747
Energy: 0.7384904716628122
Energy: 0.7759707850378421
Energy: 0.7384904716632786
Energy: 0.7763165768920934
Energy: 0.668752360711587
Energy: 0.7763165768925598
Energy: 0.668752360711587
Energy: 0.776316576891627
Energy: 0.668752360711587
Energy: 0.7993913686960255
Energy: 0.8393999032332952
Energy: 0.799391368695559
Energy: 0.8393999032332952
Energy: 0.799391368695559
Energy: 0.8393999032337617
Energy: 0.77172606868858
Energy: 0.8335341626174871
Energy: 0.7717260686899788
Energy: 0.8335341626179534
Energy: 0.77172606868858
Energy: 0.8335341626179534
Energy: 0.6872974660115102
Energy: 0.9733349075475205
Energy: 0.6872974660115102
Energy: 0.9733349075470542
Energy: 0.6872974660119765
Energy: 0.9733349075470542
Energy: 0.7318630664987021
Energy: 0.740344317562875
Energy: 0.7318630664987021
Energy: 0.7403443175619422
Energy: 0.7318630664991685
Energy: 0.740344317564274
Energy: 0.7093505242836967
Energy: 0.6873435361243087
Energy: 0.7093505242827641
Energy: 0.6873435361238424
Energy: 0.7093505242832305
Energy: 0.687343536124775
Energy: 0.7134564417988064
Energy: 0.7319907889981759
Energy: 0.7134564417983401
Energy: 0.7319907889986422
Energy: 0.7134564417988064
Energy: 0.7319907889981759
Energy: 0.6866809341124162
Energy: 0.6809138682879154
Energy: 0.6866809341133487
Energy: 0.6809138682879154
Energy: 0.6866809341133487
Energy: 0.6809138682879154
Energy: 0.7586540471400656
Energy: 0.6866583940353251
Energy: 0.7586540471405319
Energy: 0.6866583940348587
Energy: 0.7586540471409983
Energy: 0.6866583940348587
Energy: 0.6893234364705504
Energy: 0.7647818205327023
Energy: 0.6893234364696177
Energy: 0.7647818205322359
Energy: 0.689323436470084
Energy: 0.7647818205317696
Energy: 0.6883800131761094
Energy: 0.7279758976622928
Energy: 0.6883800131756431
Energy: 0.7279758976622928
Energy: 0.6883800131756431
Energy: 0.7279758976618264
Energy: 0.6874713009400814
Energy: 0.6895423575457637
Energy: 0.6874713009400814
Energy: 0.6895423575466962
Energy: 0.6874713009400814
Energy: 0.6895423575457637
Energy: 0.7600566153110363
Energy: 0.8058076805269315
Energy: 0.7600566153115026
Energy: 0.8058076805269315
Energy: 0.7600566153110363
Energy: 0.8058076805264652
Energy: 0.9150042203811924
Energy: 0.7583122055031687
Energy: 0.9150042203811924
Energy: 0.7583122055082984
Energy: 0.9150042203811924
Energy: 0.7583122055017698
Energy: 0.8378956184787366
Energy: 0.8073025795115648
Energy: 0.8378956184787366
Energy: 0.8073025795129639
Energy: 0.8378956184787366
Energy: 0.8073025795120312
Energy: 0.7392899784518556
Energy: 0.6904888559468881
Energy: 0.739289978452322
Energy: 0.6904888559473545
Energy: 0.739289978452322
Energy: 0.6904888559473545

minimum gb energy = 0.668752360711587 eV
minimum distance =  2.41203646311742 Angstroms
sigma value = 43


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

Energy: 0.9931394039074735
Energy: 0.7546359358266946
Energy: 0.9931394039069007
Energy: 0.7546359358261219
Energy: 0.9931394039074735
Energy: 0.7546359358261219
Energy: 0.7885178504395625
Energy: 0.7184134259412589
Energy: 0.7885178504395625
Energy: 0.7184134259412589
Energy: 0.7885178504395625
Energy: 0.7184134259412589
Energy: 0.7875089901236383
Energy: 0.8945204706134551
Energy: 0.7875089901236383
Energy: 0.8945204706134551
Energy: 0.7875089901236383
Energy: 0.8945204706134551
Energy: 0.7212191423469807
Energy: 0.7375969400152083
Energy: 0.7212191423464078
Energy: 0.737596940015781
Energy: 0.7212191423469807
Energy: 0.7375969400152083
Energy: 0.7810331603544458
Energy: 0.7662686946397734
Energy: 0.7810331603544458
Energy: 0.7662686946397734
Energy: 0.7810331603544458
Energy: 0.7662686946397734
Energy: 0.8171274918527522
Energy: 0.7699242271570046
Energy: 0.8171274918527522
Energy: 0.7699242271581502
Energy: 0.8171274918521795
Energy: 0.7699242271570046
Energy: 0.7792558860705333
Energy: 0.8336039218965874
Energy: 0.7792558860699605
Energy: 0.8336039218965874
Energy: 0.7792558860711062
Energy: 0.8336039218965874
Energy: 0.7479239747096155
Energy: 0.7935284604303141
Energy: 0.7479239747096155
Energy: 0.7935284604297412
Energy: 0.7479239747096155
Energy: 0.7935284604297412
Energy: 0.8512275624617287
Energy: 0.7044218602051331
Energy: 0.8512275624617287
Energy: 0.7044218602051331
Energy: 0.8512275624623015
Energy: 0.7044218602051331
Energy: 0.7359193532531535
Energy: 0.8167206569662292
Energy: 0.7359193532531535
Energy: 0.8167206569656563
Energy: 0.7359193532531535
Energy: 0.8167206569656563
Energy: 0.8421832455223767
Energy: 0.7319130461527545
Energy: 0.8421832455223767
Energy: 0.7319130461527545
Energy: 0.8421832455229494
Energy: 0.7319130461539002
Energy: 0.7480015936250605
Energy: 0.8576174844070261
Energy: 0.7480015936250605
Energy: 0.8576174844070261
Energy: 0.7480015936250605
Energy: 0.8576174844070261
Energy: 0.7951620620414469
Energy: 0.7706693447676082
Energy: 0.7951620620414469
Energy: 0.7706693447676082
Energy: 0.7951620620414469
Energy: 0.7706693447670354
Energy: 0.7020542768806972
Energy: 0.9431880189734708
Energy: 0.7020542768806972
Energy: 0.9431880189734708
Energy: 0.70205427688127
Energy: 0.9431880189734708
Energy: 0.8422875778865141
Energy: 0.7730641708504152
Energy: 0.8422875778865141
Energy: 0.7730641708504152
Energy: 0.8422875778865141
Energy: 0.7730641708504152
Energy: 0.8337814331615941
Energy: 0.8175906176715283
Energy: 0.8337814331615941
Energy: 0.8175906176715283
Energy: 0.8337814331615941
Energy: 0.8175906176715283
Energy: 0.8073683471219807
Energy: 0.7186266910715613
Energy: 0.8073683471231262
Energy: 0.7186266910715613
Energy: 0.8073683471231262
Energy: 0.7186266910715613
Energy: 0.8565818392301564
Energy: 0.7516454179550809
Energy: 0.8565818392301564
Energy: 0.7516454179550809
Energy: 0.8565818392301564
Energy: 0.7516454179550809
Energy: 0.8783979207280687
Energy: 0.8150734079858487
Energy: 0.8783979207280687
Energy: 0.8150734079858487
Energy: 0.8783979207280687
Energy: 0.8150734079858487
Energy: 0.8072756726141052
Energy: 0.7182107362833693
Energy: 0.8072756726135324
Energy: 0.7182107362839422
Energy: 0.8072756726141052
Energy: 0.7182107362839422
Energy: 0.833923089282916
Energy: 0.8248422194725057
Energy: 0.833923089282916
Energy: 0.8248422194725057
Energy: 0.833923089282916
Energy: 0.8248422194725057
Energy: 0.8552010342710518
Energy: 0.8068074870060437
Energy: 0.8552010342710518
Energy: 0.8068074870060437
Energy: 0.8552010342710518
Energy: 0.8068074870060437
Energy: 0.7019500010447588
Energy: 0.8037648266267664
Energy: 0.7019500010447588
Energy: 0.8037648266279122
Energy: 0.7019500010453316
Energy: 0.8037648266279122
Energy: 0.7969229721125327
Energy: 0.7702923673862944
Energy: 0.7969229721125327
Energy: 0.7702923673862944
Energy: 0.7969229721125327
Energy: 0.7702923673874399
Energy: 0.7482665810399922
Energy: 0.8314378769465612
Energy: 0.7482665810399922
Energy: 0.8314378769465612
Energy: 0.7482665810399922
Energy: 0.8314378769465612
Energy: 0.855211610340038
Energy: 0.7635890500654334
Energy: 0.855211610340038
Energy: 0.7635890500654334
Energy: 0.855211610340038
Energy: 0.7635890500654334
Energy: 0.7328937475647711
Energy: 0.7181159827032856
Energy: 0.7328937475647711
Energy: 0.7181159827055767
Energy: 0.7328937475647711
Energy: 0.718115982705004
Energy: 0.8622801798272879
Energy: 0.7628117173131285
Energy: 0.862280179826715
Energy: 0.7628117173131285
Energy: 0.8622801798272879
Energy: 0.7628117173131285
Energy: 0.7480259516327591
Energy: 0.7964616160547057
Energy: 0.7480259516333319
Energy: 0.7964616160547057
Energy: 0.7480259516327591
Energy: 0.7964616160547057
Energy: 0.7783978198827289
Energy: 0.8103166392473856
Energy: 0.7783978198827289
Energy: 0.8103166392473856
Energy: 0.7783978198827289
Energy: 0.8103166392473856
Energy: 0.8179631863244569
Energy: 0.7706165606163802
Energy: 0.8179631863250296
Energy: 0.7706165606163802
Energy: 0.8179631863244569
Energy: 0.7706165606163802

minimum gb energy = 0.7019500010447588 eV
minimum distance =  2.33137232253286 Angstroms
sigma value = 57


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

Energy: 0.9236122860868238
Energy: 0.7699251515418465
Energy: 0.8304248956220519
Energy: 0.7699251515411385
Energy: 0.9236122860860821
Energy: 0.7699251515411385
Energy: 0.8517493423518699
Energy: 0.7398261899842213
Energy: 0.8517493423518699
Energy: 0.7398261899842213
Energy: 0.8517493423518699
Energy: 0.7398261899834796
Energy: 0.8219942655050133
Energy: 0.8716942974136582
Energy: 0.8201133624958898
Energy: 0.8716942974136582
Energy: 0.8219942203908147
Energy: 0.8716942974136582
Energy: 0.7703733976846939
Energy: 0.8629834518026092
Energy: 0.7703733976854356
Energy: 0.8629834518026092
Energy: 0.7703733976846939
Energy: 0.8629834518026092
Energy: 0.963280771499101
Energy: 0.8113689417691962
Energy: 0.963280771499101
Energy: 0.8113689417691962
Energy: 0.963280771499101
Energy: 0.8113689417691962
Energy: 0.7934342338615653
Energy: 0.7391504456993742
Energy: 0.7934342338615653
Energy: 0.7391504456993742
Energy: 0.7934342338623069
Energy: 0.7391504456993742
Energy: 0.8434512325354782
Energy: 0.8717335278886644
Energy: 0.8434512325354782
Energy: 0.8717335278886644
Energy: 0.8434512325347365
Energy: 0.8717335278886644
Energy: 0.7693675891968748
Energy: 0.8371320551627198
Energy: 0.7693675891968748
Energy: 0.8371320551627198
Energy: 0.7693675891976165
Energy: 0.8371320551627198
Energy: 0.9183473097305584
Energy: 0.7425719302965982
Energy: 0.9183473097305584
Energy: 0.7425719302973398
Energy: 0.9183473097313001
Energy: 0.7425719302965982
Energy: 0.7302942173015016
Energy: 0.780418377904585
Energy: 0.7291113003456118
Energy: 0.780418377904585
Energy: 0.7302942173015016
Energy: 0.8470014604095089
Energy: 0.8013546835513361
Energy: 0.8638921782385485
Energy: 0.8013546835513361
Energy: 0.8638921782385485
Energy: 0.8013546835513361
Energy: 0.8638921782385485
Energy: 0.8919299490937191
Energy: 0.8891241958262479
Energy: 0.8919299490937191
Energy: 0.8891241958262479
Energy: 0.8919299490937191
Energy: 0.8891241958262479
Energy: 0.8124190832997655
Energy: 0.7399422165391983
Energy: 0.8124190832997655
Energy: 0.7399422165399402
Energy: 0.8124190833005072
Energy: 0.7399422165391983
Energy: 0.8551391713906553
Energy: 0.7456872171807034
Energy: 0.8444908430809199
Energy: 0.745687217181445
Energy: 0.855139171391397
Energy: 0.7456872171807034
Energy: 0.8424532283286561
Energy: 0.7419257406155334
Energy: 0.7953261623300039
Energy: 0.7419257406170167
Energy: 0.8424532283286561
Energy: 0.7419257406147918
Energy: 0.922517358724266
Energy: 0.9343282647600292
Energy: 0.922517358724266
Energy: 0.9343282647592875
Energy: 0.922517358724266
Energy: 0.9343282647592875
Energy: 0.7267762144225488
Energy: 0.7724433464404463
Energy: 0.7268194650408479
Energy: 0.772443346441188
Energy: 0.7267762144232904
Energy: 0.7724433464404463
Energy: 0.8006543784617635
Energy: 0.6909419972346221
Energy: 0.8006543784617635
Energy: 0.6909419972338804
Energy: 0.8006543784625053
Energy: 0.6909419972346221
Energy: 0.7267778072996288
Energy: 0.7723735103909428
Energy: 0.7267778072996288
Energy: 0.7723735103924262
Energy: 0.7267778073003704
Energy: 0.7723735103924262
Energy: 0.8880934154138733
Energy: 0.9343272208910758
Energy: 0.8880934154138733
Energy: 0.9343272208910758
Energy: 0.8880934154138733
Energy: 0.9343272208910758
Energy: 0.7955069198325693
Energy: 0.7433908163413072
Energy: 0.7955069198325693
Energy: 0.7433908163413072
Energy: 0.7955069198325693
Energy: 0.7433908163413072
Energy: 0.8443556836517372
Energy: 0.7923472842198224
Energy: 0.8443556836517372
Energy: 0.7923472842190806
Energy: 0.8443556836517372
Energy: 0.7923472842190806
Energy: 0.9120641263263781
Energy: 0.7395247686020288
Energy: 0.9137926873272899
Energy: 0.7395247686020288
Energy: 0.9120641263271198
Energy: 0.7395247686020288
Energy: 0.8958855428729925
Energy: 0.9746677152453656
Energy: 0.8957937800686071
Energy: 0.9746677152453656
Energy: 0.8958855428729925
Energy: 0.9746677152453656

minimum gb energy = 0.6909419972338804 eV
minimum distance =  2.30022559053986 Angstroms
sigma value = 17


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

Energy: 0.9893258850751513
Energy: 0.717961253320301
Energy: 0.9893258850741026
Energy: 0.717961253320301
Energy: 0.9893258850741026
Energy: 0.717961253320301
Energy: 0.7997920427450466
Energy: 0.6894422467930489
Energy: 0.7997920427439976
Energy: 0.6894422467930489
Energy: 0.7997920427439976
Energy: 0.6894422467930489
Energy: 0.7605087625244087
Energy: 0.808210468027926
Energy: 0.7605087625244087
Energy: 0.808210468027926
Energy: 0.7605087625244087
Energy: 0.808210468027926
Energy: 0.8931410805498323
Energy: 0.7800470881650725
Energy: 0.8931410805487836
Energy: 0.7800470881650725
Energy: 0.8931410805487836
Energy: 0.7800470881650725
Energy: 0.8767278188565579
Energy: 0.893234672755962
Energy: 0.8767278188565579
Energy: 0.893234672755962
Energy: 0.8767278188565579
Energy: 0.893234672755962
Energy: 0.7312949428365333
Energy: 0.7740661100013129
Energy: 0.7312949428354844
Energy: 0.7740661100002639
Energy: 0.7312949428354844
Energy: 0.7740661100002639
Energy: 0.7656765432761394
Energy: 0.681842572189542
Energy: 0.7656765432761394
Energy: 0.681842572189542
Energy: 0.7656765432761394
Energy: 0.681842572189542
Energy: 0.8933071463279426
Energy: 0.8720495639085171
Energy: 0.8933071463279426
Energy: 0.8720495639085171
Energy: 0.8933071463279426
Energy: 0.8720495639085171
Energy: 0.7498950920833478
Energy: 0.8219202783126367
Energy: 0.7498950920833478
Energy: 0.8219202783115878
Energy: 0.7498950920833478
Energy: 0.8219202783115878
Energy: 0.722174098977892
Energy: 0.6908738527988795
Energy: 0.722174098977892
Energy: 0.6908738527988795
Energy: 0.722174098977892
Energy: 0.6908738527988795
Energy: 0.719304497617119
Energy: 0.7824988671874331
Energy: 0.719304497617119
Energy: 0.7824988671863842
Energy: 0.719304497617119
Energy: 0.7824988671863842
Energy: 0.8428484697208714
Energy: 0.822346542399205
Energy: 0.8428484697208714
Energy: 0.8223465423981564
Energy: 0.8428484697208714
Energy: 0.822346542399205
Energy: 0.6511134955349249
Energy: 0.7718014291238501
Energy: 0.6511134955349249
Energy: 0.7718014291238501
Energy: 0.6511134955349249
Energy: 0.7718014291228013
Energy: 0.7309985287877606
Energy: 0.7813146473337715
Energy: 0.7309985287867119
Energy: 0.7813146473337715
Energy: 0.7309985287877606
Energy: 0.7813146473337715
Energy: 0.7299115488047245
Energy: 0.8755273726458808
Energy: 0.7299115488047245
Energy: 0.8755273726458808
Energy: 0.7299115488047245
Energy: 0.8755273726458808
Energy: 0.7300350046047195
Energy: 0.9782066102953427
Energy: 0.7300350046057682
Energy: 0.9782066102942939
Energy: 0.7300350046057682
Energy: 0.9782066102953427
Energy: 0.732431579927948
Energy: 0.7829117171036186
Energy: 0.732431579927948
Energy: 0.7829117171036186
Energy: 0.732431579927948
Energy: 0.7829117171036186

minimum gb energy = 0.6511134955349249 eV
minimum distance =  2.34872526214986 Angstroms
sigma value = 17


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

Energy: 0.9560742851710711
Energy: 0.6498989861858921
Energy: 0.9560742851706658
Energy: 0.649898986185487
Energy: 0.9560742851726912
Energy: 0.649898986185487
Energy: 0.7746724613265893
Energy: 0.6368947015939004
Energy: 0.7746724613265893
Energy: 0.6368947015939004
Energy: 0.7746724613265893
Energy: 0.6368947015939004
Energy: 0.714915938951725
Energy: 0.6836728498237149
Energy: 0.71491593895132
Energy: 0.6836728498257401
Energy: 0.714915938951725
Energy: 0.6836728498241199
Energy: 0.7585069591975561
Energy: 0.6876994369448163
Energy: 0.7585069592020116
Energy: 0.6876994369444112
Energy: 0.7585069591943159
Energy: 0.6876994369444112
Energy: 0.9222868419869197
Energy: 0.6334727319770079
Energy: 0.9222868419873248
Energy: 0.633472731977818
Energy: 0.9222868419869197
Energy: 0.633472731977818
Energy: 0.6963132677839059
Energy: 0.6376022125394193
Energy: 0.6963132677839059
Energy: 0.6376022125386093
Energy: 0.6963132677843109
Energy: 0.6376022125390143
Energy: 0.6590793498402296
Energy: 0.662215528754439
Energy: 0.6590793498402296
Energy: 0.662215528753629
Energy: 0.6590793498394195
Energy: 0.662215528754439
Energy: 0.8330993887722918
Energy: 0.8167400558514416
Energy: 0.8330993887726967
Energy: 0.8167400558514416
Energy: 0.8330993887726967
Energy: 0.8167400558518466
Energy: 0.6780215670134137
Energy: 0.6917801160038624
Energy: 0.6780215670105786
Energy: 0.6917801160014323
Energy: 0.6780215670105786
Energy: 0.6917801160026472
Energy: 0.6572806851927393
Energy: 0.5986914915758418
Energy: 0.6572806851927393
Energy: 0.5986914915758418
Energy: 0.6572806851919292
Energy: 0.5986914915758418
Energy: 0.7557250937872988
Energy: 0.7826580387273229
Energy: 0.7557250937881088
Energy: 0.7826580387273229
Energy: 0.7557250937885138
Energy: 0.7826580387273229
Energy: 0.7152113898646091
Energy: 0.788329453146672
Energy: 0.7152113898650142
Energy: 0.788329453145862
Energy: 0.7152113898654192
Energy: 0.7883294531462671
Energy: 0.6682671846127597
Energy: 0.6725043810329833
Energy: 0.6682671846103294
Energy: 0.6725043810333883
Energy: 0.6682671846123546
Energy: 0.6725043810333883
Energy: 0.672449252158612
Energy: 0.733267347002259
Energy: 0.672449252158612
Energy: 0.733267347002259
Energy: 0.6724492521582068
Energy: 0.7332673470026642
Energy: 0.6858120326522064
Energy: 0.7894548488051896
Energy: 0.6858120326522064
Energy: 0.7894548488039745
Energy: 0.6858120326522064
Energy: 0.7894548488043795
Energy: 0.6107963833382353
Energy: 0.7926901859569918
Energy: 0.6107963833394503
Energy: 0.8129839975985416
Energy: 0.6107963833341848
Energy: 0.7672508046288486
Energy: 0.6720847029663918
Energy: 0.686903849326796
Energy: 0.6720847029667968
Energy: 0.686903849326391
Energy: 0.6720847029659868
Energy: 0.686903849326391
Energy: 0.7012958324790585
Energy: 0.838326945448327
Energy: 0.7012958324790585
Energy: 0.838326945448327
Energy: 0.7012958324790585
Energy: 0.838326945448327
Energy: 0.671777081882173
Energy: 0.9316069913430741
Energy: 0.6717770818833881
Energy: 0.9316069913426692
Energy: 0.6717770818833881
Energy: 0.9316069913430741
Energy: 0.6711485211694888
Energy: 0.7472337056911779
Energy: 0.6711485211690837
Energy: 0.7472337056911779
Energy: 0.6711485211690837
Energy: 0.7610185898590451
Energy: 0.6717938709174814
Energy: 0.931829109546651
Energy: 0.6717938709182915
Energy: 0.931829109546246
Energy: 0.6717938709182915
Energy: 0.931829109546246
Energy: 0.7013775481135367
Energy: 0.8383288802133695
Energy: 0.7013775481139418
Energy: 0.8383288802137745
Energy: 0.7013775481135367
Energy: 0.8383288802133695
Energy: 0.6720308736491111
Energy: 0.6868623218581594
Energy: 0.6720308736487061
Energy: 0.6868623218581594
Energy: 0.6720308736487061
Energy: 0.6868623218585646
Energy: 0.6107659280165858
Energy: 0.72289484860336
Energy: 0.6107659280157757
Energy: 0.72289484860417
Energy: 0.6107659280161807
Energy: 0.7228948486037649
Energy: 0.6856755969607792
Energy: 0.7906172420393736
Energy: 0.6856755969611842
Energy: 0.7906172420409937
Energy: 0.6856755969607792
Energy: 0.7906172420397785
Energy: 0.672467495604008
Energy: 0.7333107976272352
Energy: 0.6724674956031981
Energy: 0.7333107976272352
Energy: 0.6724674956036031
Energy: 0.7333107976268302
Energy: 0.6681804612687674
Energy: 0.6726728235563328
Energy: 0.6681804612683623
Energy: 0.6726728235567379
Energy: 0.6681804612683623
Energy: 0.6726728235563328
Energy: 0.7149805808713644
Energy: 0.7882863275457155
Energy: 0.7149805808705544
Energy: 0.7882863275449054
Energy: 0.7149805808713644
Energy: 0.7882863275461205
Energy: 0.7560790705082614
Energy: 0.7824834435657201
Energy: 0.7560790705082614
Energy: 0.7824834435657201
Energy: 0.7560790705082614
Energy: 0.7824834435657201
Energy: 0.6573540891802109
Energy: 0.5986079990343629
Energy: 0.6573540891802109
Energy: 0.5986079990347679
Energy: 0.6573540891806159
Energy: 0.5986079990339578
Energy: 0.6779425081355389
Energy: 0.6917640195103305
Energy: 0.677942508137969
Energy: 0.6917640195099255
Energy: 0.6779425081359438
Energy: 0.6917640195099255
Energy: 0.8331188048508537
Energy: 0.8165925403131068
Energy: 0.8331188048508537
Energy: 0.8165925403131068
Energy: 0.8331188048508537
Energy: 0.8165925403127017
Energy: 0.6589219060280959
Energy: 0.6623905142391394
Energy: 0.658921906028501
Energy: 0.6623905142387343
Energy: 0.658921906029311
Energy: 0.6623905142391394
Energy: 0.6963349597780361
Energy: 0.6378030216109013
Energy: 0.6963349597780361
Energy: 0.6378030216100913
Energy: 0.6963349597780361
Energy: 0.6378030216096863
Energy: 0.9223104025514881
Energy: 0.633194252937433
Energy: 0.9223104025514881
Energy: 0.6331942529390532
Energy: 0.922310402551083
Energy: 0.633194252937838
Energy: 0.7573850625947419
Energy: 0.7032301967089425
Energy: 0.7573850625943369
Energy: 0.7032301967093475
Energy: 0.7573850625939318
Energy: 0.7032301967097525
Energy: 0.7148624294063369
Energy: 0.6834223764919204
Energy: 0.7148624294059318
Energy: 0.6834223764923254
Energy: 0.7148624294059318
Energy: 0.6834223764915153
Energy: 0.7747182954736345
Energy: 0.6369109846337244
Energy: 0.7747182954740395
Energy: 0.6369109846333194
Energy: 0.7747182954736345
Energy: 0.6369109846341295
Energy: 0.9560742851718811
Energy: 0.6498989861858921
Energy: 0.9560742851730962
Energy: 0.6498989861858921
Energy: 0.956074285171476
Energy: 0.6498989861858921
Energy: 0.7746724613269943
Energy: 0.6810194580201869
Energy: 0.7746724613269943
Energy: 0.6810194580209971
Energy: 0.7746724613269943
Energy: 0.6810194580173886
Energy: 0.714915938951725
Energy: 0.6836728498241199
Energy: 0.714915938951725
Energy: 0.6836728498245249
Energy: 0.71491593895132
Energy: 0.6836728498245249
Energy: 0.7585069592003914
Energy: 0.6876994369440061
Energy: 0.758506959196746
Energy: 0.6876994369440061
Energy: 0.7585069592032266
Energy: 0.6876994369436011
Energy: 0.9222868419869197
Energy: 0.6334727319761978
Energy: 0.9222868419869197
Energy: 0.6334727319761978
Energy: 0.9222868419869197
Energy: 0.6334727319761978

minimum gb energy = 0.5986079990339578 eV
minimum distance =  2.35434221799406 Angstroms
sigma value = 57


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

Energy: 0.9166334829046249
Energy: 0.6015361911826911
Energy: 0.9166334829046249
Energy: 0.6015361911826911
Energy: 0.9166334829046249
Energy: 0.6015361911833507
Energy: 0.7013771303252263
Energy: 0.5930466054589043
Energy: 0.7013771303252263
Energy: 0.5930466054589043
Energy: 0.7013771303252263
Energy: 0.5930466054595638
Energy: 0.665708411542457
Energy: 0.6796248614645468
Energy: 0.6657084115417975
Energy: 0.6796248614645468
Energy: 0.665708411542457
Energy: 0.6796248614645468
Energy: 0.8032153855232492
Energy: 0.659042564037918
Energy: 0.8032153855225895
Energy: 0.6590425640385774
Energy: 0.8032153855225895
Energy: 0.659042564037918
Energy: 0.8382538684299297
Energy: 0.5617516152033135
Energy: 0.8382538684299297
Energy: 0.5617516152006755
Energy: 0.8382538684292702
Energy: 0.5617516152019946
Energy: 0.6562705447172795
Energy: 0.5927053693060741
Energy: 0.6562705447172795
Energy: 0.592705369304755
Energy: 0.6562705447172795
Energy: 0.592705369304755
Energy: 0.7714903962470527
Energy: 0.6373544782637436
Energy: 0.7714903962470527
Energy: 0.6373544782644031
Energy: 0.7714903962477123
Energy: 0.6373544782637436
Energy: 0.757049063342747
Energy: 0.7444209566635887
Energy: 0.757049063342747
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Energy: 0.757049063342747
Energy: 0.7444209566635887
Energy: 0.7112588266248612
Energy: 0.5940449447307037
Energy: 0.7112588266248612
Energy: 0.5940449447287253
Energy: 0.7112588266242017
Energy: 0.5940449447293847
Energy: 0.6066766128151864
Energy: 0.6111198048041545
Energy: 0.6066766128165053
Energy: 0.611119804804814
Energy: 0.6066766128158458
Energy: 0.611119804804814
Energy: 0.7714494570671956
Energy: 0.7653380819463871
Energy: 0.7714494570671956
Energy: 0.7653380819463871
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Energy: 0.7653380819463871
Energy: 0.6269238822886559
Energy: 0.66846522953582
Energy: 0.6269238822893154
Energy: 0.6684652295338416
Energy: 0.6269238822886559
Energy: 0.668465229534501
Energy: 0.604808426667686
Energy: 0.6952681569584738
Energy: 0.604808426667686
Energy: 0.6952681569584738
Energy: 0.6048084266670265
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Energy: 0.6051645093137317
Energy: 0.7262987801471764
Energy: 0.6051645093137317
Energy: 0.7262987801458575
Energy: 0.6051645093130722
Energy: 0.7262987801465169
Energy: 0.6577924795873075
Energy: 0.8271679997606765
Energy: 0.6577924795866479
Energy: 0.8271679997606765
Energy: 0.6577924795866479
Energy: 0.8271679997606765
Energy: 0.6197804323210622
Energy: 0.6801793469046081
Energy: 0.6197804323210622
Energy: 0.6801793469032891
Energy: 0.6197804323204027
Energy: 0.6801793469059271
Energy: 0.6162925685638306
Energy: 0.6829591157082968
Energy: 0.6162925685658093
Energy: 0.6829591157076372
Energy: 0.6162925685638306
Energy: 0.6829591157082968
Energy: 0.7083437932719993
Energy: 0.7544197948889948
Energy: 0.7083437932719993
Energy: 0.7544197948916328
Energy: 0.7083437932719993
Energy: 0.7544197948903139
Energy: 0.602781423112599
Energy: 0.7170717440769848
Energy: 0.6027814231132584
Energy: 0.7170717440769848
Energy: 0.602781423112599
Energy: 0.7170717440776443
Energy: 0.6040614264219926
Energy: 0.6551617389952987
Energy: 0.604061426422652
Energy: 0.6551617389966177
Energy: 0.6040614264219926
Energy: 0.6551617389959582
Energy: 0.6478418119292383
Energy: 0.807536063293631
Energy: 0.6478418119292383
Energy: 0.8075360632929716
Energy: 0.6478418119292383
Energy: 0.8075360632929716
Energy: 0.5650564973559306
Energy: 0.8484146706940972
Energy: 0.56505649735659
Energy: 0.8484146706940972
Energy: 0.56505649735659
Energy: 0.8484146706940972
Energy: 0.6204498374932691
Energy: 0.626912146965272
Energy: 0.6204498374932691
Energy: 0.626912146965272
Energy: 0.6204498374932691
Energy: 0.626912146965272
Energy: 0.6164555051848434
Energy: 0.7187727459049696
Energy: 0.6164555051848434
Energy: 0.7187727459089266
Energy: 0.6164555051841839
Energy: 0.7187727459076075
Energy: 0.6211200211435782
Energy: 0.7667883289457748
Energy: 0.6211200211442376
Energy: 0.7667883289451154
Energy: 0.6211200211442376
Energy: 0.7667883289457748
Energy: 0.6032811142890016
Energy: 0.6266109657090193
Energy: 0.6032811142890016
Energy: 0.626610965709679
Energy: 0.6032811142890016
Energy: 0.6266109657090193
Energy: 0.5745437419011142
Energy: 0.7184307734565364
Energy: 0.5745437418997953
Energy: 0.7184307734578554
Energy: 0.5745437419017737
Energy: 0.7184307734585149

minimum gb energy = 0.5617516152006755 eV
minimum distance =  2.32742236946364 Angstroms
sigma value = 43


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

Energy: 0.7340711430837115
Energy: 0.5408146628318109
Energy: 0.7340711430832308
Energy: 0.5408146628318109
Energy: 0.7340711430846725
Energy: 0.540814662832772
Energy: 0.6169340985896815
Energy: 0.6066347094920843
Energy: 0.6169340985896815
Energy: 0.6066347094920843
Energy: 0.6169340985896815
Energy: 0.6066347094925649
Energy: 0.5813856469638059
Energy: 0.6064760261821693
Energy: 0.5813856469628449
Energy: 0.6064760261816887
Energy: 0.5813856469633254
Energy: 0.6064760261816887
Energy: 0.7458629906641878
Energy: 0.5666900025559131
Energy: 0.7458629906617852
Energy: 0.5666900025559131
Energy: 0.7458629906617852
Energy: 0.5666900025554326
Energy: 0.686629092447446
Energy: 0.499918410909128
Energy: 0.6866290924479264
Energy: 0.499918410909128
Energy: 0.6866290924479264
Energy: 0.499918410909128
Energy: 0.5660341241590237
Energy: 0.5953704401685619
Energy: 0.5660341241595042
Energy: 0.5953704401680814
Energy: 0.5660341241590237
Energy: 0.5953704401685619
Energy: 0.7030796408591353
Energy: 0.6275094077743507
Energy: 0.7030796408596158
Energy: 0.6275094077743507
Energy: 0.7030796408591353
Energy: 0.6275094077743507
Energy: 0.751863361043983
Energy: 0.638655743081223
Energy: 0.751863361043983
Energy: 0.6386557430807424
Energy: 0.751863361043983
Energy: 0.6386557430807424
Energy: 0.5391209465457295
Energy: 0.5874748645253998
Energy: 0.5391209465457295
Energy: 0.5874748645253998
Energy: 0.53912094654621
Energy: 0.5874748645253998
Energy: 0.598898071698873
Energy: 0.6061162663777138
Energy: 0.5988980716993536
Energy: 0.6061162663772333
Energy: 0.598898071698873
Energy: 0.6061162663772333
Energy: 0.6629012060566816
Energy: 0.6297487910118331
Energy: 0.6629012060576425
Energy: 0.6297487910118331
Energy: 0.6629012060566816
Energy: 0.6297487910123136
Energy: 0.5101261433586174
Energy: 0.5867154509772738
Energy: 0.5101261433586174
Energy: 0.5867154509772738
Energy: 0.5101261433581369
Energy: 0.5867154509772738
Energy: 0.598789520735945
Energy: 0.5028563951667616
Energy: 0.598789520735945
Energy: 0.5028563951672422
Energy: 0.5987895207354645
Energy: 0.5028563951672422
Energy: 0.6745131781888567
Energy: 0.6266296906925642
Energy: 0.6745131781893372
Energy: 0.6266296906925642
Energy: 0.6745131781888567
Energy: 0.6266296906930447
Energy: 0.6040704194886639
Energy: 0.5866804619670885
Energy: 0.6040704194886639
Energy: 0.5866804619675688
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Energy: 0.5866804619670885
Energy: 0.6139257550835827
Energy: 0.5548422476724841
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Energy: 0.5548422476720036
Energy: 0.6139257550835827
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Energy: 0.6576353725458758
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Energy: 0.6683862094876751
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Energy: 0.5412564757406371
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Energy: 0.5412564757406371
Energy: 0.6584066629315629
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Energy: 0.5827815098281757
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Energy: 0.5827815098286562
Energy: 0.5814895931519866
Energy: 0.5827815098286562
Energy: 0.6784151647212678
Energy: 0.6788602569541915
Energy: 0.6784151647207872
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Energy: 0.6784151647217483
Energy: 0.6788602569541915
Energy: 0.571421674910043
Energy: 0.7655537706947778
Energy: 0.5714216749114847
Energy: 0.7655537706942973
Energy: 0.571421674910043
Energy: 0.7655537706938167
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Energy: 0.6181425203121018
Energy: 0.615284346624001
Energy: 0.6181425203125822
Energy: 0.6152843466235204
Energy: 0.6181425203121018
Energy: 0.6114052449311709
Energy: 0.5869856978372132
Energy: 0.6114052449311709
Energy: 0.5869856978372132
Energy: 0.611405244932132
Energy: 0.5869856978372132
Energy: 0.6070011508786815
Energy: 0.7655614731809746
Energy: 0.6070011508786815
Energy: 0.7655614731819357
Energy: 0.607001150878201
Energy: 0.7655614731809746
Energy: 0.5808985957175059
Energy: 0.6203913533163434
Energy: 0.5808985957170254
Energy: 0.620391353316824
Energy: 0.5808985957170254
Energy: 0.6203913533163434
Energy: 0.5046798400421535
Energy: 0.5726728118547413
Energy: 0.5046798400416731
Energy: 0.5726728118547413
Energy: 0.5046798400431145
Energy: 0.5726728118547413
Energy: 0.5491676194944476
Energy: 0.6696753430360538
Energy: 0.5491676194944476
Energy: 0.6696753430370149
Energy: 0.5491676194944476
Energy: 0.6696753430360538
Energy: 0.5639811992831057
Energy: 0.5748902143867795
Energy: 0.5639811992831057
Energy: 0.5748902143867795
Energy: 0.5639811992831057
Energy: 0.5748902143867795
Energy: 0.5186867627397056
Energy: 0.5373008293319758
Energy: 0.518686762740186
Energy: 0.5373008293324563
Energy: 0.5186867627397056
Energy: 0.5373008293319758
Energy: 0.6007226820430219
Energy: 0.6862987540237421
Energy: 0.6007226820430219
Energy: 0.6862987540237421
Energy: 0.6007226820435024
Energy: 0.6862987540242226
Energy: 0.5689586765179759
Energy: 0.6984960422154864
Energy: 0.5689586765179759
Energy: 0.6984960422164475
Energy: 0.5689586765174954
Energy: 0.6984960422154864
Energy: 0.5192981686582587
Energy: 0.5184128008201082
Energy: 0.5192981686582587
Energy: 0.5184128008201082
Energy: 0.5192981686587393
Energy: 0.5184128008205887
Energy: 0.5068746645955442
Energy: 0.6431149601292994
Energy: 0.5068746645950638
Energy: 0.6431149601292994
Energy: 0.5068746645941027
Energy: 0.6431149601292994
Energy: 0.6370061618600007
Energy: 0.6759441680736518
Energy: 0.6370061618600007
Energy: 0.6759441680736518
Energy: 0.6370061618600007
Energy: 0.6759441680731713
Energy: 0.5396684747102186
Energy: 0.5803010114324458
Energy: 0.5396684747106991
Energy: 0.5803010114324458
Energy: 0.5396684747116601
Energy: 0.5803010114324458
Energy: 0.469541602260326
Energy: 0.5781595461885298
Energy: 0.469541602260326
Energy: 0.5781595461880492
Energy: 0.46954160226080643
Energy: 0.5781595461880492

minimum gb energy = 0.469541602260326 eV
minimum distance =  2.32841321201158 Angstroms
sigma value = 81


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

Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.3945857855866609
Energy: 0.05132650068773499
Energy: 0.3945857855866609
Energy: 0.051326500685969494
Energy: 0.3945857855866609
Energy: 0.05132650067361104
Energy: 0.39458554998011697
Energy: 0.051358205614434035
Energy: 0.39458554998011697
Energy: 0.05135820561973053
Energy: 0.39458554998011697
Energy: 0.051358205610903054
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.3945857855866609
Energy: 0.05132650043009315
Energy: 0.3945857855866609
Energy: 0.051326500385975846
Energy: 0.3945857855866609
Energy: 0.05132650045302452
Energy: 0.39458554998011697
Energy: 0.051358205635619984
Energy: 0.39458554998011697
Energy: 0.051358205635619984
Energy: 0.39458554998011697
Energy: 0.051358205612668545
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.3945857855866609
Energy: 0.05132650050243831
Energy: 0.3945857855866609
Energy: 0.0513265005483211
Energy: 0.3945857855866609
Energy: 0.051326500511265784
Energy: 0.39458554998011697
Energy: 0.051358205600330144
Energy: 0.39458554998011697
Energy: 0.051358205609137564
Energy: 0.39458554998011697
Energy: 0.05135820557737872
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051
Energy: 0.05040962434682853
Energy: 0.08097353816071051

minimum gb energy = 0.05040962434682853 eV
minimum distance =  2.53605102379891 Angstroms
sigma value = 3


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

Energy: 0.6306792174413949
Energy: 0.5419234763134593
Energy: 0.6306792174413949
Energy: 0.5419234763134593
Energy: 0.6306792174413949
Energy: 0.5419234763134593
Energy: 0.5294229437993748
Energy: 0.5687552136055739
Energy: 0.5294229437999032
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Energy: 0.5485654167284146
Energy: 0.5699393711807256
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Energy: 0.5485654167278863
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Energy: 0.595690146165585
Energy: 0.5253329323604433
Energy: 0.5956901461650566
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Energy: 0.5518693606735815
Energy: 0.4526772239791921
Energy: 0.5518693606725249
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Energy: 0.5518693606730533
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Energy: 0.5626790455515027
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Energy: 0.562679045550446
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Energy: 0.5739700748101673
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Energy: 0.5739700748096389
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Energy: 0.4511126920313091
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Energy: 0.5536434943543384
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Energy: 0.5653719048988883
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Energy: 0.4555496189760027
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Energy: 0.5232226925675301
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Energy: 0.5468807871157764
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Energy: 0.5706859335859706
Energy: 0.5088827812821723
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Energy: 0.4554955531899452
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Energy: 0.5688091700659075
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Energy: 0.4866792387957029
Energy: 0.5537219717513718
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Energy: 0.4866792387957029
Energy: 0.5683653330048194
Energy: 0.5531383598888451
Energy: 0.568365333005876
Energy: 0.5531383598893733
Energy: 0.5683653330048194
Energy: 0.5531383598888451
Energy: 0.4818603872325254
Energy: 0.562948034356121
Energy: 0.4818603872330537
Energy: 0.562948034356121
Energy: 0.4818603872330537
Energy: 0.562948034356121
Energy: 0.5674497373706234
Energy: 0.5539110506573254
Energy: 0.5674497373706234
Energy: 0.5539110506578538
Energy: 0.5674497373706234
Energy: 0.5539110506573254

minimum gb energy = 0.44990281675083027 eV
minimum distance =  2.39058554723173 Angstroms
sigma value = 67


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

Energy: 0.7420151012427093
Energy: 0.6399942072223797
Energy: 0.7420151012427093
Energy: 0.6399942072231324
Energy: 0.7420151012419565
Energy: 0.6399942072231324
Energy: 0.6483961821774886
Energy: 0.7003137010670054
Energy: 0.6483961821774886
Energy: 0.7003137010677584
Energy: 0.6483961821782414
Energy: 0.7003137010677584
Energy: 0.683791360549768
Energy: 0.699398971393378
Energy: 0.683791360549768
Energy: 0.699398971393378
Energy: 0.683791360549768
Energy: 0.699398971393378
Energy: 0.7131268882426174
Energy: 0.6292227997384564
Energy: 0.7131268882426174
Energy: 0.6292227996330974
Energy: 0.7131268882426174
Energy: 0.6292227999641966
Energy: 0.5682667287677162
Energy: 0.6362970526577546
Energy: 0.5682667287677162
Energy: 0.6362970526577546
Energy: 0.568266728768469
Energy: 0.6362970526577546
Energy: 0.6810187145364981
Energy: 0.6906490329664035
Energy: 0.6810187145364981
Energy: 0.6906490329664035
Energy: 0.6810187145364981
Energy: 0.6906490329664035
Energy: 0.6859934470549158
Energy: 0.6194261264866332
Energy: 0.685993447054163
Energy: 0.6194261264873859
Energy: 0.685993447054163
Energy: 0.6194261264873859
Energy: 0.6204961263144827
Energy: 0.6290485565859024
Energy: 0.6204961263144827
Energy: 0.6290485565859024
Energy: 0.6204961263152357
Energy: 0.6290485565851496
Energy: 0.7033132678964026
Energy: 0.7173059626426381
Energy: 0.7033132678956499
Energy: 0.7173059626426381
Energy: 0.7033132678956499
Energy: 0.717305962643391
Energy: 0.6829183706668825
Energy: 0.5810647178394509
Energy: 0.6829183706661298
Energy: 0.5810647178394509
Energy: 0.6829183706661298
Energy: 0.5810647178394509
Energy: 0.6858273655869015
Energy: 0.6948721842511789
Energy: 0.6858273655869015
Energy: 0.694872184250426
Energy: 0.6858273655869015
Energy: 0.6948721842511789
Energy: 0.6826904387565307
Energy: 0.6749482893104891
Energy: 0.6826904387565307
Energy: 0.6749482893112421
Energy: 0.6826904387565307
Energy: 0.6749482893112421
Energy: 0.6818265160371799
Energy: 0.7442645898756962
Energy: 0.6818265160379327
Energy: 0.7442645898756962
Energy: 0.6818265160379327
Energy: 0.7442645898756962
Energy: 0.6661140650172458
Energy: 0.714253309361718
Energy: 0.6661140650172458
Energy: 0.714253309361718
Energy: 0.6661140650172458
Energy: 0.714253309361718
Energy: 0.6527691659521513
Energy: 0.647554453816402
Energy: 0.6527691659529041
Energy: 0.6475544538171548
Energy: 0.6527691659521513
Energy: 0.6475544538171548
Energy: 0.712963371966387
Energy: 0.65841485313423
Energy: 0.712963371966387
Energy: 0.65841485313423
Energy: 0.712963371966387
Energy: 0.6584148531349828
Energy: 0.6425066272812378
Energy: 0.7694448444354706
Energy: 0.6425066272812378
Energy: 0.7694448444354706
Energy: 0.6425066272819905
Energy: 0.7694448444362233
Energy: 0.6668248555285188
Energy: 0.6343314562264665
Energy: 0.6668248555285188
Energy: 0.6343314562264665
Energy: 0.6668248555292715
Energy: 0.6343314562264665
Energy: 0.7388283627987225
Energy: 0.6860663365125996
Energy: 0.7388283627994753
Energy: 0.6860663365125996
Energy: 0.7388283627987225
Energy: 0.6860663365133525
Energy: 0.5723818812007274
Energy: 0.7004471221007247
Energy: 0.572381881202233
Energy: 0.7004471221007247
Energy: 0.5723818812014801
Energy: 0.7004471221007247
Energy: 0.7021474106312299
Energy: 0.6390917334772467
Energy: 0.702147410630477
Energy: 0.6390917334772467
Energy: 0.7021474106312299
Energy: 0.6390917334772467
Energy: 0.7122880639643105
Energy: 0.7184701064767981
Energy: 0.7122880639628049
Energy: 0.7184701064767981
Energy: 0.7122880639628049
Energy: 0.7184701064767981
Energy: 0.6090946285232709
Energy: 0.6995203526152066
Energy: 0.6090946285232709
Energy: 0.6995203526152066
Energy: 0.6090946285240236
Energy: 0.6995203526152066

minimum gb energy = 0.5682667287677162 eV
minimum distance =  2.38372659056137 Angstroms
sigma value = 33


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

Energy: 0.8279530362592258
Energy: 0.7025315863300918
Energy: 0.8279530362597034
Energy: 0.7025315863300918
Energy: 0.8279530362597034
Energy: 0.7025315863296144
Energy: 0.7279187615396407
Energy: 0.7755332574814665
Energy: 0.7279187615396407
Energy: 0.7755332574814665
Energy: 0.7279187615396407
Energy: 0.7755332574814665
Energy: 0.7726953942879756
Energy: 0.774480508708888
Energy: 0.7726953942879756
Energy: 0.774480508708888
Energy: 0.7726953942879756
Energy: 0.7744805087084103
Energy: 0.788397552728193
Energy: 0.7105935394171589
Energy: 0.7883975527286705
Energy: 0.7105935394185914
Energy: 0.7883975527277155
Energy: 0.7105935394176365
Energy: 0.6672477347641699
Energy: 0.7287620187664451
Energy: 0.6672477347622596
Energy: 0.7287620187669227
Energy: 0.6672477347636923
Energy: 0.7287620187659676
Energy: 0.8127726766326548
Energy: 0.7736708322098669
Energy: 0.8127726766326548
Energy: 0.7736708322093894
Energy: 0.8127726766321772
Energy: 0.7736708322093894
Energy: 0.722609151451491
Energy: 0.69233997844528
Energy: 0.7226091514510133
Energy: 0.6923399784448023
Energy: 0.7226091514505357
Energy: 0.69233997844528
Energy: 0.7677993914875307
Energy: 0.7749499982074731
Energy: 0.7677993914870532
Energy: 0.7749499982074731
Energy: 0.7677993914865757
Energy: 0.7749499982074731
Energy: 0.7627352459360128
Energy: 0.7668185488977677
Energy: 0.7627352459360128
Energy: 0.7668185488982451
Energy: 0.7627352459355353
Energy: 0.7668185488977677
Energy: 0.8160756108787997
Energy: 0.6951574892901617
Energy: 0.8160756108792773
Energy: 0.6951574892872964
Energy: 0.8160756108787997
Energy: 0.6951574892939824
Energy: 0.7603968981895656
Energy: 0.7919737812250276
Energy: 0.760396898189088
Energy: 0.7919737812250276
Energy: 0.7603968981895656
Energy: 0.79197378122455
Energy: 0.7300292743581532
Energy: 0.7276802239368827
Energy: 0.7300292743581532
Energy: 0.7276802239368827
Energy: 0.7300292743576758
Energy: 0.7276802239368827
Energy: 0.818421190110926
Energy: 0.7321386049495392
Energy: 0.818421190110926
Energy: 0.7321386049495392
Energy: 0.818421190110926
Energy: 0.7321386049495392
Energy: 0.723767968889269
Energy: 0.7775127350394955
Energy: 0.7237679688887914
Energy: 0.7775127350394955
Energy: 0.723767968889269
Energy: 0.7775127350394955
Energy: 0.7551775015304372
Energy: 0.7418431028485717
Energy: 0.7551775015313924
Energy: 0.7418431028480941
Energy: 0.7551775015304372
Energy: 0.7418431028485717
Energy: 0.7892338435813544
Energy: 0.769980732252006
Energy: 0.7892338435818319
Energy: 0.7699807322515284
Energy: 0.7892338435818319
Energy: 0.769980732252006
Energy: 0.6596689530437632
Energy: 0.7751323189640259
Energy: 0.6596689530432855
Energy: 0.7751323189645034
Energy: 0.6596689530437632
Energy: 0.7751323189645034
Energy: 0.789881592742357
Energy: 0.8052363657860088
Energy: 0.789881592742357
Energy: 0.8052363657864864
Energy: 0.789881592742357
Energy: 0.8052363657860088
Energy: 0.7291770222287316
Energy: 0.8302670485403845
Energy: 0.729177022228254
Energy: 0.8302670485408621
Energy: 0.7291770222287316
Energy: 0.8302670485408621
Energy: 0.7031614528316852
Energy: 0.7759428528553229
Energy: 0.7031614528307301
Energy: 0.7759428528558004
Energy: 0.7031614528312076
Energy: 0.7759428528543677
Energy: 0.7868159842313763
Energy: 0.7686790727958778
Energy: 0.7868159842313763
Energy: 0.7686790727958778
Energy: 0.786815984231854
Energy: 0.7686790727963554
Energy: 0.7515563150816145
Energy: 0.7143127059370316
Energy: 0.7515563150806593
Energy: 0.7143127059375092
Energy: 0.7515563150816145
Energy: 0.7143127059375092
Energy: 0.7085056612580547
Energy: 0.7920005212439903
Energy: 0.7085056612590098
Energy: 0.7920005212435128
Energy: 0.7085056612585322
Energy: 0.7920005212439903
Energy: 0.8151375248913947
Energy: 0.7255174293443442
Energy: 0.8151375248909171
Energy: 0.7255174293438665
Energy: 0.8151375248909171
Energy: 0.7255174293433889
Energy: 0.7293327055721264
Energy: 0.7295164904195336
Energy: 0.7293327055711712
Energy: 0.7295164904195336
Energy: 0.7293327055711712
Energy: 0.7295164904195336
Energy: 0.7282868593617872
Energy: 0.788441348961729
Energy: 0.7282868593622648
Energy: 0.7884413489607739
Energy: 0.7282868593622648
Energy: 0.788441348961729
Energy: 0.7280585685785164
Energy: 0.6491488237438455
Energy: 0.728058568578039
Energy: 0.6491488237443231
Energy: 0.728058568578039
Energy: 0.6491488237443231
Energy: 0.784831450516014
Energy: 0.8010345414606406
Energy: 0.7848314505150589
Energy: 0.8010345414611181
Energy: 0.7848314505150589
Energy: 0.8010345414606406
Energy: 0.702846023134454
Energy: 0.7901508266321086
Energy: 0.7028460231325439
Energy: 0.7901508266316309
Energy: 0.7028460231358867
Energy: 0.7901508266311533
Energy: 0.7235843707891777
Energy: 0.6886193713027156
Energy: 0.7235843707896553
Energy: 0.688619371302238
Energy: 0.7235843707901329
Energy: 0.688619371302238
Energy: 0.8141379804207306
Energy: 0.8041900114799221
Energy: 0.8141379804202531
Energy: 0.8041900114808771
Energy: 0.8141379804207306
Energy: 0.8041900114803995
Energy: 0.6678362267500381
Energy: 0.7756725686259328
Energy: 0.6678362267495604
Energy: 0.7756725686264103
Energy: 0.6678362267495604
Energy: 0.7756725686259328
Energy: 0.7871870104826556
Energy: 0.7679630889089877
Energy: 0.7871870104831332
Energy: 0.7679630889085102
Energy: 0.7871870104831332
Energy: 0.7679630889085102
Energy: 0.7532915877128487
Energy: 0.7425955967120581
Energy: 0.7532915877128487
Energy: 0.7425955967115805
Energy: 0.7532915877128487
Energy: 0.7425955967120581
Energy: 0.7251885399541621
Energy: 0.7746340102081312
Energy: 0.7251885399541621
Energy: 0.7746340102081312
Energy: 0.7251885399541621
Energy: 0.7746340102081312
Energy: 0.8290108070926583
Energy: 0.7043679650062001
Energy: 0.8290108070921808
Energy: 0.7043679650062001
Energy: 0.8290108070926583
Energy: 0.7043679650057225
Energy: 0.7283399682339621
Energy: 0.7464063962184723
Energy: 0.7283399682339621
Energy: 0.7464063962184723
Energy: 0.7283399682344396
Energy: 0.7464063962179946

minimum gb energy = 0.6491488237438455 eV
minimum distance =  2.33977663274255 Angstroms
sigma value = 41


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

Energy: 0.9464022795994217
Energy: 0.8325837511414708
Energy: 0.9464022795994217
Energy: 0.8325837511414708
Energy: 0.9464022795994217
Energy: 0.8325837511414708
Energy: 0.8238084039942397
Energy: 0.8763487780276616
Energy: 0.8238084039942397
Energy: 0.8763487780276616
Energy: 0.8238084039942397
Energy: 0.8763487780276616
Energy: 0.8612266101674209
Energy: 0.8716923973589057
Energy: 0.8612266101687248
Energy: 0.8716923973589057
Energy: 0.8612266101687248
Energy: 0.8716923973589057
Energy: 0.9501112521939045
Energy: 0.8319225916130866
Energy: 0.9501112521939045
Energy: 0.8319225916130866
Energy: 0.9501112521939045
Energy: 0.8319225916130866
Energy: 0.8054518652243442
Energy: 0.9096622165718163
Energy: 0.8054518652243442
Energy: 0.9096622165718163
Energy: 0.8054518652230404
Energy: 0.9096622165718163
Energy: 0.9569634227674831
Energy: 0.8816595800332543
Energy: 0.9569634227661791
Energy: 0.8816595800319504
Energy: 0.9569634227661791
Energy: 0.8816595800332543
Energy: 0.9081958732710771
Energy: 0.8377264766461173
Energy: 0.9081958732710771
Energy: 0.8377264766461173
Energy: 0.9081958732710771
Energy: 0.8377264766461173
Energy: 0.893057612189762
Energy: 0.8977481547998196
Energy: 0.893057612189762
Energy: 0.8977481548011234
Energy: 0.893057612189762
Energy: 0.8977481547998196
Energy: 0.8250261020893581
Energy: 0.852960075263781
Energy: 0.8250261020893581
Energy: 0.852960075263781
Energy: 0.8250261020906617
Energy: 0.852960075263781
Energy: 0.929936289725506
Energy: 0.8435715735309232
Energy: 0.929936289725506
Energy: 0.8435715735309232
Energy: 0.929936289725506
Energy: 0.8435715735309232
Energy: 0.8250969744027997
Energy: 0.8714469956185547
Energy: 0.8250969744027997
Energy: 0.8714469956185547
Energy: 0.8250969744027997
Energy: 0.8714469956185547
Energy: 0.8669615303015598
Energy: 0.8856324474213285
Energy: 0.8669615303015598
Energy: 0.8856324474213285
Energy: 0.8669615303015598
Energy: 0.8856324474213285
Energy: 0.8947511915205699
Energy: 0.878267635979486
Energy: 0.8947511915205699
Energy: 0.878267635979486
Energy: 0.8947511915205699
Energy: 0.87826763598079
Energy: 0.8059561858763095
Energy: 0.8983777852221266
Energy: 0.8059561858763095
Energy: 0.8983777852221266
Energy: 0.8059561858763095
Energy: 0.8983777852221266

minimum gb energy = 0.8054518652230404 eV
minimum distance =  2.28518707831139 Angstroms
sigma value = 11


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

Energy: 1.0161907378854278
Energy: 0.9456169191927213
Energy: 1.0161907378848551
Energy: 0.9456169191921484
Energy: 1.0161907378854278
Energy: 0.9456169191927213
Energy: 0.8898904883882469
Energy: 0.9459064548746935
Energy: 0.8898904883882469
Energy: 0.9459064548746935
Energy: 0.8898904883882469
Energy: 0.9459064548746935
Energy: 0.9794739491394779
Energy: 0.9482596361219255
Energy: 0.9794739491394779
Energy: 0.9482596361224984
Energy: 0.9794739491389052
Energy: 0.9482596361224984
Energy: 0.9667525641322084
Energy: 0.8748000705854629
Energy: 0.9667525641322084
Energy: 0.8748000705854629
Energy: 0.9667525641322084
Energy: 0.8748000705854629
Energy: 0.958439508685652
Energy: 0.9190745106001372
Energy: 0.9584395086850791
Energy: 0.9190745106001372
Energy: 0.958439508685652
Energy: 0.9190745106001372
Energy: 0.9141671125706374
Energy: 0.956923310400328
Energy: 0.9141671125712102
Energy: 0.9569233103997552
Energy: 0.9141671125700644
Energy: 0.9569233103997552
Energy: 0.9566186143699505
Energy: 0.9043912444526282
Energy: 0.9566186143699505
Energy: 0.904391244453201
Energy: 0.9566186143705234
Energy: 0.9043912444526282
Energy: 0.9079220894746151
Energy: 0.9554429352739143
Energy: 0.907922089475188
Energy: 0.9554429352739143
Energy: 0.907922089475188
Energy: 0.9554429352739143
Energy: 0.928900756234271
Energy: 0.9397812689181316
Energy: 0.928900756234271
Energy: 0.9397812689181316
Energy: 0.9487024401233224
Energy: 0.9397812689181316
Energy: 0.9248210617095539
Energy: 0.9079766265883034
Energy: 0.9248210617095539
Energy: 0.9079766265883034
Energy: 0.9248210617095539
Energy: 0.9079766265883034
Energy: 0.8822813064034263
Energy: 0.9481575298316101
Energy: 0.8822813064034263
Energy: 0.9481575298316101
Energy: 0.8822813064034263
Energy: 0.9481575298316101
Energy: 0.9482649670932215
Energy: 0.9593813788464535
Energy: 0.9482649670932215
Energy: 0.9593813788464535
Energy: 0.9482649670932215
Energy: 0.9593813788464535
Energy: 0.9637978592781735
Energy: 0.9086006435079786
Energy: 0.9637978592781735
Energy: 0.9086006435079786
Energy: 0.9637978592781735
Energy: 0.9086006435079786
Energy: 0.9553369824710448
Energy: 0.9910187715657519
Energy: 0.9553369824710448
Energy: 0.9910187715657519
Energy: 0.9553369824710448
Energy: 0.9910187715651791
Energy: 0.8855943005605921
Energy: 0.9313842815981701
Energy: 0.8855943005605921
Energy: 0.9313842815987431
Energy: 0.8855943005605921
Energy: 0.9313842815981701
Energy: 0.9585791671730864
Energy: 0.9094912475949346
Energy: 0.9585791671730864
Energy: 0.9094912475949346
Energy: 0.9585791671730864
Energy: 0.9094912475955074
Energy: 0.8948760831552768
Energy: 0.9523335620493618
Energy: 0.8948760831552768
Energy: 0.9523335620493618
Energy: 0.8948760831552768
Energy: 0.9523335620487889
Energy: 0.9526378356141331
Energy: 0.9737740540366772
Energy: 0.9526378356141331
Energy: 0.9737740540366772
Energy: 0.9526378356141331
Energy: 0.9737740540366772
Energy: 0.9170023942117445
Energy: 0.8907095055420674
Energy: 0.9170023942117445
Energy: 0.8907095055414946
Energy: 0.9170023942117445
Energy: 0.8907095055420674
Energy: 0.9317631678591962
Energy: 0.9427598875586625
Energy: 0.9317631678591962
Energy: 0.9427598875586625
Energy: 0.9317631678597692
Energy: 0.9427598875586625
Energy: 0.9011729719268582
Energy: 0.9110373049618191
Energy: 0.9011729719268582
Energy: 0.9110373049623919
Energy: 0.9011729719268582
Energy: 0.9110373049618191
Energy: 1.0170647679975016
Energy: 0.9519810224087313
Energy: 1.0170647679975016
Energy: 0.9519810224087313
Energy: 1.0170647679980744
Energy: 0.951981022409304
Energy: 0.9150941735743539
Energy: 0.9485757797194274
Energy: 0.9150941735743539
Energy: 0.9485757797194274
Energy: 0.9294973787860813
Energy: 0.9485757797194274
Energy: 0.950123896017184
Energy: 0.946311296260695
Energy: 0.950123896017184
Energy: 0.946311296260695
Energy: 0.950123896017184
Energy: 0.946311296260695
Energy: 0.9319832619805483
Energy: 0.9400898789222052
Energy: 0.9319832619805483
Energy: 0.9400898789222052
Energy: 0.9319832619805483
Energy: 0.9400898789222052
Energy: 0.8836370643101751
Energy: 0.9464413887333448
Energy: 0.8836370643101751
Energy: 0.9464413887333448
Energy: 0.8836370643101751
Energy: 0.9464413887333448
Energy: 0.9358794799277917
Energy: 0.9748510374272726
Energy: 0.9358794799277917
Energy: 0.9748510374272726
Energy: 0.9358794799277917
Energy: 0.9748510374272726
Energy: 0.9692148752640442
Energy: 0.9114856503724738
Energy: 0.9692148752646169
Energy: 0.9114856503724738
Energy: 0.9692148752640442
Energy: 0.9114856503724738
Energy: 0.9255059066812713
Energy: 0.9870539405374169
Energy: 0.9255059066812713
Energy: 0.9870539405374169
Energy: 0.9255059066812713
Energy: 0.9870539405379897
Energy: 0.9186840444095806
Energy: 0.8828368566638698
Energy: 0.9186840444095806
Energy: 0.8828368566644427
Energy: 0.9186840444095806
Energy: 0.8828368566644427
Energy: 0.9234002817265439
Energy: 0.9698872549259996
Energy: 0.9234002817253981
Energy: 0.9698872549259996
Energy: 0.9234002817253981
Energy: 0.9698872549259996

minimum gb energy = 0.8748000705854629 eV
minimum distance =  2.27654093309625 Angstroms
sigma value = 57


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

Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8719467779041894
Energy: 0.8470940624833173
Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8725109023693093
Energy: 0.886949855513152
Energy: 0.8725109023693093
Energy: 0.886949855513152
Energy: 0.8725109023693093
Energy: 0.886949855513152
Energy: 0.9145688339840752
Energy: 0.8861933261392763
Energy: 0.9145688339850945
Energy: 0.8861933261392763
Energy: 0.9145688339850945
Energy: 0.8861933261392763
Energy: 0.8829035166414664
Energy: 0.9538300432919384
Energy: 0.8829035166414664
Energy: 0.9538300432919384
Energy: 0.8829035166414664
Energy: 1.0263039245664283
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.8721230490437316
Energy: 0.8868252151152511
Energy: 0.8721230490427123
Energy: 0.8868252151152511
Energy: 0.8721230490437316
Energy: 0.8868252151152511
Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8725109023693093
Energy: 0.886949855513152
Energy: 0.8725109023703286
Energy: 0.886949855513152
Energy: 0.8725109023693093
Energy: 0.886949855513152
Energy: 0.9145688339850945
Energy: 0.8861933261392763
Energy: 0.9145688339850945
Energy: 0.8861933261392763
Energy: 0.9145688339840752
Energy: 0.8861933261402954
Energy: 0.8829035166414664
Energy: 0.9612945111653758
Energy: 0.8829035166414664
Energy: 0.9612945111653758
Energy: 0.8829035166414664
Energy: 0.9876571613029249
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.8721230490447509
Energy: 0.8868252151152511
Energy: 0.8721230490447509
Energy: 0.8868252151152511
Energy: 0.8721230490437316
Energy: 0.8868252151152511
Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8719467779041894
Energy: 0.8470940624833173
Energy: 0.8719467779041894
Energy: 0.8470940624843365
Energy: 0.8725109023693093
Energy: 0.8869498555141715
Energy: 0.8725109023682899
Energy: 0.8869498555141715
Energy: 0.8725109023682899
Energy: 0.886949855513152
Energy: 0.9145688339850945
Energy: 0.8861933261392763
Energy: 0.9145688339850945
Energy: 0.8861933261392763
Energy: 0.9145688339850945
Energy: 0.8861933261402954
Energy: 0.8829035166414664
Energy: 0.9253749413897427
Energy: 0.8829035166414664
Energy: 0.9806999347113492
Energy: 0.8829035166414664
Energy: 0.8796989466831882
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.9145678386858288
Energy: 0.8862041347788042
Energy: 0.9145678386858288
Energy: 0.8862041347788042

minimum gb energy = 0.8470940624833173 eV
minimum distance =  2.3159046387146 Angstroms
sigma value = 9


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

Energy: 0.9816177898490274
Energy: 0.8894932984751222
Energy: 0.9816177898490274
Energy: 0.8894932984751222
Energy: 0.9816177898490274
Energy: 0.8894932984759545
Energy: 0.9215088210385877
Energy: 0.9067092508061395
Energy: 0.9215088210385877
Energy: 0.9067092508061395
Energy: 0.9215088210385877
Energy: 0.9067092508061395
Energy: 0.9072348368566072
Energy: 0.9358113362927825
Energy: 0.9072348368566072
Energy: 0.9358113362927825
Energy: 0.9072348368574396
Energy: 0.9358113362927825
Energy: 0.9088064858423756
Energy: 0.9660966450429372
Energy: 0.9088064858432079
Energy: 0.9660966450429372
Energy: 0.9088064858423756
Energy: 0.9660966450429372
Energy: 0.9023427508929099
Energy: 0.8873109534283538
Energy: 0.9023427508929099
Energy: 0.8873109534283538
Energy: 0.9023427508929099
Energy: 0.8873109534283538
Energy: 0.9034704701216
Energy: 0.955205550970507
Energy: 0.9034704701224323
Energy: 0.9552055509713391
Energy: 0.9034704701224323
Energy: 0.955205550970507
Energy: 0.9351504013374139
Energy: 0.9446181198990282
Energy: 0.9351504013374139
Energy: 0.9446181198990282
Energy: 0.9351504013374139
Energy: 0.9446181198990282
Energy: 0.9181763943069805
Energy: 0.9602373421040772
Energy: 0.9181763943069805
Energy: 0.9602373421040772
Energy: 0.9181763943069805
Energy: 0.9602373421032449
Energy: 0.963767404413609
Energy: 0.8998523209774556
Energy: 0.9637674044127765
Energy: 0.8998523209774556
Energy: 0.9637674044127765
Energy: 0.8998523209774556
Energy: 0.9117556166583326
Energy: 0.9112448190309812
Energy: 0.9117556166583326
Energy: 0.911244819030149
Energy: 0.9117556166583326
Energy: 0.9112448190309812
Energy: 0.8877737105977472
Energy: 0.9227273755370817
Energy: 0.8877737105977472
Energy: 0.9227273755362494
Energy: 0.8877737105977472
Energy: 0.9227273755370817
Energy: 0.9544328241638962
Energy: 0.9530697437440263
Energy: 0.9544328241647283
Energy: 0.9530697437440263
Energy: 0.9544328241638962
Energy: 0.9530697437440263
Energy: 0.9143485149709686
Energy: 0.9354989553740857
Energy: 0.9143485149709686
Energy: 0.9354989553732536
Energy: 0.9143485149709686
Energy: 0.9354989553740857
Energy: 0.9151535326813556
Energy: 0.9085874880102929
Energy: 0.9151535326813556
Energy: 0.9085874880102929
Energy: 0.9151535326813556
Energy: 0.9085874880102929
Energy: 0.943922655685683
Energy: 0.9220610769415585
Energy: 0.9439226556848508
Energy: 0.9220610769415585
Energy: 0.9437408549250039
Energy: 0.9220610769415585
Energy: 0.9892062704639059
Energy: 0.9064981530661034
Energy: 0.9892062704639059
Energy: 0.9064981530661034
Energy: 0.9892062704639059
Energy: 0.906498153065271
Energy: 0.9078817468029606
Energy: 0.9071689798506998
Energy: 0.9078817468037927
Energy: 0.9071689798515321
Energy: 0.9078817468029606
Energy: 0.9071689798506998
Energy: 0.9339646529146729
Energy: 0.9234436610109185
Energy: 0.9339646529138406
Energy: 0.9234436610117508
Energy: 0.9339646529146729
Energy: 0.9234436610117508
Energy: 0.9237644589979828
Energy: 0.9104559183206735
Energy: 0.9237644589971507
Energy: 0.9104559183215059
Energy: 0.9237644589971507
Energy: 0.9104559183206735
Energy: 0.9100102304590086
Energy: 0.8869899329960005
Energy: 0.9100102304590086
Energy: 0.8869899329960005
Energy: 0.9100102304581763
Energy: 0.8869899329960005
Energy: 0.9563515767946417
Energy: 0.9247499918049602
Energy: 0.9563515767946417
Energy: 0.9247499918057923
Energy: 0.9563515767946417
Energy: 0.9247499918057923

minimum gb energy = 0.8869899329960005 eV
minimum distance =  2.32188471723727 Angstroms
sigma value = 27


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

Energy: 0.9773305502964388
Energy: 0.9000568555926316
Energy: 0.9412936349531363
Energy: 0.9000568555926316
Energy: 0.9773305502964388
Energy: 0.9000568555926316
Energy: 0.9437427660098543
Energy: 0.9075905967632034
Energy: 0.9437427660105557
Energy: 0.9075905967632034
Energy: 0.9437427660098543
Energy: 0.9075905967632034
Energy: 0.8972044993548237
Energy: 0.9240122657457591
Energy: 0.8972044993555252
Energy: 0.9240122657457591
Energy: 0.8972044993555252
Energy: 0.9240122657457591
Energy: 0.9095255549654134
Energy: 0.9837620635337068
Energy: 0.9095255549654134
Energy: 0.9837620635351098
Energy: 0.9095255549654134
Energy: 0.9837620635337068
Energy: 0.909274208660155
Energy: 0.8630394706180557
Energy: 0.909274208660155
Energy: 0.8630394706187573
Energy: 0.909274208660155
Energy: 0.8630394706187573
Energy: 0.903055209551951
Energy: 0.942931695603564
Energy: 0.903055209551951
Energy: 0.942931695603564
Energy: 0.903055209551951
Energy: 0.942931695603564
Energy: 0.9409915699742895
Energy: 0.9081956547450524
Energy: 0.9409915699742895
Energy: 0.9081956547450524
Energy: 0.9409915699742895
Energy: 0.9081956547457539
Energy: 1.0069003768912816
Energy: 0.9545626889490452
Energy: 1.00690037689058
Energy: 0.9545626889490452
Energy: 1.0069003768912816
Energy: 0.9545626889490452
Energy: 0.8577276084004145
Energy: 0.9428655478797787
Energy: 0.8577276084004145
Energy: 0.9428655478790773
Energy: 0.8577276084011161
Energy: 0.9428655478790773
Energy: 0.9096213088926598
Energy: 0.8611962928123827
Energy: 0.9096213088926598
Energy: 0.8611962928123827
Energy: 0.9096213088926598
Energy: 0.8611962928123827
Energy: 0.9102309537926425
Energy: 0.8999374861227649
Energy: 0.9102309537933441
Energy: 0.8999374861234664
Energy: 0.9102309537933441
Energy: 0.8999374861234664
Energy: 0.908204880548811
Energy: 0.941350642663862
Energy: 0.908204880548811
Energy: 0.9413506426645636
Energy: 0.908204880548811
Energy: 0.941350642663862
Energy: 0.9382193417593468
Energy: 1.0207297553554489
Energy: 0.9382193417593468
Energy: 1.0207297553554489
Energy: 0.9382193417593468
Energy: 1.0207297553554489
Energy: 0.9408499462977805
Energy: 0.8612525004611759
Energy: 0.9408499462984821
Energy: 0.8612525004611759
Energy: 0.9408499462984821
Energy: 0.8612525004618774
Energy: 0.9071163039581585
Energy: 0.9425415323470008
Energy: 0.9071163039581585
Energy: 0.9425415323470008
Energy: 0.9071163039581585
Energy: 0.9425415323470008
Energy: 0.9095246211392013
Energy: 0.8630365313038686
Energy: 0.9095246211392013
Energy: 0.8630365313038686
Energy: 0.9095246211399028
Energy: 0.8630365313038686
Energy: 0.9102514345159136
Energy: 0.9300742191577686
Energy: 0.9102514345166152
Energy: 0.9300742191577686
Energy: 0.9102514345166152
Energy: 0.9300742191577686
Energy: 0.9721529824272025
Energy: 0.9084031809649636
Energy: 0.9721529824272025
Energy: 0.9084031809649636
Energy: 0.9721529824272025
Energy: 0.9084031809649636
Energy: 0.9111585575208062
Energy: 0.9080794676223207
Energy: 0.8799735591732233
Energy: 0.9080794676223207
Energy: 0.9111585575201048
Energy: 0.9080794676223207
Energy: 0.9773305502964388
Energy: 0.90005685559193
Energy: 0.9412936349531363
Energy: 0.9000568555926316
Energy: 0.9773305502964388
Energy: 0.90005685559193
Energy: 0.9437427660105557
Energy: 0.9075905967625019
Energy: 0.9437427660105557
Energy: 0.9075905967632034
Energy: 0.9437427660105557
Energy: 0.9075905967632034
Energy: 0.8972044993548237
Energy: 0.9240122657457591
Energy: 0.8972044993548237
Energy: 0.9240122657450577
Energy: 0.8972044993555252
Energy: 0.9240122657457591
Energy: 0.909525554966115
Energy: 0.9837620635337068
Energy: 0.9095255549654134
Energy: 0.9837620635337068
Energy: 0.909525554966115
Energy: 0.9837620635344083
Energy: 0.9092742086608564
Energy: 0.8630394706187573
Energy: 0.9092742086594534
Energy: 0.8630394706180557
Energy: 0.9092742086608564
Energy: 0.8630394706187573
Energy: 0.903055209551951
Energy: 0.9429316956028624
Energy: 0.903055209551951
Energy: 0.942931695603564
Energy: 0.903055209551951
Energy: 0.9429316956028624

minimum gb energy = 0.8577276084004145 eV
minimum distance =  2.33581378467603 Angstroms
sigma value = 19


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

Energy: 0.9427283042714625
Energy: 1.0279606462470743
Energy: 0.9427283042714625
Energy: 1.0279606462464685
Energy: 0.9427283042714625
Energy: 1.0279606462464685
Energy: 0.9207934345055834
Energy: 0.9114398181672075
Energy: 0.9207934345049781
Energy: 0.9114398181672075
Energy: 0.9207934345055834
Energy: 0.9114398181672075
Energy: 0.922850082916809
Energy: 0.8927238658616763
Energy: 0.9228500829162033
Energy: 0.8927238658616763
Energy: 0.922850082916809
Energy: 0.8927238658616763
Energy: 0.9054455762444202
Energy: 0.9286721558088584
Energy: 0.9054455762444202
Energy: 0.928672155808253
Energy: 0.9054455762444202
Energy: 0.9286721558088584
Energy: 0.9266996976653606
Energy: 0.9272997918106928
Energy: 0.9266996976647549
Energy: 0.9272997918112984
Energy: 0.9266996976647549
Energy: 0.9272997918119039
Energy: 0.9413534427934027
Energy: 0.9141386152961278
Energy: 0.9413534427934027
Energy: 0.9141386152961278
Energy: 0.9413534427934027
Energy: 0.9141386152961278
Energy: 0.8880259533547299
Energy: 0.936776640143582
Energy: 0.8880259533547299
Energy: 0.9367766401441875
Energy: 0.8880259533547299
Energy: 0.9367766401441875
Energy: 0.916327585341117
Energy: 0.93180043350708
Energy: 0.916327585341117
Energy: 0.93180043350708
Energy: 0.9163275853405113
Energy: 0.9318004335076856
Energy: 0.9315876602275005
Energy: 0.892567086381826
Energy: 0.9315876602275005
Energy: 0.892567086381826
Energy: 0.9315876602268948
Energy: 0.8925670863824315
Energy: 0.9438920908160868
Energy: 0.9328557086680604
Energy: 0.9438920908154812
Energy: 0.9328557086680604
Energy: 0.9438920908160868
Energy: 0.932855708668666
Energy: 0.8935145927578071
Energy: 0.9815911279442443
Energy: 0.8935145927578071
Energy: 0.9815911279436386
Energy: 0.8935145927578071
Energy: 0.9815911279442443
Energy: 0.9279819396606126
Energy: 0.8928614695809035
Energy: 0.9279819396606126
Energy: 0.8928614695809035
Energy: 0.9279819396606126
Energy: 0.8928614695809035
Energy: 0.9134348961873888
Energy: 0.9075462126539288
Energy: 0.9134348961879946
Energy: 0.9075462126533231
Energy: 0.9134348961879946
Energy: 0.9075462126539288
Energy: 0.9126672685901623
Energy: 0.9284624046745457
Energy: 0.9126672685901623
Energy: 0.9284624046745457
Energy: 0.9126672685901623
Energy: 0.92846240467394
Energy: 0.9368545866849572
Energy: 0.9029306527695838
Energy: 0.9368545866849572
Energy: 0.9029306527689784
Energy: 0.9368545866849572
Energy: 0.9029306527695838
Energy: 0.9191196355339593
Energy: 0.8974863758895155
Energy: 0.919119635532748
Energy: 0.8974863758895155
Energy: 0.9191196355333536
Energy: 0.8974863758895155
Energy: 0.9045718110530101
Energy: 0.9160449603905291
Energy: 0.9045718110536157
Energy: 0.9160449603911346
Energy: 0.9045718110536157
Energy: 0.9160449603911346
Energy: 0.9156074212659162
Energy: 0.962185425830975
Energy: 0.9156074212653107
Energy: 0.962185425830975
Energy: 0.9156074212659162
Energy: 0.962185425831553
Energy: 0.8970623133541809
Energy: 0.9122132882238027
Energy: 0.8970623133541809
Energy: 0.9122132882238027
Energy: 0.8970623133541809
Energy: 0.9122132882238027
Energy: 0.9158818066605646
Energy: 0.9165046951856082
Energy: 0.9158818066605646
Energy: 0.9165046951856082
Energy: 0.91588180666117
Energy: 0.9165046951850025
Energy: 0.8914245445326667
Energy: 0.9283808892010235
Energy: 0.8914245445320614
Energy: 0.9283808892016291
Energy: 0.8914245445320614
Energy: 0.9283808892016291
Energy: 0.9301113407790701
Energy: 0.8931464277240666
Energy: 0.9301113407796756
Energy: 0.8931464277240666
Energy: 0.9301113407796756
Energy: 0.8931464277240666
Energy: 0.9633415658584165
Energy: 0.9264928579206352
Energy: 0.9633415658584165
Energy: 0.9264928579206352
Energy: 0.9633415658584165
Energy: 0.9264928579206352
Energy: 0.9308886143537547
Energy: 0.9211525069568609
Energy: 0.9308886143531493
Energy: 0.9211525069574663
Energy: 0.9308886143537547
Energy: 0.9211525069574663
Energy: 0.9070587360723815
Energy: 0.8967068164509
Energy: 0.9070587360723815
Energy: 0.8967068164515055
Energy: 0.9070587360723815
Energy: 0.8967068164515055
Energy: 0.9165639524176425
Energy: 0.8878334306336607
Energy: 0.9165639524176425
Energy: 0.8878334306342663
Energy: 0.9165639524182481
Energy: 0.8878334306342663
Energy: 0.8886801967179244
Energy: 0.9181539981564004
Energy: 0.8886801967179244
Energy: 0.9181539981564004
Energy: 0.8886801967179244
Energy: 0.9181539981564004
Energy: 0.9232938323246958
Energy: 0.9155351734567727
Energy: 0.9232938323246958
Energy: 0.9155351734567727
Energy: 0.9232938323246958
Energy: 0.9155351734561671
Energy: 0.9261483534020376
Energy: 0.9120503167920707
Energy: 0.9261483534020376
Energy: 0.9120503167920707
Energy: 0.9261483534020376
Energy: 0.9120503167920707

minimum gb energy = 0.8878334306336607 eV
minimum distance =  2.31625574245275 Angstroms
sigma value = 101


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

Energy: 0.8760648582009135
Energy: 0.9402528000550757
Energy: 0.8760648582009135
Energy: 0.9402528000550757
Energy: 0.8760648582009135
Energy: 0.9402528000550757
Energy: 0.9046567606793199
Energy: 0.8936199626802721
Energy: 0.9046567606777229
Energy: 0.8936199626802721
Energy: 0.9046567606793199
Energy: 0.8936199626797395
Energy: 0.8955048963197455
Energy: 0.8555288840563917
Energy: 0.8955048963192132
Energy: 0.8555288840558594
Energy: 0.8955048963192132
Energy: 0.8555288840563917
Energy: 0.8367607357248376
Energy: 0.8945802399083742
Energy: 0.8367607357253698
Energy: 0.8945802399174236
Energy: 0.8367607357259021
Energy: 0.8945802399094388
Energy: 0.879991737339322
Energy: 0.8692037140820275
Energy: 0.8799917373398543
Energy: 0.869203714081495
Energy: 0.879991737339322
Energy: 0.869203714081495
Energy: 0.9244106015971671
Energy: 0.8539196750692012
Energy: 0.9244106015971671
Energy: 0.8539196750697335
Energy: 0.9244106015971671
Energy: 0.8539196750697335
Energy: 0.8835627978180178
Energy: 0.8805843786266654
Energy: 0.8835627978180178
Energy: 0.8805843786266654
Energy: 0.8835627978180178
Energy: 0.8805843786266654
Energy: 0.8364246602140819
Energy: 0.8827276167234317
Energy: 0.8364246602140819
Energy: 0.8827276167239639
Energy: 0.8364246602140819
Energy: 0.8827276167250285
Energy: 0.9224183605297991
Energy: 0.854967525124932
Energy: 0.9224183605297991
Energy: 0.854967525124932
Energy: 0.9224183605297991
Energy: 0.8549675251238673
Energy: 0.8784120270430441
Energy: 0.9184111177092906
Energy: 0.8784120270430441
Energy: 0.9184111177092906
Energy: 0.8784120270430441
Energy: 0.9064501935887633
Energy: 0.8355002093639524
Energy: 0.9731764293033869
Energy: 0.8355002093639524
Energy: 0.9731764293033869
Energy: 0.8355002093639524
Energy: 0.9731764293033869
Energy: 0.9458047517131907
Energy: 0.8857798751907735
Energy: 0.9458047517126583
Energy: 0.8857798751907735
Energy: 0.9458047517131907
Energy: 0.8857798751907735
Energy: 0.8883792393363793
Energy: 0.8556768718049398
Energy: 0.8883792393363793
Energy: 0.8556768718049398
Energy: 0.8883792393363793
Energy: 0.8556768718049398
Energy: 0.8757488290431779
Energy: 0.8929504517892075
Energy: 0.8757488290426455
Energy: 0.8929504517886753
Energy: 0.8757488290426455
Energy: 0.8929504517892075
Energy: 0.9382414474168167
Energy: 0.8681047737673598
Energy: 0.9382414474168167
Energy: 0.8681047737678921
Energy: 0.938241447417349
Energy: 0.8681047737684244
Energy: 0.8905658697116933
Energy: 0.8695844315191291
Energy: 0.8905658697116933
Energy: 0.8695844315191291
Energy: 0.8905658697116933
Energy: 0.8695844315191291
Energy: 0.8345979399445065
Energy: 0.91426501230186
Energy: 0.8345979399445065
Energy: 0.91426501230186
Energy: 0.8345979399445065
Energy: 0.91426501230186
Energy: 0.8319100195178821
Energy: 0.8682580442978051
Energy: 0.8319100195183903
Energy: 0.8682580442972727
Energy: 0.8319100195178821
Energy: 0.8682580442972727
Energy: 0.9226392964035673
Energy: 0.8552908402081
Energy: 0.9226392964035673
Energy: 0.8552908402081
Energy: 0.9226392964035673
Energy: 0.8552908402081
Energy: 0.8864323920690288
Energy: 0.9120807539845956
Energy: 0.8864323920690288
Energy: 0.9120807539845956
Energy: 0.8864323920690288
Energy: 0.9120807539845956
Energy: 0.8355951623090675
Energy: 0.9696961450701455
Energy: 0.8355951623095998
Energy: 0.9696961450701455
Energy: 0.8355951623090675
Energy: 0.9696961450701455
Energy: 0.91892483856675
Energy: 0.850239426021893
Energy: 0.9189248385678146
Energy: 0.8502394260224253
Energy: 0.9189248385678146
Energy: 0.850239426021893
Energy: 0.9170644702539584
Energy: 0.8502988982438525
Energy: 0.917064470255023
Energy: 0.8502988982438525
Energy: 0.9170644702544908
Energy: 0.8502988982433203
Energy: 0.8331204246822815
Energy: 0.9139341745847427
Energy: 0.8331204246817734
Energy: 0.9139341745847427
Energy: 0.8331204246822815
Energy: 0.9139341745852749
Energy: 0.8801635461056811
Energy: 0.8542784752566847
Energy: 0.8801635461062134
Energy: 0.8542784752566847
Energy: 0.8801635461062134
Energy: 0.8542784752566847
Energy: 0.8986779880089439
Energy: 0.8544209885892887
Energy: 0.8986779880084117
Energy: 0.8544209885892887
Energy: 0.8986779880084117
Energy: 0.8544209885892887
Energy: 0.8759520857371477
Energy: 0.894751348730851
Energy: 0.875952085736083
Energy: 0.894751348730851
Energy: 0.875952085736083
Energy: 0.8947513487313834
Energy: 0.9134144105904829
Energy: 0.9144223385057564
Energy: 0.9134144105904829
Energy: 0.9144223385057564
Energy: 0.9134144105910152
Energy: 0.9144223385057564
Energy: 0.9138796065627145
Energy: 0.8653218802127127
Energy: 0.9138796065621823
Energy: 0.865321880213245
Energy: 0.9138796065627145
Energy: 0.8653218802127127
Energy: 0.8369724808324593
Energy: 0.927567997599657
Energy: 0.8369724808329916
Energy: 0.927567997599657
Energy: 0.8369724808329916
Energy: 0.9275679976001894
Energy: 0.8321343308240976
Energy: 0.8755450005422946
Energy: 0.8321343308246056
Energy: 0.8755450005428268
Energy: 0.8321343308246056
Energy: 0.8755450005428268
Energy: 0.9176972996330682
Energy: 0.8501369393343715
Energy: 0.9176972996325359
Energy: 0.8501369393349038
Energy: 0.9176972996330682
Energy: 0.8501369393338392
Energy: 0.9104198667411916
Energy: 0.8499877578306213
Energy: 0.9104198667284161
Energy: 0.8499877578306213
Energy: 0.910419866736401
Energy: 0.849987757830089

minimum gb energy = 0.8319100195178821 eV
minimum distance =  2.33129826390826 Angstroms
sigma value = 33


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

Energy: 0.01544140232877498
Energy: 0.5907217057972008
Energy: 0.01544140232877498
Energy: 0.5907217057972008
Energy: 0.01544140232877498
Energy: 0.5907217057972008
Energy: 0.01603567845040315
Energy: 0.25677916661214223
Energy: 0.01603567845040315
Energy: 0.2567791666125845
Energy: 0.01603567845040315
Energy: 0.2567791666125845
Energy: 0.8270333632863339
Energy: 0.25616654621482493
Energy: 0.8270333632867516
Energy: 0.2561665462113849
Energy: 0.8270333632867516
Energy: 0.2561665462152672
Energy: 0.01603567845040315
Energy: 0.2567791666125845
Energy: 0.01603567845040315
Energy: 0.25677916661214223
Energy: 0.01603567845040315
Energy: 0.25677916661214223

minimum gb energy = 0.01544140232877498 eV
minimum distance =  2.54802769943259 Angstroms
sigma value = 1