Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Ni__MO_000553624872_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014532299
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018148661622537067
Energy: 1.2209129230201134
Energy: 0.018148661622537067
Energy: 1.220912923020444
Energy: 0.018148661622537067
Energy: 1.220912923020444
Energy: 1.2209129230201134
Energy: 1.4668561062715773
Energy: 1.220912923020444
Energy: 1.4668561062699617
Energy: 1.220912923020444
Energy: 1.466856106272569
Energy: 0.018148661622537067
Energy: 1.2209129230201134
Energy: 0.018148661622537067
Energy: 1.220912923020444
Energy: 0.018148661622537067
Energy: 1.220912923020444
Energy: 1.2209129230201134
Energy: 1.4668561062722383
Energy: 1.220912923020444
Energy: 1.4668561062715773
Energy: 1.2209129230201134
Energy: 1.4668561062722383
Energy: 0.018148661622537067
Energy: 1.2209129230201134
Energy: 0.018148661622537067
Energy: 1.220912923020444
Energy: 0.018148661622537067
Energy: 1.220912923020444
Energy: 1.2209129230201134
Energy: 1.4668561062706227
Energy: 1.220912923020444
Energy: 1.466856106272569
Energy: 1.220912923020444
Energy: 1.4668561062712469

minimum gb energy = 0.018148661622537067 eV
minimum distance =  2.36839944580381 Angstroms
sigma value = 1


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

Energy: 1.5750066579209878
Energy: 1.5089398878599984
Energy: 1.5750066579209878
Energy: 1.5089398878607938
Energy: 1.5750066579217834
Energy: 1.5089398878599984
Energy: 1.7441848094690757
Energy: 1.4075009787516657
Energy: 1.744184809469871
Energy: 1.4075009787508703
Energy: 1.744184809469871
Energy: 1.4075009787516657
Energy: 1.5537420875456904
Energy: 1.5819982311069845
Energy: 1.5537420875440993
Energy: 1.5819982311069845
Energy: 1.5537420875472814
Energy: 1.5819982311077798
Energy: 1.650746195098091
Energy: 1.4858771897023708
Energy: 1.650746195098091
Energy: 1.4858771897023708
Energy: 1.6507461950972953
Energy: 1.4858771897023708
Energy: 1.5051655386891203
Energy: 1.6531410914477453
Energy: 1.5051655386891203
Energy: 1.6531410914485407
Energy: 1.5051655386891203
Energy: 1.6531410914485407
Energy: 1.6235836190903838
Energy: 1.441254869035488
Energy: 1.6235836190903838
Energy: 1.4412548690346925
Energy: 1.6235836190903838
Energy: 1.4412548690346925
Energy: 1.4535568617224541
Energy: 1.5468338535681287
Energy: 1.4535568617224541
Energy: 1.5468338535681287
Energy: 1.4535568617216585
Energy: 1.5468338535681287
Energy: 1.454008013220196
Energy: 1.6776980889365924
Energy: 1.454008013220196
Energy: 1.6776980889373878
Energy: 1.454008013220196
Energy: 1.6776980889373878
Energy: 1.6106149218352774
Energy: 1.546128255494547
Energy: 1.6106149218352774
Energy: 1.5461282554937514
Energy: 1.6106149218352774
Energy: 1.5461282554937514
Energy: 1.3886961075536104
Energy: 1.6561017719778526
Energy: 1.3886961075528146
Energy: 1.6561017719786477
Energy: 1.3886961075544058
Energy: 1.6561017719778526
Energy: 1.587526453201882
Energy: 1.4391472602558955
Energy: 1.5875264532010867
Energy: 1.4391472602550999
Energy: 1.5875264532010867
Energy: 1.4391472602550999
Energy: 1.3677418303451998
Energy: 1.8993960372503744
Energy: 1.3677418303436086
Energy: 1.8993960372511698
Energy: 1.3677418303444042
Energy: 1.8993960372503744
Energy: 1.6952931504825972
Energy: 1.3535426932136823
Energy: 1.6952931504833926
Energy: 1.3535426932128867
Energy: 1.6952931504825972
Energy: 1.3535426932136823
Energy: 1.4608789541837544
Energy: 1.488979545939904
Energy: 1.4608789541845502
Energy: 1.488979545939904
Energy: 1.4608789541845502
Energy: 1.488979545939904
Energy: 1.7711580911741687
Energy: 1.401259649671245
Energy: 1.7711580911741687
Energy: 1.401259649671245
Energy: 1.7711580911741687
Energy: 1.401259649671245
Energy: 1.7652814766028175
Energy: 1.5997800832002678
Energy: 1.7652814766036131
Energy: 1.5997800832002678
Energy: 1.7652814766036131
Energy: 1.5997800832002678
Energy: 1.531968992458154
Energy: 1.5455710729748573
Energy: 1.5319689924573587
Energy: 1.5455710729748573
Energy: 1.5319689924573587
Energy: 1.5455710729748573
Energy: 1.5349389590051834
Energy: 1.4718624817723485
Energy: 1.534938959003592
Energy: 1.4718624817723485
Energy: 1.5349389590059788
Energy: 1.4718624817723485
Energy: 1.532520363718418
Energy: 1.4818476101447422
Energy: 1.5325203637176223
Energy: 1.4818476101447422
Energy: 1.532520363718418
Energy: 1.4818476101447422
Energy: 1.6015025591253145
Energy: 1.440036483567777
Energy: 1.6015025591253145
Energy: 1.4400364835669814
Energy: 1.6015025591253145
Energy: 1.440036483567777
Energy: 1.4201834242645128
Energy: 1.9091829707067114
Energy: 1.4201834242653084
Energy: 1.9091829707075068
Energy: 1.4201834242653084
Energy: 1.9091829707067114
Energy: 1.5967741607371149
Energy: 1.5494519087891896
Energy: 1.5967741607363193
Energy: 1.5494519087891896
Energy: 1.5967741607363193
Energy: 1.5494519087891896
Energy: 1.3900310302153678
Energy: 1.6951003592185954
Energy: 1.3900310302161634
Energy: 1.6951003592185954
Energy: 1.3900310302153678
Energy: 1.6951003592185954

minimum gb energy = 1.3535426932128867 eV
minimum distance =  2.25206624902633 Angstroms
sigma value = 33


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

Energy: 1.6639738172752074
Energy: 1.6754490521953733
Energy: 1.5593902843536773
Energy: 1.6754490521917533
Energy: 1.6639738172747547
Energy: 1.6754490521917533
Energy: 1.6705844929913631
Energy: 1.495092260378842
Energy: 1.6705844929913631
Energy: 1.495092260378842
Energy: 1.6705844929909106
Energy: 1.4950922603801995
Energy: 1.4554394994760806
Energy: 1.4849524278310284
Energy: 1.455439499477438
Energy: 1.4849524278310284
Energy: 1.4554394994751754
Energy: 1.484952427830576
Energy: 1.722163344765121
Energy: 1.6626637402236473
Energy: 1.7221633447646683
Energy: 1.6626637402236473
Energy: 1.722163344765121
Energy: 1.6626637402240998
Energy: 1.5567631620915332
Energy: 1.544363799667054
Energy: 1.5567631620915332
Energy: 1.5443637969586033
Energy: 1.5567631620915332
Energy: 1.5443637517283522
Energy: 1.5209429487004487
Energy: 1.4401873996246726
Energy: 1.5209429487004487
Energy: 1.4401873996246726
Energy: 1.5209429487013537
Energy: 1.440187399625125
Energy: 1.6876710667254915
Energy: 1.5603027223322747
Energy: 1.6876710667254915
Energy: 1.5603027223318224
Energy: 1.6876710667254915
Energy: 1.5603027223318224
Energy: 1.355432163921213
Energy: 1.6644938822497275
Energy: 1.3554321639198557
Energy: 1.6644938822497275
Energy: 1.355432163921213
Energy: 1.6644938822488224
Energy: 1.4172996272846528
Energy: 1.4385625391271732
Energy: 1.4172996272837475
Energy: 1.4385625391271732
Energy: 1.4172996272851053
Energy: 1.4385625391267212
Energy: 1.4224659272577798
Energy: 1.7127370229550138
Energy: 1.4225090917285577
Energy: 1.7127370229545615
Energy: 1.4224659272573272
Energy: 1.7127370229545615
Energy: 1.8187361484278353
Energy: 1.4398266328145914
Energy: 1.8187361484282878
Energy: 1.4398266328145914
Energy: 1.8187361484278353
Energy: 1.4398266328150437
Energy: 1.4389408460891127
Energy: 1.5491441038275404
Energy: 1.4389418390306683
Energy: 1.549144103827993
Energy: 1.4389408460891127
Energy: 1.5491441038266356
Energy: 1.559869951970623
Energy: 1.439824633284325
Energy: 1.664722742946317
Energy: 1.439824633284325
Energy: 1.5598699519710757
Energy: 1.4398246332838727
Energy: 1.5595140928389764
Energy: 1.679512849889559
Energy: 1.664128882151953
Energy: 1.679512849889559
Energy: 1.5595140928394287
Energy: 1.6795128498886542
Energy: 1.5661678135468629
Energy: 1.485623971935196
Energy: 1.5661678135486727
Energy: 1.4856239719356483
Energy: 1.5661678135468629
Energy: 1.485623971935196
Energy: 1.438008191448251
Energy: 1.494107070790121
Energy: 1.438008191447346
Energy: 1.4941070707896686
Energy: 1.4380081914477985
Energy: 1.4941070707910262
Energy: 1.7659081704647879
Energy: 1.5910631182937873
Energy: 1.765908170465693
Energy: 1.5910631182937873
Energy: 1.7659081704647879
Energy: 1.5910631182937873
Energy: 1.5563016317283305
Energy: 1.4380827876173246
Energy: 1.5563016317287832
Energy: 1.4380827876173246
Energy: 1.5563016317287832
Energy: 1.4380827876182298
Energy: 1.5234129367175866
Energy: 1.4957183430584986
Energy: 1.5234129367189442
Energy: 1.4957183430584986
Energy: 1.523412936717134
Energy: 1.4957183430598562
Energy: 1.6807378995000097
Energy: 1.564036892483324
Energy: 1.6807378995009143
Energy: 1.564036892483324
Energy: 1.6807378994991045
Energy: 1.5640368924837762
Energy: 1.373485634112539
Energy: 1.6652272977854525
Energy: 1.373485634111634
Energy: 1.6652272977854525
Energy: 1.373485634112539
Energy: 1.6652272977858638
Energy: 1.4833664210585185
Energy: 1.4570931937525733
Energy: 1.483366421058971
Energy: 1.4570931937525733
Energy: 1.4833664210585185
Energy: 1.4570931937525733
Energy: 1.4221250609032443
Energy: 1.7143183117829768
Energy: 1.4221365675544186
Energy: 1.7143183117820722
Energy: 1.4221250609032443
Energy: 1.7143183117802618
Energy: 1.729550564132817
Energy: 1.557723446703538
Energy: 1.7295506889079044
Energy: 1.5577234467030856
Energy: 1.7295505136738685
Energy: 1.557723446702633
Energy: 1.4555778869237557
Energy: 1.521041117032928
Energy: 1.4552580302975702
Energy: 1.5210411170324756
Energy: 1.4555778869237557
Energy: 1.5210411170333804
Energy: 1.6645958004803272
Energy: 1.6400107746299342
Energy: 1.5600839410597755
Energy: 1.640010774629029
Energy: 1.664595800479422
Energy: 1.6400107746285764
Energy: 1.6646931901387927
Energy: 1.5957605814429041
Energy: 1.5618151234456303
Energy: 1.5957605814429041
Energy: 1.6646931901392448
Energy: 1.5957605814424516
Energy: 1.437804671744354
Energy: 1.4837351048071044
Energy: 1.437804671745259
Energy: 1.4837351048066518
Energy: 1.437804671744354
Energy: 1.483735104806199
Energy: 1.7119401572744168
Energy: 1.470428521851041
Energy: 1.7119401572744168
Energy: 1.4704285218514932
Energy: 1.7119401572744168
Energy: 1.4704285218496833
Energy: 1.4338871538844289
Energy: 1.8379577167756087
Energy: 1.433887153883071
Energy: 1.8379577167751562
Energy: 1.4338871538853337
Energy: 1.8379577167751562
Energy: 1.555997285106836
Energy: 1.4389426712253293
Energy: 1.5559972851072883
Energy: 1.4389426712253293
Energy: 1.555997285106836
Energy: 1.4389426712253293
Energy: 1.460405641944992
Energy: 1.5616450981451693
Energy: 1.4604056419440867
Energy: 1.5616450981451693
Energy: 1.460405641944992
Energy: 1.5616450981447167
Energy: 1.6754296770440114
Energy: 1.563816258617477
Energy: 1.6754296770449164
Energy: 1.5638162586170243
Energy: 1.6754296770440114
Energy: 1.563816258617477
Energy: 1.4917675936141652
Energy: 1.5650069056740346
Energy: 1.4917675936119028
Energy: 1.5650069056740346
Energy: 1.4917675936141652
Energy: 1.5650069056740346
Energy: 1.4923516809238173
Energy: 1.439961642041716
Energy: 1.4923516809215547
Energy: 1.4399616420412638
Energy: 1.4923516809233646
Energy: 1.4399616420412638
Energy: 1.6640597505778845
Energy: 1.7180477466953223
Energy: 1.6640597505787893
Energy: 1.7180477466953223
Energy: 1.6640597505778845
Energy: 1.7180477466957749
Energy: 1.4394124246895448
Energy: 1.5565093998019504
Energy: 1.439231666781159
Energy: 1.5565093998014976
Energy: 1.4394124246890923
Energy: 1.5565093998019504
Energy: 1.4956023733872634
Energy: 1.521305271392418
Energy: 1.4904787261360657
Energy: 1.5213052713928708
Energy: 1.4956023733872634
Energy: 1.5213052713919657
Energy: 1.559390072445329
Energy: 1.6814352426811718
Energy: 1.6644676139317802
Energy: 1.6814352426816246
Energy: 1.559390072445329
Energy: 1.6814352426807193
Energy: 1.6643411890818722
Energy: 1.35323264792277
Energy: 1.6643411890814195
Energy: 1.35323264792277
Energy: 1.6643411890823248
Energy: 1.3532326479232224
Energy: 1.4392258724707503
Energy: 1.416372846064377
Energy: 1.4392258724680351
Energy: 1.416372846064377
Energy: 1.4392258724698455
Energy: 1.416372846064377

minimum gb energy = 1.35323264792277 eV
minimum distance =  2.33960038271417 Angstroms
sigma value = 51


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

Energy: 1.5494713463139178
Energy: 1.5768021994805155
Energy: 1.5494713463149665
Energy: 1.5768021994805155
Energy: 1.5494713463139178
Energy: 1.5768021994805155
Energy: 1.6678374639336586
Energy: 1.5164583680502137
Energy: 1.6678374639336586
Energy: 1.5164583680502137
Energy: 1.6678374639336586
Energy: 1.5164583680512624
Energy: 1.4829013277299496
Energy: 1.5561537581051559
Energy: 1.4829013277299496
Energy: 1.5561537581041074
Energy: 1.4829013277299496
Energy: 1.5561537581041074
Energy: 1.5393349506039893
Energy: 1.4030840233825213
Energy: 1.5393349506039893
Energy: 1.40308402338357
Energy: 1.5393349506039893
Energy: 1.4030840233825213
Energy: 1.6036652137010792
Energy: 1.499974835241697
Energy: 1.6036652137010792
Energy: 1.499974835241697
Energy: 1.6036652137010792
Energy: 1.499974835241697
Energy: 1.6023353304151915
Energy: 1.5001032106793823
Energy: 1.6023353304151915
Energy: 1.5001032106793823
Energy: 1.6023353304151915
Energy: 1.5001032106793823
Energy: 1.5490425157008592
Energy: 1.4994392465914694
Energy: 1.5490425157008592
Energy: 1.4994392465914694
Energy: 1.5490425156998107
Energy: 1.4994392465914694
Energy: 1.4420113902541243
Energy: 1.5005750575977348
Energy: 1.4420113902541243
Energy: 1.5005750575977348
Energy: 1.4420113902541243
Energy: 1.5005750575977348
Energy: 1.7763754674532093
Energy: 1.4028951431546204
Energy: 1.7763754674532093
Energy: 1.4028951431546204
Energy: 1.7763754674532093
Energy: 1.4028951431546204
Energy: 1.4321394697375494
Energy: 1.7665948104129037
Energy: 1.4321394697365009
Energy: 1.766594810413952
Energy: 1.4321394697365009
Energy: 1.766594810413952
Energy: 1.661982485655593
Energy: 1.4010947411595138
Energy: 1.661982485654544
Energy: 1.4010947411595138
Energy: 1.661982485654544
Energy: 1.4010947411595138
Energy: 1.5469049644594202
Energy: 1.579759658351325
Energy: 1.5469049644604687
Energy: 1.579759658351325
Energy: 1.5469049644594202
Energy: 1.579759658351325
Energy: 1.668610955890641
Energy: 1.513455490402498
Energy: 1.6686109558916895
Energy: 1.513455490402498
Energy: 1.668610955892738
Energy: 1.513455490402498
Energy: 1.4832534200831324
Energy: 1.4708926329550132
Energy: 1.4832534200831324
Energy: 1.4708926329539644
Energy: 1.4832534200831324
Energy: 1.4708926329539644
Energy: 1.578270360116325
Energy: 1.5488487282600847
Energy: 1.578270360116325
Energy: 1.5488487282590362
Energy: 1.5782703601152765
Energy: 1.5488487282600847
Energy: 1.5876503591840498
Energy: 1.499881474843313
Energy: 1.5876503591830011
Energy: 1.499881474843313
Energy: 1.5876503591830011
Energy: 1.4998814748422646
Energy: 1.6021878887712284
Energy: 1.6194274982794175
Energy: 1.6021878887712284
Energy: 1.6194274982794175
Energy: 1.6021878887712284
Energy: 1.6194274982783692
Energy: 1.5475083118945445
Energy: 1.4995553136708142
Energy: 1.5475083118945445
Energy: 1.4995553136708142
Energy: 1.5475083118934962
Energy: 1.4995553136708142

minimum gb energy = 1.4010947411595138 eV
minimum distance =  2.25579142402803 Angstroms
sigma value = 19


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

Energy: 1.3654413202077014
Energy: 1.4081690465283698
Energy: 1.3093552247569107
Energy: 1.4081690465283698
Energy: 1.3654413202077014
Energy: 1.4081690465283698
Energy: 1.554812574510927
Energy: 1.5786386811630522
Energy: 1.5548125745115486
Energy: 1.5786386811630522
Energy: 1.554812574510927
Energy: 1.5786386811636743
Energy: 1.3112779399313568
Energy: 1.5645447866047992
Energy: 1.311277939930735
Energy: 1.5645447866041775
Energy: 1.3112779399313568
Energy: 1.5645447866041775
Energy: 1.4535208545537197
Energy: 1.3111145911559834
Energy: 1.4535208545543417
Energy: 1.3111145911559834
Energy: 1.4535208545543417
Energy: 1.3111145911553617
Energy: 1.3582481268155608
Energy: 1.306697178272994
Energy: 1.3582481268155608
Energy: 1.306697178272994
Energy: 1.3582481268149391
Energy: 1.3066971782748598
Energy: 1.2889436462905202
Energy: 1.3067852278902745
Energy: 1.2889436462923858
Energy: 1.3067852278902745
Energy: 1.288943646291142
Energy: 1.3067852278902745
Energy: 1.3870721000018982
Energy: 1.311224643803976
Energy: 1.3870721000018982
Energy: 1.311224643803976
Energy: 1.3870721000018982
Energy: 1.311224643803976
Energy: 1.311197469751439
Energy: 1.6498203399127038
Energy: 1.311196274764816
Energy: 1.6498203399127038
Energy: 1.311197469751439
Energy: 1.6498203399139475
Energy: 1.4973383930149287
Energy: 1.5981652093228866
Energy: 1.4973383930143067
Energy: 1.5981652093228866
Energy: 1.4973383930149287
Energy: 1.5981652093222647
Energy: 1.3093552247575329
Energy: 1.4081690465283698
Energy: 1.3093552247575329
Energy: 1.4081690465283698
Energy: 1.3093552247575329
Energy: 1.4081690465289916
Energy: 1.5548125745115486
Energy: 1.5786386811636743
Energy: 1.5548125745115486
Energy: 1.5786386811636743
Energy: 1.554812574510927
Energy: 1.578638681164296
Energy: 1.3112779399313568
Energy: 1.5645447866041775
Energy: 1.311277939930735
Energy: 1.5645447866041775
Energy: 1.3112779399313568
Energy: 1.5645447866041775
Energy: 1.4535208545549636
Energy: 1.3111107967404876
Energy: 1.4535208545543417
Energy: 1.3111107967404876
Energy: 1.4535208545543417
Energy: 1.3111107967392437
Energy: 1.3582481268155608
Energy: 1.306697178273616
Energy: 1.3582481268161828
Energy: 1.306697178273616
Energy: 1.3582481268155608
Energy: 1.306697178275482
Energy: 1.288943646291142
Energy: 1.3067852278902745
Energy: 1.2889436462923858
Energy: 1.3067852278902745
Energy: 1.288943646291142
Energy: 1.3067852278902745
Energy: 1.3870721000018982
Energy: 1.311224643804598
Energy: 1.3870721000018982
Energy: 1.311224643804598
Energy: 1.3870721000018982
Energy: 1.311224643803976
Energy: 1.3112376342619523
Energy: 1.6498203399127038
Energy: 1.311214546339999
Energy: 1.6498203399127038
Energy: 1.3112376342619523
Energy: 1.6498203399139475
Energy: 1.501665287799147
Energy: 1.5981652093235088
Energy: 1.4973383930149287
Energy: 1.5981652093228866
Energy: 1.501665287799147
Energy: 1.5981652093222647
Energy: 1.3654413202070794
Energy: 1.4081690465283698
Energy: 1.3093552247569107
Energy: 1.4081690465283698
Energy: 1.3654413202070794
Energy: 1.4081690465283698
Energy: 1.554812574510927
Energy: 1.5786386811630522
Energy: 1.554812574510927
Energy: 1.5786386811630522
Energy: 1.554812574510927
Energy: 1.5786386811636743
Energy: 1.311277939930735
Energy: 1.5645447866041775
Energy: 1.311277939930113
Energy: 1.5645447866047992
Energy: 1.3112779399313568
Energy: 1.5645447866047992
Energy: 1.4535208545549636
Energy: 1.3111145911559834
Energy: 1.4535208545549636
Energy: 1.3111145911559834
Energy: 1.4535208545549636
Energy: 1.3111145911553617
Energy: 1.3582481268149391
Energy: 1.306697178273616
Energy: 1.3582481268161828
Energy: 1.306697178273616
Energy: 1.3582481268149391
Energy: 1.3066971782748598
Energy: 1.288943646291142
Energy: 1.3067852278896526
Energy: 1.2889436462917638
Energy: 1.3067852278902745
Energy: 1.2889436462917638
Energy: 1.3067852278896526
Energy: 1.3870721000012762
Energy: 1.311224643803976
Energy: 1.3870721000018982
Energy: 1.311224643804598
Energy: 1.3870721000018982
Energy: 1.311224643804598
Energy: 1.311197469751439
Energy: 1.6498203399139475
Energy: 1.311196274764816
Energy: 1.6498203399139475
Energy: 1.311197469751439
Energy: 1.6498203399145692
Energy: 1.4973383930155506
Energy: 1.5981652093228866
Energy: 1.4973383930149287
Energy: 1.5981652093228866
Energy: 1.4973383930155506
Energy: 1.5981652093216427
Energy: 1.3093552247569107
Energy: 1.4081690465283698
Energy: 1.3093552247575329
Energy: 1.4081690465283698
Energy: 1.3093552247569107
Energy: 1.4081690465283698
Energy: 1.554812574510927
Energy: 1.5786386811624304
Energy: 1.5548125745103047
Energy: 1.5786386811624304
Energy: 1.554812574510927
Energy: 1.5786386811630522
Energy: 1.3112779399313568
Energy: 1.5645447866047992
Energy: 1.311277939930735
Energy: 1.5645447866047992
Energy: 1.3112779399313568
Energy: 1.5645447866047992

minimum gb energy = 1.2889436462905202 eV
minimum distance =  2.26433287838637 Angstroms
sigma value = 27


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

Energy: 1.2810429505209262
Energy: 1.2424542682018307
Energy: 1.281042950519403
Energy: 1.2424542682018307
Energy: 1.2810429505209262
Energy: 1.2424542682018307
Energy: 1.6538458707835066
Energy: 1.2861836230258608
Energy: 1.6538458707835066
Energy: 1.2861836230258608
Energy: 1.6538458707835066
Energy: 1.2861836230258608
Energy: 1.3557441483417605
Energy: 1.4332481254104685
Energy: 1.2056057984920892
Energy: 1.4332481254089453
Energy: 1.3557441483417605
Energy: 1.4332481254089453
Energy: 1.4029662738514985
Energy: 1.2062058321997586
Energy: 1.402966273853022
Energy: 1.2062058321982354
Energy: 1.402966273849975
Energy: 1.2062058321997586
Energy: 1.6451083772047892
Energy: 1.2066177945305303
Energy: 1.6451083772047892
Energy: 1.2066177945305303
Energy: 1.6451083772047892
Energy: 1.2066177945305303
Energy: 1.4408074964646052
Energy: 1.4977827609953465
Energy: 1.4408074964646052
Energy: 1.4977827609938232
Energy: 1.4408074964646052
Energy: 1.4977827609953465
Energy: 1.2080031097057924
Energy: 1.2884609216467975
Energy: 1.2080031097057924
Energy: 1.2884609216467975
Energy: 1.2080031097057924
Energy: 1.2884609216467975
Energy: 1.2772478539953096
Energy: 1.2487178817617908
Energy: 1.2772478539937862
Energy: 1.2487178817617908
Energy: 1.2772478539937862
Energy: 1.2487178817617908
Energy: 1.619615071060399
Energy: 1.32637262515253
Energy: 1.619615071060399
Energy: 1.3263726267559257
Energy: 1.619615071060399
Energy: 1.3263726286623712
Energy: 1.384051772207688
Energy: 1.4435681302362364
Energy: 1.384051772207688
Energy: 1.4435681302362364
Energy: 1.384051772207688
Energy: 1.4435681302362364
Energy: 1.34105038991564
Energy: 1.2068530279378098
Energy: 1.34105038991564
Energy: 1.2068530279362866
Energy: 1.34105038991564
Energy: 1.2068530279378098
Energy: 1.4963479719013242
Energy: 1.366343702469214
Energy: 1.4963479719013242
Energy: 1.366343702469214
Energy: 1.4963479719013242
Energy: 1.366343702469214

minimum gb energy = 1.2056057984920892 eV
minimum distance =  2.24683051308816 Angstroms
sigma value = 9


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

Energy: 1.2423754127543003
Energy: 1.2659013060297304
Energy: 1.2423754127555844
Energy: 1.2659013060305864
Energy: 1.2423754127551563
Energy: 1.2659013060301585
Energy: 1.2986414915286062
Energy: 1.1408669242992644
Energy: 1.2986414915251818
Energy: 1.203473129582872
Energy: 1.298641491529034
Energy: 1.203473129582444
Energy: 1.1342955571338291
Energy: 1.3483974360534976
Energy: 1.1342955571321167
Energy: 1.3483974360530695
Energy: 1.1342955571338291
Energy: 1.3483974360530695
Energy: 1.1251033153631573
Energy: 1.0947019414767525
Energy: 1.1251033153631573
Energy: 1.0947019414771806
Energy: 1.1251033153631573
Energy: 1.0947019414771806
Energy: 1.2230669787143365
Energy: 1.1711066234817067
Energy: 1.2230669787130524
Energy: 1.1711066234808505
Energy: 1.2230669787134805
Energy: 1.1711066234808505
Energy: 1.2190219815794008
Energy: 1.25091216475191
Energy: 1.219021981580257
Energy: 1.2260842669082077
Energy: 1.219021981578973
Energy: 1.2260842669086358
Energy: 1.1511691790702996
Energy: 1.273160048951694
Energy: 1.1511691790707275
Energy: 1.2731600489525505
Energy: 1.1511691790690155
Energy: 1.2731600489521224
Energy: 1.0672407418375862
Energy: 1.3147792409731536
Energy: 1.0672407418371581
Energy: 1.3147792409735817
Energy: 1.0672407418384422
Energy: 1.3147792409735817
Energy: 1.2447258242895047
Energy: 1.1711106136420166
Energy: 1.2447258242890769
Energy: 1.1711106136398766
Energy: 1.2447258242933572
Energy: 1.1711106136424445
Energy: 1.226064596380736
Energy: 1.5657762510901363
Energy: 1.2260645963785957
Energy: 1.5657762510897082
Energy: 1.226064596381592
Energy: 1.5657762510901363
Energy: 1.1288563761092476
Energy: 1.1000014485312182
Energy: 1.1288563761088195
Energy: 1.10000144853079
Energy: 1.1288563761088195
Energy: 1.1000014485312182
Energy: 1.1611109702739426
Energy: 1.3027811585941147
Energy: 1.1611109702726583
Energy: 1.3027811585941147
Energy: 1.1611109702735143
Energy: 1.3027811585945428
Energy: 1.1903016390566326
Energy: 1.2084522073599426
Energy: 1.1903016390553485
Energy: 1.2084522073595145
Energy: 1.1903016390557768
Energy: 1.2084522073590864
Energy: 1.238833545473357
Energy: 1.5960579289534509
Energy: 1.238833545473357
Energy: 1.5960579289534509
Energy: 1.238833545473357
Energy: 1.596057928952595
Energy: 1.112352376278018
Energy: 1.23364346373462
Energy: 1.112352376276734
Energy: 1.233643463735048
Energy: 1.112352376277162
Energy: 1.23364346373462
Energy: 1.1360746889335378
Energy: 1.1525909077019614
Energy: 1.1360746889335378
Energy: 1.1525909077023895
Energy: 1.136074688932254
Energy: 1.1525909077019614
Energy: 1.451618376903576
Energy: 1.0945101529770267
Energy: 1.451618376903148
Energy: 1.0945101529774546
Energy: 1.451618376903148
Energy: 1.0945101529787387
Energy: 1.124151335607486
Energy: 1.172134388068565
Energy: 1.1241513356070578
Energy: 1.172134388068137
Energy: 1.1241513356070578
Energy: 1.172134388068993
Energy: 1.0633942264170442
Energy: 1.5260787718125957
Energy: 1.0633942264170442
Energy: 1.5260787718125957
Energy: 1.0633942264170442
Energy: 1.5260787718125957
Energy: 1.5630948377965816
Energy: 1.3469404781575578
Energy: 1.5630948377970098
Energy: 1.3768301922924784
Energy: 1.5630948377965816
Energy: 1.376830192289054
Energy: 1.0633650087741215
Energy: 1.5262414905913029
Energy: 1.0633650087741215
Energy: 1.5262414905913029
Energy: 1.0633650087728375
Energy: 1.5262414905913029
Energy: 1.1243708378348303
Energy: 1.1725195891946278
Energy: 1.124370837833974
Energy: 1.1725195891933438
Energy: 1.124370837833118
Energy: 1.1725195891933438
Energy: 1.4516303471248453
Energy: 1.0947499693621374
Energy: 1.451630347125701
Energy: 1.0947499693621374
Energy: 1.4516303471252734
Energy: 1.0947499693625655
Energy: 1.1360663218113447
Energy: 1.21502594741898
Energy: 1.1360663218113447
Energy: 1.215025947419408
Energy: 1.1360663218109168
Energy: 1.21502594741898
Energy: 1.112301450009177
Energy: 1.2334388264479925
Energy: 1.1123014500083213
Energy: 1.2334388264484206
Energy: 1.112301450009177
Energy: 1.2334388264488485
Energy: 1.2390984193758252
Energy: 1.3502376614382734
Energy: 1.239098419374969
Energy: 1.3502376614391296
Energy: 1.239098419375397
Energy: 1.3502376614391296
Energy: 1.1911613359133284
Energy: 1.2079900089533835
Energy: 1.1911613359124722
Energy: 1.2079900089529556
Energy: 1.1911613359137563
Energy: 1.2079900089533835
Energy: 1.1614982175152913
Energy: 1.1786506312456193
Energy: 1.1614982175144353
Energy: 1.1786506312460474
Energy: 1.161498217514007
Energy: 1.1786506312456193
Energy: 1.128832950250223
Energy: 1.0999504966345153
Energy: 1.128832950250651
Energy: 1.0999504966345153
Energy: 1.128832950250223
Energy: 1.0999504966345153
Energy: 1.2253658383144002
Energy: 1.320950360216281
Energy: 1.2253658383144002
Energy: 1.3209503602115726
Energy: 1.2253658383148283
Energy: 1.3209503602201333
Energy: 1.2446951221382918
Energy: 1.1713956104342989
Energy: 1.2446951221387197
Energy: 1.1713956104342989
Energy: 1.2446951221374356
Energy: 1.1713956104347267
Energy: 1.0673983131647042
Energy: 1.31479478386695
Energy: 1.0673983131655602
Energy: 1.31479478386695
Energy: 1.0673983131651323
Energy: 1.31479478386695
Energy: 1.1517036784626868
Energy: 1.2723511973533463
Energy: 1.151703678463543
Energy: 1.2723511973507782
Energy: 1.151703678463543
Energy: 1.2723511973529185
Energy: 1.219192592587855
Energy: 1.2197226139244037
Energy: 1.2191925925904235
Energy: 1.2197226139244037
Energy: 1.219192592587427
Energy: 1.2197226139239756
Energy: 1.2230894165264115
Energy: 1.1714516336349503
Energy: 1.2230894165276955
Energy: 1.1714516336353784
Energy: 1.2230894165272677
Energy: 1.1714516336353784
Energy: 1.125182189026457
Energy: 1.0947930021660424
Energy: 1.125182189027313
Energy: 1.0947930021660424
Energy: 1.125182189026885
Energy: 1.0947930021660424
Energy: 1.1343614921908758
Energy: 1.3482766745496537
Energy: 1.1343614921908758
Energy: 1.348276674550082
Energy: 1.1343614921908758
Energy: 1.3482766745479418
Energy: 1.2987530592150827
Energy: 1.1851402943133025
Energy: 1.2987530592142267
Energy: 1.1851402943133025
Energy: 1.2987530592133705
Energy: 1.1851402943137306
Energy: 1.2423754127543003
Energy: 1.2659013060322986
Energy: 1.2423754127555844
Energy: 1.2659013060318705
Energy: 1.2423754127551563
Energy: 1.2659013060318705
Energy: 1.2986414914977877
Energy: 1.203473129582872
Energy: 1.2986414914965034
Energy: 1.203473129582872
Energy: 1.2986414914973596
Energy: 1.2034731295833
Energy: 1.134295557134685
Energy: 1.3483974360543536
Energy: 1.1342955571338291
Energy: 1.3483974360543536
Energy: 1.1342955571355409
Energy: 1.3483974360547817
Energy: 1.1251033153631573
Energy: 1.0947019414758965
Energy: 1.1251033153627292
Energy: 1.0947019414754684
Energy: 1.1251033153627292
Energy: 1.0947019414754684
Energy: 1.2230669787143365
Energy: 1.1711066234808505
Energy: 1.2230669787134805
Energy: 1.1711066234812784
Energy: 1.2230669787147643
Energy: 1.1711066234817067

minimum gb energy = 1.0633650087728375 eV
minimum distance =  2.3128074713543 Angstroms
sigma value = 57


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

Energy: 0.6839991592549327
Energy: 0.6733183693067579
Energy: 0.5358216777508285
Energy: 0.6733183693067579
Energy: 0.6839991592549327
Energy: 0.6733183693077324
Energy: 0.8229260309737458
Energy: 0.6803628189681097
Energy: 0.8229260309756947
Energy: 0.6803628189681097
Energy: 0.8229260309728157
Energy: 0.6803628189681097
Energy: 0.7298817618839354
Energy: 1.3265302257218183
Energy: 0.7298817618839354
Energy: 1.3265302257218183
Energy: 0.7298817618839354
Energy: 1.3265302257218183
Energy: 0.674744439499237
Energy: 0.5355064459379586
Energy: 0.6747444394982626
Energy: 0.5355064459379586
Energy: 0.6747444395002113
Energy: 0.5355064459379586
Energy: 0.6942031874345154
Energy: 0.8292170324650983
Energy: 0.6942031874345154
Energy: 0.8292170324650983
Energy: 0.6942031874345154
Energy: 0.8292170324641238
Energy: 0.5356723978118669
Energy: 0.7300075640820425
Energy: 0.5356723978128413
Energy: 0.7300075640820425
Energy: 0.5356723978118669
Energy: 0.7300075640810681
Energy: 0.5356833848021093
Energy: 0.6045743991505617
Energy: 0.5356833848040581
Energy: 0.6045743991505617
Energy: 0.5356833848030838
Energy: 0.6045743991505617
Energy: 0.8232714555360658
Energy: 0.7004726341137016
Energy: 0.8232714555350914
Energy: 0.7004726341127273
Energy: 0.8232714555370401
Energy: 0.7004726341127273
Energy: 0.6749451519139761
Energy: 0.5355051991539659
Energy: 0.6749451519139761
Energy: 0.5355051991539659
Energy: 0.6749451519139761
Energy: 0.5355051991549402
Energy: 0.6043860414084299
Energy: 0.8224006961560899
Energy: 0.6043860414074554
Energy: 0.8224006961560899
Energy: 0.6043860414084299
Energy: 0.8224006961551157
Energy: 0.6944558081700167
Energy: 0.8727778675584724
Energy: 0.6944558081709912
Energy: 0.8727778675584724
Energy: 0.6944558081700167
Energy: 0.8727778675594469
Energy: 0.6839991592568816
Energy: 0.6733183693067579
Energy: 0.5358216777508285
Energy: 0.6733183693067579
Energy: 0.6839991592568816
Energy: 0.6733183693067579
Energy: 0.8229260309737458
Energy: 0.6803628189671352
Energy: 0.8229260309756947
Energy: 0.6803628189671352
Energy: 0.8229260309737458
Energy: 0.6803628189681097
Energy: 0.7298817618839354
Energy: 1.3265302257218183
Energy: 0.7298817618839354
Energy: 1.3265302257218183
Energy: 0.7298817618839354
Energy: 1.3265302257218183
Energy: 0.6747444395002113
Energy: 0.5355064459389329
Energy: 0.6747444395002113
Energy: 0.5355064459389329
Energy: 0.6747444395002113
Energy: 0.5355064459399073
Energy: 0.6942031874345154
Energy: 0.8292170324641238
Energy: 0.6942031874354896
Energy: 0.8292170324641238
Energy: 0.6942031874354896
Energy: 0.8292170324641238
Energy: 0.5356723978118669
Energy: 0.7300075640820425
Energy: 0.5356723978128413
Energy: 0.7300075640820425
Energy: 0.5356723978128413
Energy: 0.7300075640830169
Energy: 0.5356833848030838
Energy: 0.604574399151536
Energy: 0.5356833848040581
Energy: 0.604574399151536
Energy: 0.5356833848030838
Energy: 0.604574399151536
Energy: 0.8232714555370401
Energy: 0.7004726341127273
Energy: 0.8232714555360658
Energy: 0.7004726341117529
Energy: 0.8232714555360658
Energy: 0.7004726341127273

minimum gb energy = 0.5355051991539659 eV
minimum distance =  2.40709477697556 Angstroms
sigma value = 11


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

Energy: 1.1103589339291886
Energy: 1.1657427766829036
Energy: 1.1103589339291886
Energy: 1.1657427766829036
Energy: 1.1103589339299023
Energy: 1.1657427766836175
Energy: 1.2643233527045026
Energy: 1.155366003073862
Energy: 1.2643233527045026
Energy: 1.155366003073862
Energy: 1.2643233527045026
Energy: 1.155366003073862
Energy: 1.322549635167583
Energy: 1.6244373907989254
Energy: 1.3789959540205263
Energy: 1.6244373907989254
Energy: 1.3447950944044857
Energy: 1.6244373907996388
Energy: 1.363174682662312
Energy: 0.9938316074877515
Energy: 1.3631746826630258
Energy: 0.9938316074870378
Energy: 1.3631746826630258
Energy: 0.9938316074877515
Energy: 1.133505646385532
Energy: 0.9367719163843438
Energy: 1.1335056463848185
Energy: 0.9367719163836299
Energy: 1.1335056463848185
Energy: 0.9367719163836299
Energy: 1.1233008641394948
Energy: 1.0663543555417365
Energy: 1.123300864138781
Energy: 1.0663543555417365
Energy: 1.1233008641394948
Energy: 1.06635435554245
Energy: 0.9665404515968401
Energy: 1.334893474235831
Energy: 0.9665404515975538
Energy: 1.334893474235831
Energy: 0.9665404515975538
Energy: 1.3348934742344034
Energy: 1.1729522993490817
Energy: 0.9046944090328973
Energy: 1.172952299348368
Energy: 0.904694409033611
Energy: 1.172952299348368
Energy: 0.904694409033611
Energy: 1.16969912676039
Energy: 0.9207338884479154
Energy: 1.16969912676039
Energy: 0.9207338884479154
Energy: 1.1696991267596761
Energy: 0.9207338884472664
Energy: 0.9245002035430416
Energy: 1.442400278191994
Energy: 0.9245002035409005
Energy: 1.4424002781912801
Energy: 0.924500203542328
Energy: 1.4424002781912801
Energy: 1.1463918880816342
Energy: 1.4268756997998993
Energy: 1.1463918880816342
Energy: 1.4268756997998993
Energy: 1.1463918880816342
Energy: 1.4268756997998993
Energy: 1.1353194603941357
Energy: 0.9369346252806121
Energy: 1.1353194603941357
Energy: 0.9369346252813259
Energy: 1.1353194603941357
Energy: 0.9369346252813259
Energy: 1.2058665639391033
Energy: 0.9994892931772478
Energy: 1.2058665639383894
Energy: 0.9994892931779615
Energy: 1.2058665639383894
Energy: 0.9994892931772478
Energy: 1.2734649497127415
Energy: 1.592524099528451
Energy: 1.2734649497120276
Energy: 1.592524099528451
Energy: 1.2734649497134551
Energy: 1.592524099529165
Energy: 1.241638009914162
Energy: 1.1543344660257415
Energy: 1.241638009914162
Energy: 1.154334466026455
Energy: 1.241638009914162
Energy: 1.1543344660257415
Energy: 1.0221340310490625
Energy: 1.166000645353969
Energy: 1.0221340310483487
Energy: 1.166000645353969
Energy: 1.0221340310490625
Energy: 1.166000645353969
Energy: 1.047043597231749
Energy: 1.1338861747027222
Energy: 1.0470435972324628
Energy: 1.1338861747027222
Energy: 1.0470435972331764
Energy: 1.1338861747027222
Energy: 1.4555291343968795
Energy: 1.5529251493626781
Energy: 1.4555291343975933
Energy: 1.5529251493626781
Energy: 1.4555291343968795
Energy: 1.552925149363392
Energy: 1.3588960435892719
Energy: 0.9893975331761722
Energy: 1.3588960435878443
Energy: 0.9893975331761722
Energy: 1.3588960435878443
Energy: 0.9893975331768861
Energy: 1.1350861580177467
Energy: 1.067934111723221
Energy: 1.1350861580191742
Energy: 1.067934111723221
Energy: 1.1350861580191742
Energy: 1.067934111723935
Energy: 0.9260904977309802
Energy: 1.0677274713721372
Energy: 0.9260904977309802
Energy: 1.0677274713714233
Energy: 0.9260904977302666
Energy: 1.0677274713714233
Energy: 1.22120899874066
Energy: 1.3353940825085058
Energy: 1.2212089987392327
Energy: 1.3353940825092194
Energy: 1.22120899874066
Energy: 1.3353940825085058
Energy: 1.1958091375049065
Energy: 1.0926974975881165
Energy: 1.1958091375041928
Energy: 1.0926974975881165
Energy: 1.1958091375049065
Energy: 1.0926974975881165
Energy: 1.1701135160988627
Energy: 1.0339173982331016
Energy: 1.1701135161002902
Energy: 1.0339173982338155
Energy: 1.1701135160995764
Energy: 1.0339173982338155
Energy: 0.9260719148377949
Energy: 1.4025529035450273
Energy: 0.9260719148356537
Energy: 1.4025529035450273
Energy: 0.9260719148363674
Energy: 1.4025529035443134
Energy: 1.6403723075718895
Energy: 1.4291907187142023
Energy: 1.6403723075711758
Energy: 1.4291907187142023
Energy: 1.6403723075704622
Energy: 1.4291907187142023

minimum gb energy = 0.9046944090328973 eV
minimum distance =  2.30008792335431 Angstroms
sigma value = 41


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

Energy: 1.2605685517464644
Energy: 1.0945734688925757
Energy: 1.260568551747027
Energy: 1.0945734688920132
Energy: 1.260568551747027
Energy: 1.0945734688925757
Energy: 1.3197712837531461
Energy: 1.3472436416740616
Energy: 1.3197712837525837
Energy: 1.347243641673499
Energy: 1.3197712837525837
Energy: 1.3472436416740616
Energy: 1.6099363728173923
Energy: 1.8453682961279498
Energy: 1.6099363728179552
Energy: 1.8453682961279498
Energy: 1.6099363728179552
Energy: 1.8453682961279498
Energy: 1.2765563636511978
Energy: 1.041360853301801
Energy: 1.2765563636511978
Energy: 1.041360853301801
Energy: 1.276556363652323
Energy: 1.041360853301801
Energy: 1.011223335325126
Energy: 1.0938384141227298
Energy: 1.011223335325126
Energy: 1.0938384141227298
Energy: 1.0112233353256885
Energy: 1.0938384141227298
Energy: 1.2925627371064163
Energy: 1.2757497814078473
Energy: 1.2925627371064163
Energy: 1.2757497814078473
Energy: 1.2925627371064163
Energy: 1.2757497814078473
Energy: 1.0516912217028684
Energy: 1.439949682486203
Energy: 1.0516912217017436
Energy: 1.4399496824867657
Energy: 1.051691221702306
Energy: 1.4399496824867657
Energy: 1.0302605779635725
Energy: 1.0439593371175375
Energy: 1.03026057796301
Energy: 1.0439593371169749
Energy: 1.0302605779635725
Energy: 1.0439593371169749
Energy: 1.022809912782486
Energy: 1.0699122121496727
Energy: 1.022809912782486
Energy: 1.0699122121496727
Energy: 1.022809912782486
Energy: 1.0699122121496727
Energy: 1.1313884013659403
Energy: 1.5633985548901177
Energy: 1.1313884013676276
Energy: 1.5633985548901177
Energy: 1.1313884013670654
Energy: 1.5633985548906801
Energy: 1.134433733692701
Energy: 1.5582739075346221
Energy: 1.1344337336921386
Energy: 1.5582739075346221
Energy: 1.134433733692701
Energy: 1.5582739075346221
Energy: 1.0329162724491874
Energy: 1.2162119110043512
Energy: 1.0329162724491874
Energy: 1.216211911005476
Energy: 1.0329162724491874
Energy: 1.2162119110049137
Energy: 1.0213724114670826
Energy: 1.0659639162588939
Energy: 1.0213724114670826
Energy: 1.0659639162577685
Energy: 1.021372411467645
Energy: 1.0659639162583312
Energy: 0.9795614747662544
Energy: 1.450918189066233
Energy: 0.9795614747673795
Energy: 1.450918189066233
Energy: 0.9795614747673795
Energy: 1.450918189066233
Energy: 1.2878640441798197
Energy: 1.2759111044170486
Energy: 1.2878640441798197
Energy: 1.2759111044187361
Energy: 1.2878640441798197
Energy: 1.2759111044181737
Energy: 1.019748601538766
Energy: 1.2137303808722744
Energy: 1.0197486015382033
Energy: 1.2137303808722744
Energy: 1.019748601538766
Energy: 1.213730380871712
Energy: 1.043285793037139
Energy: 1.0662209438354118
Energy: 1.0432857930377015
Energy: 1.0662209438354118
Energy: 1.0432857930377015
Energy: 1.0662209438359744
Energy: 1.371314162698466
Energy: 1.844689161443143
Energy: 1.3713141626990284
Energy: 1.844689161443143
Energy: 1.3713141626990284
Energy: 1.844689161443143
Energy: 1.327864454488619
Energy: 1.346674296933327
Energy: 1.3278644544880565
Energy: 1.3466742969338896
Energy: 1.327864454488619
Energy: 1.3466742969338896
Energy: 1.131179786992073
Energy: 1.3874282311938875
Energy: 1.1311797869926357
Energy: 1.3874282311944501
Energy: 1.131179786993198
Energy: 1.3874282311944501
Energy: 1.0236814234640965
Energy: 1.3580609177285958
Energy: 1.0236814234640965
Energy: 1.3580609177280334
Energy: 1.0236814234640965
Energy: 1.3580609177280334
Energy: 1.6080783167609383
Energy: 1.675154737586432
Energy: 1.608078316761501
Energy: 1.675154737586432
Energy: 1.608078316761501
Energy: 1.675154737586994
Energy: 1.2212430317522127
Energy: 1.0406208620238209
Energy: 1.2212430317522127
Energy: 1.0406208620238209
Energy: 1.2212430317522127
Energy: 1.0406208620238209
Energy: 1.0196293082165584
Energy: 1.3807718825411714
Energy: 1.0196293082171208
Energy: 1.3807718825411714
Energy: 1.0196293082159957
Energy: 1.3807718825406088
Energy: 0.9797326146402637
Energy: 1.4247866961436035
Energy: 0.9797326146408263
Energy: 1.4247866961436035
Energy: 0.9797326146408263
Energy: 1.4247866961436035
Energy: 1.0530712473530357
Energy: 1.0513244129237929
Energy: 1.0530712473524733
Energy: 1.0513244129232304
Energy: 1.0530712473519106
Energy: 1.0513244129215424
Energy: 1.021349467602646
Energy: 1.0411061346376875
Energy: 1.0213494676020833
Energy: 1.0411061346376875
Energy: 1.021349467602646
Energy: 1.04110613463825
Energy: 1.0226037193490631
Energy: 1.3530260954918965
Energy: 1.0226037193485007
Energy: 1.353026095492459
Energy: 1.0226037193490631
Energy: 1.3530260954918965
Energy: 1.1315341532824907
Energy: 1.385279747054765
Energy: 1.1315341532813656
Energy: 1.3852797470542024
Energy: 1.1315341532830534
Energy: 1.3852797470542024
Energy: 1.5289712812048037
Energy: 0.9785606012902623
Energy: 1.528971281205366
Energy: 0.9785606012902623
Energy: 1.528971281205366
Energy: 0.9785606012902623
Energy: 1.0070391615330618
Energy: 1.2117629046640697
Energy: 1.0070391615336243
Energy: 1.2117629046640697
Energy: 1.0070391615330618
Energy: 1.2117629046640697
Energy: 1.054774308114083
Energy: 1.065162124850696
Energy: 1.054774308114083
Energy: 1.0651621248512586
Energy: 1.054774308114083
Energy: 1.065162124850696
Energy: 0.9880643383132279
Energy: 1.2409578654400772
Energy: 0.9880643383126653
Energy: 1.24095786544064
Energy: 0.9880643383126653
Energy: 1.24095786544064

minimum gb energy = 0.9785606012902623 eV
minimum distance =  2.34105920854125 Angstroms
sigma value = 33


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

Energy: 1.1954099200586454
Energy: 1.1190378270628898
Energy: 1.1954099200590043
Energy: 1.1190378270633206
Energy: 1.1954099200586454
Energy: 1.1190378270633206
Energy: 1.2337914833890222
Energy: 1.0588768898562508
Energy: 1.233791483387802
Energy: 1.0588768898562508
Energy: 1.2337914833921806
Energy: 1.0588768898562508
Energy: 1.1513688350441238
Energy: 1.2976537548769815
Energy: 1.1513688350464926
Energy: 1.2976537548746128
Energy: 1.151368835045703
Energy: 1.2976537548766227
Energy: 1.1454905976570782
Energy: 1.0755248980360874
Energy: 1.1454905976567196
Energy: 1.0755248980352976
Energy: 1.1454905976562886
Energy: 1.0755248980356564
Energy: 1.1079048449717992
Energy: 1.078068325894816
Energy: 1.1079048449717992
Energy: 1.0780683259003434
Energy: 1.1079048449714406
Energy: 1.078068325930348
Energy: 1.4550035192377757
Energy: 1.10733756040582
Energy: 1.4550035192365554
Energy: 1.1073375604062508
Energy: 1.4550035192381348
Energy: 1.1073375604050306
Energy: 1.1265995434213272
Energy: 1.2481999532643682
Energy: 1.1265995434205376
Energy: 1.2481999532683161
Energy: 1.1265995434201066
Energy: 1.2481999532667372
Energy: 1.1804111327158513
Energy: 1.2146621332070866
Energy: 1.1804111327166409
Energy: 1.2146621332074452
Energy: 1.1804111327154208
Energy: 1.2146621332070866
Energy: 1.1402733403658782
Energy: 1.1221184738131118
Energy: 1.1402733403646579
Energy: 1.1221184738126815
Energy: 1.1402733403595615
Energy: 1.1221184738131118
Energy: 1.5092803011811573
Energy: 1.0977785457668716
Energy: 1.5092803011803677
Energy: 1.0977785457672307
Energy: 1.5092803011807983
Energy: 1.0977785457668716
Energy: 1.1792086644367417
Energy: 1.1802001939403617
Energy: 1.1792086644367417
Energy: 1.1802001939407925
Energy: 1.1792086644363107
Energy: 1.1802001939403617
Energy: 1.6950196895547394
Energy: 1.0751956333270283
Energy: 1.6950196895555287
Energy: 1.0751956333270283
Energy: 1.695019689555098
Energy: 1.075195633327387
Energy: 1.1283593309055224
Energy: 1.2152557690702792
Energy: 1.1283593309051636
Energy: 1.2152557690679104
Energy: 1.128359330904733
Energy: 1.2152557690596555
Energy: 1.2250460830846286
Energy: 1.1822394943530117
Energy: 1.2250460830846286
Energy: 1.1822394943526526
Energy: 1.2250460830850596
Energy: 1.1822394943526526
Energy: 1.2140492193304284
Energy: 1.1271166063867897
Energy: 1.2140492193307875
Energy: 1.1271166063864309
Energy: 1.2140492193288492
Energy: 1.1271166063867897
Energy: 1.132577081356808
Energy: 1.4570887248430622
Energy: 1.132577081356449
Energy: 1.4570887248426314
Energy: 1.1325770813575977
Energy: 1.4570887248430622
Energy: 1.6826867514502664
Energy: 1.1033682308243993
Energy: 1.6826867514486874
Energy: 1.1033682308248298
Energy: 1.6826867514502664
Energy: 1.1033682308243993
Energy: 1.0711218918157008
Energy: 1.1491953879714847
Energy: 1.0711218918157008
Energy: 1.1491953879714847
Energy: 1.0711218918160599
Energy: 1.1491953879722745
Energy: 1.5068623716279423
Energy: 1.4609265271864242
Energy: 1.506862371627153
Energy: 1.4609265271860656
Energy: 1.5068623716287322
Energy: 1.4609265271860656
Energy: 1.6773784570109407
Energy: 1.1261102182724423
Energy: 1.6773784570101509
Energy: 1.1261102182712939
Energy: 1.6773784570112995
Energy: 1.1261102182720835
Energy: 1.1151664025399468
Energy: 1.1959482335943776
Energy: 1.1151664025407366
Energy: 1.1959482335948084
Energy: 1.1151664025391572
Energy: 1.1959482335940188
Energy: 1.0559641623698937
Energy: 1.2388843342440712
Energy: 1.0559641623686735
Energy: 1.2388843342429228
Energy: 1.055964162369104
Energy: 1.2388843342424922
Energy: 1.2148521884984311
Energy: 1.3893306696614551
Energy: 1.214852188496493
Energy: 1.389330669661814
Energy: 1.21485218850202
Energy: 1.389330669661814
Energy: 1.1044642158628908
Energy: 1.4366549410664748
Energy: 1.1044642158641111
Energy: 1.4366549410669058
Energy: 1.1044642158633216
Energy: 1.4366549410664748
Energy: 1.074923372904325
Energy: 1.10359530286689
Energy: 1.0749233729130108
Energy: 1.10359530286689
Energy: 1.0749233728715923
Energy: 1.10359530286689
Energy: 1.1065825287955688
Energy: 1.4539362983197852
Energy: 1.10658252879521
Energy: 1.4539362983189954
Energy: 1.1065825287955688
Energy: 1.4539362983189954
Energy: 1.2346623878353458
Energy: 1.1295757173966576
Energy: 1.2346623878357046
Energy: 1.1295757173966576
Energy: 1.2346623878357046
Energy: 1.1295757173966576
Energy: 1.1904362554895636
Energy: 1.082078923996385
Energy: 1.1904362554895636
Energy: 1.082078923996385
Energy: 1.1904362554892047
Energy: 1.082078923996026
Energy: 1.1237071132828313
Energy: 1.215075152751127
Energy: 1.1237071132816108
Energy: 1.2150751527353352
Energy: 1.123707113281252
Energy: 1.2150751527491888
Energy: 1.0908464077844988
Energy: 1.507373828272567
Energy: 1.0908464077844988
Energy: 1.5073738282733566
Energy: 1.0908464077849298
Energy: 1.5073738282729978
Energy: 1.1465472167001534
Energy: 1.070549565195712
Energy: 1.1465472166993638
Energy: 1.070549565195712
Energy: 1.1465472167001534
Energy: 1.070549565195712
Energy: 1.1043318978859469
Energy: 1.6971188989236734
Energy: 1.1043318978847982
Energy: 1.6971188989241044
Energy: 1.1043318978859469
Energy: 1.6971188989241044
Energy: 1.6787327631898044
Energy: 1.1307364973845406
Energy: 1.6787327631910243
Energy: 1.1307364973849714
Energy: 1.6787327631913833
Energy: 1.1307364973849714
Energy: 1.1786731708873743
Energy: 1.2166158336303305
Energy: 1.1786731708873743
Energy: 1.2166158336291821
Energy: 1.178673170888164
Energy: 1.216615833629541
Energy: 1.178450382375686
Energy: 1.2166638733985065
Energy: 1.1784503823760448
Energy: 1.2166638733985065
Energy: 1.1784503823744656
Energy: 1.2166638733985065
Energy: 1.6783619344255958
Energy: 1.1307233653562605
Energy: 1.6783619344243754
Energy: 1.1307233653566193
Energy: 1.6783619344243754
Energy: 1.1307233653566193
Energy: 1.1044374529628846
Energy: 1.6970544240772383
Energy: 1.1044374529628846
Energy: 1.6970544240772383
Energy: 1.1044374529633156
Energy: 1.6970544240772383
Energy: 1.1469923160107598
Energy: 1.0708141108335925
Energy: 1.146992316010401
Energy: 1.070814110833951
Energy: 1.1469923160091808
Energy: 1.070814110833951
Energy: 1.0907850922307136
Energy: 1.5071404520557252
Energy: 1.0907850922310727
Energy: 1.5071404520545046
Energy: 1.090785092232293
Energy: 1.5071404520557252
Energy: 1.1237768918839872
Energy: 1.2182388058160856
Energy: 1.1237768918839872
Energy: 1.2182388058219715
Energy: 1.123776891884777
Energy: 1.2182388058286473
Energy: 1.1903919616648548
Energy: 1.0727339138926593
Energy: 1.1903919616652137
Energy: 1.072733913893018
Energy: 1.1903919616652137
Energy: 1.072733913893018
Energy: 1.234893350116495
Energy: 1.1294887333654422
Energy: 1.234893350116495
Energy: 1.1294887333650117
Energy: 1.2348933501161359
Energy: 1.1294887333650117
Energy: 1.1064047064495683
Energy: 1.454015748117654
Energy: 1.1064047064495683
Energy: 1.454015748116075
Energy: 1.1064047064503582
Energy: 1.4540157481172953
Energy: 1.0740634508901492
Energy: 1.103542134165115
Energy: 1.0740634508996245
Energy: 1.103542134165115
Energy: 1.074063450892949
Energy: 1.1035421341655456
Energy: 1.1045183236378424
Energy: 1.436754609761542
Energy: 1.1045183236374116
Energy: 1.4367546097611112
Energy: 1.1045183236382012
Energy: 1.4367546097611112
Energy: 1.2150102294860734
Energy: 1.3893673241830298
Energy: 1.215010229484494
Energy: 1.3893673241830298
Energy: 1.2150102294825558
Energy: 1.3893673241833888
Energy: 1.0562527437609182
Energy: 1.2382066577201256
Energy: 1.056252743761277
Energy: 1.2382066577201256
Energy: 1.0562527437609182
Energy: 1.238206657721274

minimum gb energy = 1.0559641623686735 eV
minimum distance =  2.32258949696527 Angstroms
sigma value = 67


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

Energy: 1.1841353175299236
Energy: 1.117580813281553
Energy: 1.1841353175299236
Energy: 1.1175808132841918
Energy: 1.1841353175299236
Energy: 1.1175808132841918
Energy: 1.1047600898261924
Energy: 1.0850263578859423
Energy: 1.1047600898261924
Energy: 1.0850263578859423
Energy: 1.1047600898288308
Energy: 1.0850263578859423
Energy: 1.684069825689267
Energy: 1.4351989724676555
Energy: 1.684069825689267
Energy: 1.4351989724676555
Energy: 1.684069825689267
Energy: 1.4351989724676555
Energy: 1.1047995718187524
Energy: 1.085031183336793
Energy: 1.1047995718187524
Energy: 1.085031183336793
Energy: 1.1047995718187524
Energy: 1.085031183336793
Energy: 1.1841353175299236
Energy: 1.1175808132841918
Energy: 1.1841353175299236
Energy: 1.1175808132841918
Energy: 1.1841353175299236
Energy: 1.1175808132841918
Energy: 1.1047600898261924
Energy: 1.0850263578859423
Energy: 1.1047600898288308
Energy: 1.0850263578859423
Energy: 1.1047600898261924
Energy: 1.0850263578859423
Energy: 1.0598932718694438
Energy: 1.4351989724676555
Energy: 1.0598932718694438
Energy: 1.4351989724676555
Energy: 1.0598932718694438
Energy: 1.4351989724676555

minimum gb energy = 1.0598932718694438 eV
minimum distance =  2.34060572949239 Angstroms
sigma value = 3


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

Energy: 1.682208095773329
Energy: 1.2683875545844987
Energy: 1.682208095773329
Energy: 1.2683875545844987
Energy: 1.682208095773329
Energy: 1.2683875545844987
Energy: 1.391939339870263
Energy: 1.2371641708495758
Energy: 1.391939339870263
Energy: 1.2371641708495758
Energy: 1.3919393398738538
Energy: 1.2371641708495758
Energy: 1.2766786842694633
Energy: 1.6068394838080995
Energy: 1.2766786842694633
Energy: 1.6068394838080995
Energy: 1.2766786842658726
Energy: 1.6068394838080995
Energy: 1.4858686195860906
Energy: 1.1833427988256715
Energy: 1.4858686195860906
Energy: 1.1833427988256715
Energy: 1.4858686195860906
Energy: 1.1833427988256715
Energy: 1.346980568953886
Energy: 1.427810224126053
Energy: 1.346980568953886
Energy: 1.427810224126053
Energy: 1.346980568953886
Energy: 1.427810224126053
Energy: 1.2701461930487774
Energy: 1.3976238594214616
Energy: 1.2701461930487774
Energy: 1.3976238594214616
Energy: 1.2701461930487774
Energy: 1.3976238594214616
Energy: 1.4413117351670668
Energy: 1.5737121587091678
Energy: 1.4413117351670668
Energy: 1.5737121587091678
Energy: 1.4413117351670668
Energy: 1.5737121587091678
Energy: 1.4479790940372328
Energy: 1.2961276272214002
Energy: 1.4479790940336421
Energy: 1.2961276272214002
Energy: 1.4479790940372328
Energy: 1.2961276272214002
Energy: 1.2664848809435891
Energy: 1.3404540428156115
Energy: 1.2664848809435891
Energy: 1.3404540428156115
Energy: 1.2664848809435891
Energy: 1.3404540428156115
Energy: 1.3929421183862423
Energy: 1.397572675867796
Energy: 1.3929421183862423
Energy: 1.397572675867796
Energy: 1.3929421183862423
Energy: 1.397572675867796
Energy: 1.459171910187027
Energy: 1.4904908296493442
Energy: 1.459171910187027
Energy: 1.4904908296493442
Energy: 1.4591719101906178
Energy: 1.4904908296493442
Energy: 1.2612913423767758
Energy: 1.3215806123494926
Energy: 1.2612913423767758
Energy: 1.3215806123494926
Energy: 1.2612913423767758
Energy: 1.3215806123494926
Energy: 1.2884960088414097
Energy: 1.2809430012231307
Energy: 1.2884960088414097
Energy: 1.2809430012231307
Energy: 1.2884960088414097
Energy: 1.2809430012231307
Energy: 1.3680536105023058
Energy: 1.394344053529123
Energy: 1.3680536105023058
Energy: 1.394344053529123
Energy: 1.3680536105023058
Energy: 1.394344053529123
Energy: 1.5458640999240947
Energy: 1.373365043588666
Energy: 1.545864099920504
Energy: 1.373365043588666
Energy: 1.5458640999240947
Energy: 1.373365043588666
Energy: 1.377754198554421
Energy: 1.3570723601266446
Energy: 1.377754198554421
Energy: 1.3570723601266446
Energy: 1.377754198554421
Energy: 1.3570723601266446
Energy: 1.372398612144486
Energy: 1.2394936636593894
Energy: 1.3723986121480767
Energy: 1.2394936636593894
Energy: 1.372398612144486
Energy: 1.2394936636593894
Energy: 1.2716963830075874
Energy: 1.5266597901665582
Energy: 1.2716963830075874
Energy: 1.5266597901665582
Energy: 1.2716963830111783
Energy: 1.5266597901665582
Energy: 1.538418059611385
Energy: 1.3751235806329685
Energy: 1.5384180596077945
Energy: 1.3751235806329685
Energy: 1.5384180596077945
Energy: 1.3751235806329685
Energy: 1.2616530858632302
Energy: 1.3181072979288584
Energy: 1.2616530858632302
Energy: 1.3181072979253332
Energy: 1.2616530858632302
Energy: 1.3181072979253332
Energy: 1.3405198400157148
Energy: 1.6480572188568583
Energy: 1.3405198400157148
Energy: 1.6480572188568583
Energy: 1.3405198400157148
Energy: 1.6480572188568583
Energy: 1.19308999592444
Energy: 1.5597195056130553
Energy: 1.19308999592444
Energy: 1.559719505616646
Energy: 1.1930899959208494
Energy: 1.5597195056130553
Energy: 1.5216830774110983
Energy: 1.2195649747601378
Energy: 1.5216830774146888
Energy: 1.2195649747601378
Energy: 1.5216830774146888
Energy: 1.2195649747601378
Energy: 1.1976090008849865
Energy: 1.383321275953165
Energy: 1.1976090008849865
Energy: 1.383321275953165
Energy: 1.1976090008813955
Energy: 1.383321275953165
Energy: 1.3544345515841951
Energy: 1.6480716518111207
Energy: 1.3544345515806044
Energy: 1.6480716518111207
Energy: 1.3544345515841951
Energy: 1.6480716518147112
Energy: 1.2810873601482322
Energy: 1.4303016132998783
Energy: 1.2810873601482322
Energy: 1.4303016132998783
Energy: 1.2810873601446418
Energy: 1.4303016132998783
Energy: 1.518837574483994
Energy: 1.362578665193001
Energy: 1.518837574483994
Energy: 1.362578665193001
Energy: 1.518837574483994
Energy: 1.362578665193001
Energy: 1.228493182840591
Energy: 1.188553715779344
Energy: 1.228493182840591
Energy: 1.188553715779344
Energy: 1.228493182840591
Energy: 1.188553715779344
Energy: 1.3656061565357183
Energy: 1.3266245544123847
Energy: 1.365606156539309
Energy: 1.3266245544123847
Energy: 1.3656061565357183
Energy: 1.3266245544123847
Energy: 1.4351015627551402
Energy: 1.2702749958004982
Energy: 1.4351015627551402
Energy: 1.2702749958004982
Energy: 1.4351015627551402
Energy: 1.2702749957969073
Energy: 1.6236127130246902
Energy: 1.3469978590710319
Energy: 1.6236127130246902
Energy: 1.3469978590710319
Energy: 1.6236127130246902
Energy: 1.3469978590710319
Energy: 1.4664903848888375
Energy: 1.2352733431232141
Energy: 1.4664903848888375
Energy: 1.2352733431232141
Energy: 1.4664903848888375
Energy: 1.2352733431232141
Energy: 1.421056298048481
Energy: 1.3170313269143936
Energy: 1.421056298048481
Energy: 1.3170313269143936
Energy: 1.421056298048481
Energy: 1.3170313269143936
Energy: 1.4169374078505284
Energy: 1.3418567792448335
Energy: 1.416937407875663
Energy: 1.3418567792448335
Energy: 1.4169374078684815
Energy: 1.3418567792448335
Energy: 1.447422179017738
Energy: 1.3484776768091984
Energy: 1.447422179017738
Energy: 1.3484776768091984
Energy: 1.447422179017738
Energy: 1.348477676812789
Energy: 1.3730302042854554
Energy: 1.6362509827822997
Energy: 1.3730302042819302
Energy: 1.6362509827822997
Energy: 1.3730302042854554
Energy: 1.6362509827822997
Energy: 1.194733661159745
Energy: 1.3785385058595814
Energy: 1.1947336611561543
Energy: 1.3785385058595814
Energy: 1.194733661159745
Energy: 1.3785385058595814
Energy: 1.6215142743270665
Energy: 1.2627115066262387
Energy: 1.6215142743270665
Energy: 1.2627115066262387
Energy: 1.6215142743234756
Energy: 1.2627115066262387
Energy: 1.2345070911688119
Energy: 1.556205923808157
Energy: 1.2345070911688119
Energy: 1.556205923808157
Energy: 1.2345070911688119
Energy: 1.556205923808157
Energy: 1.360450482061664
Energy: 1.6361794236964522
Energy: 1.360450482061664
Energy: 1.6361794236964522
Energy: 1.360450482061664
Energy: 1.6361794236964522
Energy: 1.2638051715666994
Energy: 1.4004337968536427
Energy: 1.2638051715666994
Energy: 1.4004337968572336
Energy: 1.2638051715666994
Energy: 1.4004337968572336
Energy: 1.7119323301848886
Energy: 1.1912110762900712
Energy: 1.7119323301848886
Energy: 1.1912110762900712
Energy: 1.7119323301848886
Energy: 1.191211076293662
Energy: 1.2443638925365978
Energy: 1.668156905057377
Energy: 1.2443638925330074
Energy: 1.6681569050609677
Energy: 1.2443638925365978
Energy: 1.668156905057377
Energy: 1.50550617722773
Energy: 1.235662999462552
Energy: 1.50550617722773
Energy: 1.235662999462552
Energy: 1.50550617722773
Energy: 1.235662999462552
Energy: 1.62588007125929
Energy: 1.318612746153636
Energy: 1.625880071255699
Energy: 1.3186127461500454
Energy: 1.62588007125929
Energy: 1.3186127461572266
Energy: 1.6341312401273356
Energy: 1.2654985430165413
Energy: 1.634131240130926
Energy: 1.2654985430165413
Energy: 1.634131240130926
Energy: 1.2654985430165413
Energy: 1.3284093357925921
Energy: 1.3956430584263124
Energy: 1.3284093357925921
Energy: 1.3956430584263124
Energy: 1.3284093357925921
Energy: 1.395643058429903
Energy: 1.3218871551129023
Energy: 1.2443178182878323
Energy: 1.3218871551129023
Energy: 1.2443178182878323
Energy: 1.3218871551129023
Energy: 1.2443178182878323
Energy: 1.263830549301244
Energy: 1.4297860173077648
Energy: 1.263830549301244
Energy: 1.4297860173077648
Energy: 1.263830549301244
Energy: 1.4297860173077648
Energy: 1.4717071611989736
Energy: 1.4016369776718485
Energy: 1.4717071611989736
Energy: 1.4016369776754392
Energy: 1.4717071611989736
Energy: 1.4016369776718485
Energy: 1.3611859654991014
Energy: 1.4632043751107147
Energy: 1.3611859654955107
Energy: 1.4632043751107147
Energy: 1.3611859654991014
Energy: 1.4632043751107147

minimum gb energy = 1.1833427988256715 eV
minimum distance =  2.27582815529763 Angstroms
sigma value = 81


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

Energy: 1.3884947165878403
Energy: 1.3285779404696398
Energy: 1.3212027135964368
Energy: 1.3285779404671758
Energy: 1.3884947165868546
Energy: 1.3285779404676685
Energy: 1.2607622054710979
Energy: 1.42755421335457
Energy: 1.2607622054725762
Energy: 1.4275542133560484
Energy: 1.2607622054706051
Energy: 1.4275542133565413
Energy: 1.6115100570359955
Energy: 1.5552523044445659
Energy: 1.5202457494685355
Energy: 1.5552523044450586
Energy: 1.611510057034517
Energy: 1.5552523044450586
Energy: 1.2738107312080447
Energy: 1.455273512005176
Energy: 1.273810731207552
Energy: 1.4552735120032048
Energy: 1.2738107312070592
Energy: 1.4552735120032048
Energy: 1.31794548466185
Energy: 1.1991474732588923
Energy: 1.3179454846623428
Energy: 1.1991474732574137
Energy: 1.3179454846633285
Energy: 1.199147473256921
Energy: 1.2437571442287831
Energy: 1.1924625472152828
Energy: 1.243757144229276
Energy: 1.1924625472162684
Energy: 1.2437571442297688
Energy: 1.1924625472157755
Energy: 1.1715693155750215
Energy: 1.1924372865878285
Energy: 1.1715693155740359
Energy: 1.1924372865858572
Energy: 1.1715693155720646
Energy: 1.1924372865863502
Energy: 1.3378693310856786
Energy: 1.2629948963194408
Energy: 1.337864516459177
Energy: 1.2629948963179625
Energy: 1.3378693310861713
Energy: 1.2629948963174698
Energy: 1.5228048660044418
Energy: 1.4026605125849507
Energy: 1.5228048660044418
Energy: 1.4026605125849507
Energy: 1.5228048660054274
Energy: 1.4026605125849507
Energy: 1.389478710926459
Energy: 1.7743914646999652
Energy: 1.3894787109274447
Energy: 1.7743914646999652
Energy: 1.3894787109269517
Energy: 1.7743914646999652
Energy: 1.2608361806714379
Energy: 1.234281434051017
Energy: 1.2608361806714379
Energy: 1.2342814340529884
Energy: 1.2608361806729163
Energy: 1.2342814340520027
Energy: 1.1923870166864754
Energy: 1.2443333281156503
Energy: 1.1923870166859825
Energy: 1.2443333281466527
Energy: 1.1923870166854897
Energy: 1.2443333281176217
Energy: 1.2611152896537168
Energy: 1.320006680362443
Energy: 1.2611152896537168
Energy: 1.320006680360472
Energy: 1.2611152896532238
Energy: 1.320006680360472
Energy: 1.404149545656124
Energy: 1.5544798585751298
Energy: 1.4041495456580952
Energy: 1.5544798585751298
Energy: 1.4041495456580952
Energy: 1.5544798585756228
Energy: 1.599427662649131
Energy: 1.2151250357026606
Energy: 1.5994276626486381
Energy: 1.2151250357031533
Energy: 1.599427662649131
Energy: 1.2151250357031533
Energy: 1.3194518472982832
Energy: 1.196161807694282
Energy: 1.3194518473007473
Energy: 1.1961618076932963
Energy: 1.3194518472997616
Energy: 1.1961618076932963
Energy: 1.3306146662410603
Energy: 1.1919619003757815
Energy: 1.3306146662425389
Energy: 1.1919619003777528
Energy: 1.330614666242046
Energy: 1.1919619003777528
Energy: 1.2316194542217687
Energy: 1.342717402079218
Energy: 1.231623572575184
Energy: 1.342717402079218
Energy: 1.2316194542227543
Energy: 1.342717402079218
Energy: 1.1950850176305017
Energy: 1.2460176429605307
Energy: 1.1950850176295162
Energy: 1.2460176429349046
Energy: 1.195085017630009
Energy: 1.2460176429620091
Energy: 1.4536781608131544
Energy: 1.469571477493007
Energy: 1.4536781608161111
Energy: 1.4695714774934998
Energy: 1.4536781608166038
Energy: 1.469571477493007
Energy: 1.1966918723916495
Energy: 1.3210637736619806
Energy: 1.1966918723960849
Energy: 1.3210637736629662
Energy: 1.1966918723926352
Energy: 1.3210637736629662
Energy: 1.2584751104714846
Energy: 1.2354123639400871
Energy: 1.1918458097065407
Energy: 1.235412363937623
Energy: 1.2584751104714846
Energy: 1.235412363937623
Energy: 1.2583510650394665
Energy: 1.1714989643172955
Energy: 1.1919737663156524
Energy: 1.1714989643177884
Energy: 1.2583510650394665
Energy: 1.1714989643177884
Energy: 1.2630477185352798
Energy: 1.333904437033736
Energy: 1.263047718537251
Energy: 1.3339044370307793
Energy: 1.2630477185377438
Energy: 1.3339044370307793
Energy: 1.4026364622318699
Energy: 1.5248120339102005
Energy: 1.4026364622313772
Energy: 1.5248120339146356
Energy: 1.4026364622323626
Energy: 1.5248120339151285
Energy: 1.1945789328193428
Energy: 1.615763863417476
Energy: 1.1945789328218068
Energy: 1.615763863417476
Energy: 1.1945789328208212
Energy: 1.615763863417476
Energy: 1.2316913782448151
Energy: 1.2739897659349133
Energy: 1.2316913782433365
Energy: 1.2739897659344206
Energy: 1.231691378242351
Energy: 1.2739897659354062
Energy: 1.3356134680197926
Energy: 1.192115356644215
Energy: 1.3356134680197926
Energy: 1.1921153566432294
Energy: 1.335613468018314
Energy: 1.1921153566437224
Energy: 1.318643349491502
Energy: 1.260917633734887
Energy: 1.3186175466440773
Energy: 1.2609176337343941
Energy: 1.318643349491502
Energy: 1.2609176337343941
Energy: 1.5559827542018343
Energy: 1.2143563712243846
Energy: 1.5559827542023272
Energy: 1.2143563712253702
Energy: 1.5559827542023272
Energy: 1.2143563712253702
Energy: 1.455467638027301
Energy: 1.5972156326975138
Energy: 1.455467638027301
Energy: 1.5972156326940643
Energy: 1.4554676380277938
Energy: 1.597215632694557
Energy: 1.1950580352489713
Energy: 1.3324922276598556
Energy: 1.1950580352484783
Energy: 1.3324922276583773
Energy: 1.1950580352465072
Energy: 1.3324922276578846
Energy: 1.1922680015845408
Energy: 1.244386007037086
Energy: 1.1922680015845408
Energy: 1.2443860070361004
Energy: 1.192268001583555
Energy: 1.244386007036593
Energy: 1.1948442521720049
Energy: 1.169872555503536
Energy: 1.1948442521705265
Energy: 1.1698725555000864
Energy: 1.1948442521695408
Energy: 1.1698725555000864
Energy: 1.4304468454275585
Energy: 1.7820735150330602
Energy: 1.4304402938805127
Energy: 1.7820735150320743
Energy: 1.4304468454265729
Energy: 1.7820735150320743
Energy: 1.4663513826576153
Energy: 1.4537476492565082
Energy: 1.4663513826571226
Energy: 1.4537476492560155
Energy: 1.466351382658601
Energy: 1.4537476492560155
Energy: 1.3183880389846652
Energy: 1.1955728368271668
Energy: 1.3183880389841725
Energy: 1.1955728368281524
Energy: 1.3183880389831868
Energy: 1.195572836826181
Energy: 1.2360986490496928
Energy: 1.192448895664013
Energy: 1.2360986490487071
Energy: 1.192448895665984
Energy: 1.2360986490467358
Energy: 1.192448895666477

minimum gb energy = 1.1698725555000864 eV
minimum distance =  2.37075453421719 Angstroms
sigma value = 43


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

Energy: 1.5389576683995667
Energy: 1.2915944461614326
Energy: 1.5389576683989614
Energy: 1.2915944461614326
Energy: 1.5389576683995667
Energy: 1.291594446162038
Energy: 1.4269072028872118
Energy: 1.2249779301463022
Energy: 1.4269072028866063
Energy: 1.2249779301463022
Energy: 1.4269072028853957
Energy: 1.224977930147513
Energy: 1.371737906119453
Energy: 1.5912970616953037
Energy: 1.371737906119453
Energy: 1.5912970616953037
Energy: 1.3717379061200585
Energy: 1.5912970616953037
Energy: 1.5168538338644915
Energy: 1.2765389744204614
Energy: 1.5168538338644915
Energy: 1.2765389744204614
Energy: 1.5168538338644915
Energy: 1.276538974419856
Energy: 1.3388850922011295
Energy: 1.3159727754286075
Energy: 1.3388850922005242
Energy: 1.3159727754286075
Energy: 1.3388850922005242
Energy: 1.3159727754292128
Energy: 1.3816014737897928
Energy: 1.3127972522661335
Energy: 1.381601473790398
Energy: 1.3127972522667388
Energy: 1.381601473790398
Energy: 1.3127972522667388
Energy: 1.3327222877841176
Energy: 1.472697006601125
Energy: 1.3327222877853282
Energy: 1.4726970066017304
Energy: 1.3327222877841176
Energy: 1.4726970066017304
Energy: 1.269777122966038
Energy: 1.3738734243599877
Energy: 1.2697771229654324
Energy: 1.3738734243599877
Energy: 1.2697771229648271
Energy: 1.3738734243599877
Energy: 1.435828260304779
Energy: 1.3976080479378459
Energy: 1.435828260304779
Energy: 1.3976080479378459
Energy: 1.435828260304779
Energy: 1.3976080479378459
Energy: 1.2694971518347167
Energy: 1.5043311471092555
Energy: 1.2694971518347167
Energy: 1.50433114710865
Energy: 1.2694971518347167
Energy: 1.50433114710865
Energy: 1.5140091788869128
Energy: 1.3207168536579739
Energy: 1.514009178887518
Energy: 1.3207168536573684
Energy: 1.514009178887518
Energy: 1.3207168536585792
Energy: 1.2695581035030505
Energy: 1.3371046892066747
Energy: 1.2695581035012347
Energy: 1.3371046895636827
Energy: 1.2695581035024452
Energy: 1.3371046895546026
Energy: 1.375209010651138
Energy: 1.3127003539891853
Energy: 1.3752090106505328
Energy: 1.3127003539891853
Energy: 1.3752090106517436
Energy: 1.3127003539891853
Energy: 1.2028688138063908
Energy: 1.533857762872095
Energy: 1.2028688138051802
Energy: 1.5338577628727004
Energy: 1.2028688138051802
Energy: 1.533857762872095
Energy: 1.3788766258767287
Energy: 1.3205474268899438
Energy: 1.3788766258767287
Energy: 1.3205474268893385
Energy: 1.3788766258767287
Energy: 1.3205474268893385
Energy: 1.4726260275412064
Energy: 1.375873618829602
Energy: 1.4726260275412064
Energy: 1.3758736188289964
Energy: 1.4726260275412064
Energy: 1.3758736188289964
Energy: 1.388691077843879
Energy: 1.2261949781661454
Energy: 1.3886910778450896
Energy: 1.2261949781661454
Energy: 1.388691077844484
Energy: 1.2261949781661454
Energy: 1.5037911061543583
Energy: 1.2962033290008583
Energy: 1.5037911061543583
Energy: 1.2962033290014636
Energy: 1.5037911061543583
Energy: 1.2962033290014636
Energy: 1.4571110749121325
Energy: 1.4098141569375642
Energy: 1.4571110749121325
Energy: 1.4098141569375642
Energy: 1.457111074910922
Energy: 1.4098141569369589
Energy: 1.3885985568137713
Energy: 1.4244658118204088
Energy: 1.3885985568137713
Energy: 1.4244658118198308
Energy: 1.3885985568137713
Energy: 1.4244658118204088
Energy: 1.2965193295166437
Energy: 1.4212610346596322
Energy: 1.2965193295172488
Energy: 1.4212610346596322
Energy: 1.2965193295166437
Energy: 1.4212610346596322
Energy: 1.463704298560924
Energy: 1.3522445511901828
Energy: 1.463704298560924
Energy: 1.3522445511901828
Energy: 1.463704298560924
Energy: 1.3522445511901828
Energy: 1.2032619408976044
Energy: 1.4517391352721096
Energy: 1.20326194089821
Energy: 1.4517391352727151
Energy: 1.2032619408976044
Energy: 1.4517391352721096
Energy: 1.3797435245090375
Energy: 1.4865694001825709
Energy: 1.3797435245096428
Energy: 1.4865694001825709
Energy: 1.3797435245090375
Energy: 1.4865694001831764
Energy: 1.2694049536255367
Energy: 1.2720777018508045
Energy: 1.2694049536255367
Energy: 1.272077701852015
Energy: 1.2694049536255367
Energy: 1.2720777018514098
Energy: 1.544170740067171
Energy: 1.3688625911041166
Energy: 1.544170740067171
Energy: 1.3688625911047216
Energy: 1.544170740067171
Energy: 1.3688625911041166
Energy: 1.325753477932402
Energy: 1.4302936854102315
Energy: 1.325753477932402
Energy: 1.4302936854102315
Energy: 1.325753477932402
Energy: 1.4302936854102315
Energy: 1.435248756657274
Energy: 1.3204781139957051
Energy: 1.435248756657879
Energy: 1.3204781139963104
Energy: 1.435248756657879
Energy: 1.3204781139963104
Energy: 1.2693319838064905
Energy: 1.3729498875817598
Energy: 1.2693319838064905
Energy: 1.3729498875817598
Energy: 1.2693319838064905
Energy: 1.3729498875823654
Energy: 1.3579097052111273
Energy: 1.3897753003488125
Energy: 1.3579097052117326
Energy: 1.3897753003488125
Energy: 1.3579097052111273
Energy: 1.3897753003488125
Energy: 1.4003772787806712
Energy: 1.3127417759683757
Energy: 1.4003772787806712
Energy: 1.3127417759683757
Energy: 1.4003772787812767
Energy: 1.3127417759677704

minimum gb energy = 1.2028688138051802 eV
minimum distance =  2.31637770124917 Angstroms
sigma value = 57


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

Energy: 1.462468912262316
Energy: 1.292056143242904
Energy: 1.37874027287571
Energy: 1.2920561432421203
Energy: 1.4624689122630998
Energy: 1.2920561432421203
Energy: 1.4067468842370088
Energy: 1.23598882074592
Energy: 1.4067468842370088
Energy: 1.2359888207467036
Energy: 1.4067468842370088
Energy: 1.2359888207467036
Energy: 1.4939790724645028
Energy: 1.4567424351054221
Energy: 1.4353246053768451
Energy: 1.4567424351062055
Energy: 1.4939790724652864
Energy: 1.4567424351062055
Energy: 1.679019850489878
Energy: 1.4082052809110654
Energy: 1.6790198504906615
Energy: 1.4082052809102814
Energy: 1.679019850489878
Energy: 1.4082052809110654
Energy: 1.7046447524023072
Energy: 1.3263644404580721
Energy: 1.7046447524030912
Energy: 1.3263644404596397
Energy: 1.7046447524030912
Energy: 1.3263644404596397
Energy: 1.4846867244883062
Energy: 1.3952024079851424
Energy: 1.48468672448909
Energy: 1.3028407593390245
Energy: 1.48468672448909
Energy: 1.395202407985926
Energy: 1.450453805244343
Energy: 1.4946523901101323
Energy: 1.4504538052435592
Energy: 1.4946523901093483
Energy: 1.4504538052435592
Energy: 1.4946523901093483
Energy: 1.3797247200295815
Energy: 1.2932522255331187
Energy: 1.3797247200287976
Energy: 1.293252225531551
Energy: 1.3797247200287976
Energy: 1.293252225531551
Energy: 1.4569751642792643
Energy: 1.238722370952698
Energy: 1.4569751642792643
Energy: 1.2387223709519142
Energy: 1.4569751642800484
Energy: 1.2387223709519142
Energy: 1.2280833883818398
Energy: 1.3007558070526162
Energy: 1.2280846984955234
Energy: 1.3007558070526162
Energy: 1.2280833883810562
Energy: 1.3007558070526162
Energy: 1.3549510580528403
Energy: 1.4095148974303873
Energy: 1.3549510580520567
Energy: 1.4095148974296035
Energy: 1.3549510580512731
Energy: 1.4095148974296035
Energy: 1.59025758895307
Energy: 1.5157541197868012
Energy: 1.5902575889515023
Energy: 1.5157541197868012
Energy: 1.5902575889507187
Energy: 1.5157541197875848
Energy: 1.4077799235911959
Energy: 1.2386596661030238
Energy: 1.4077799235904123
Energy: 1.2386596661022402
Energy: 1.4077799235911959
Energy: 1.2386596661022402
Energy: 1.4475712610222768
Energy: 1.2446760505143029
Energy: 1.4598366541575472
Energy: 1.2446760505143029
Energy: 1.4475712610230607
Energy: 1.2446760505143029
Energy: 1.4496548686972108
Energy: 1.400840440911381
Energy: 1.3429100906031133
Energy: 1.4008404409105972
Energy: 1.4496548686948594
Energy: 1.4008404409105972
Energy: 1.4277424859400956
Energy: 1.3485535505956932
Energy: 1.4277424859393115
Energy: 1.3485535505933417
Energy: 1.4277424859393115
Energy: 1.3485535505941255
Energy: 1.2276308189511282
Energy: 1.3020136648385217
Energy: 1.2276904133569433
Energy: 1.3020136648393055
Energy: 1.2276308189511282
Energy: 1.3020136648393055
Energy: 1.3520345548896864
Energy: 1.4271633644998327
Energy: 1.3520345548896864
Energy: 1.259404022057486
Energy: 1.3520345548881187
Energy: 1.427163364502184
Energy: 1.2275895382139994
Energy: 1.3020243279259645
Energy: 1.227589538215567
Energy: 1.3020243279259645
Energy: 1.2275895382147834
Energy: 1.302024327926748
Energy: 1.4938415891634647
Energy: 1.348441103723985
Energy: 1.4938415891634647
Energy: 1.3484411037255168
Energy: 1.4938415891626808
Energy: 1.3484411037255168
Energy: 1.3424934711570116
Energy: 1.2420111710028303
Energy: 1.3424934711570116
Energy: 1.2420111710036141
Energy: 1.3424934711562277
Energy: 1.2420111710036141
Energy: 1.4598518959912041
Energy: 1.3586097225033946
Energy: 1.459851895991988
Energy: 1.3586097225026108
Energy: 1.4598518959896367
Energy: 1.3586097225026108
Energy: 1.491853602655065
Energy: 1.235389285211509
Energy: 1.4921821347010478
Energy: 1.2353892852130763
Energy: 1.4918536026558487
Energy: 1.2353892852130763
Energy: 1.5703983635744048
Energy: 1.4656197930624906
Energy: 1.570406340232626
Energy: 1.4656197930617068
Energy: 1.5703983635751886
Energy: 1.4656197930617068

minimum gb energy = 1.2275895382139994 eV
minimum distance =  2.27131113605569 Angstroms
sigma value = 17


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

Energy: 1.6470793409660678
Energy: 1.1809176713488552
Energy: 1.6470793409660678
Energy: 1.1809176713488552
Energy: 1.6470793409660678
Energy: 1.1809176713488552
Energy: 1.3207364987703099
Energy: 1.2746026568829285
Energy: 1.3207364987703099
Energy: 1.2746026568818198
Energy: 1.3207364987703099
Energy: 1.2746026568818198
Energy: 1.2770647841473497
Energy: 1.3213432036926303
Energy: 1.2770647841484581
Energy: 1.3213432036915216
Energy: 1.2770647841473497
Energy: 1.3213432036926303
Energy: 1.316230232674994
Energy: 1.2839272988123576
Energy: 1.316230232674994
Energy: 1.2839272988123576
Energy: 1.316230232674994
Energy: 1.2839272988123576
Energy: 1.2984524026575515
Energy: 1.4715873445904324
Energy: 1.2984524026575515
Energy: 1.471587344589324
Energy: 1.2984524026575515
Energy: 1.4715873445904324
Energy: 1.2082279279976866
Energy: 1.282573507889027
Energy: 1.208227927998795
Energy: 1.282573507889027
Energy: 1.2082279279976866
Energy: 1.282573507889027
Energy: 1.2774098397756573
Energy: 1.3301196238453152
Energy: 1.2774098397756573
Energy: 1.3301196238453152
Energy: 1.277409839777874
Energy: 1.3301196238453152
Energy: 1.316522513405263
Energy: 1.304704458398248
Energy: 1.316522513405263
Energy: 1.3047044584004648
Energy: 1.316522513405263
Energy: 1.304704458401573
Energy: 1.2447857767803452
Energy: 1.1254688884236557
Energy: 1.2447857767803452
Energy: 1.1254688884236557
Energy: 1.2447857767803452
Energy: 1.1254688884236557
Energy: 1.1824397892080398
Energy: 1.2583831271769197
Energy: 1.1824397892069314
Energy: 1.2583831271758112
Energy: 1.1824397892058232
Energy: 1.2583831271758112
Energy: 1.2017402536458457
Energy: 1.293429646485041
Energy: 1.2017402536436792
Energy: 1.2934296464861492
Energy: 1.2017402536436792
Energy: 1.293429646485041
Energy: 1.2623209756617608
Energy: 1.255663626859307
Energy: 1.2623209756606524
Energy: 1.2556636268581987
Energy: 1.2623209756617608
Energy: 1.2556636268570902
Energy: 1.0693522036316407
Energy: 1.2824412735936834
Energy: 1.0693522036316407
Energy: 1.2824412735925748
Energy: 1.0693522036316407
Energy: 1.2824412735925748
Energy: 1.2018900730038857
Energy: 1.2827642149385703
Energy: 1.2018900730027773
Energy: 1.2827642149385703
Energy: 1.2018900730038857
Energy: 1.2827642149385703
Energy: 1.2076524437555565
Energy: 1.4526797374969953
Energy: 1.2076524437555565
Energy: 1.4526797374969953
Energy: 1.2076524437555565
Energy: 1.4526797374969953
Energy: 1.2069879219084345
Energy: 1.4942852456826965
Energy: 1.2069879219095432
Energy: 1.4942852456826965
Energy: 1.2069879219106514
Energy: 1.4942852456826965
Energy: 1.199656976142276
Energy: 1.2826601412372882
Energy: 1.199656976142276
Energy: 1.2826601412372882
Energy: 1.199656976142276
Energy: 1.2826601412372882

minimum gb energy = 1.0693522036316407 eV
minimum distance =  2.31536478243347 Angstroms
sigma value = 17


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

Energy: 1.1959415623885898
Energy: 1.068998618618597
Energy: 1.1959415623890177
Energy: 1.068998618618597
Energy: 1.1959415623894456
Energy: 1.068998618618597
Energy: 1.27850855571936
Energy: 1.1932749653489312
Energy: 1.2785085557202163
Energy: 1.08683453824233
Energy: 1.2785085557202163
Energy: 1.1932749652980341
Energy: 1.1862992288959118
Energy: 1.2129916069182949
Energy: 1.1862992288963399
Energy: 1.2129916069165827
Energy: 1.1862992288963399
Energy: 1.212991606919151
Energy: 1.1138171146780511
Energy: 1.1832020861059853
Energy: 1.1138171146806193
Energy: 1.1832020861059853
Energy: 1.1138171146763387
Energy: 1.1832020861059853
Energy: 1.4889081455572954
Energy: 1.1969595157966484
Energy: 1.4889081455568671
Energy: 1.1969595157962205
Energy: 1.4889081455568671
Energy: 1.1969595157966484
Energy: 1.1431758327343207
Energy: 1.120573349590876
Energy: 1.1431758327347485
Energy: 1.0831242086818498
Energy: 1.1431758327343207
Energy: 1.1205733495900199
Energy: 1.0804901195183734
Energy: 1.0855065839585805
Energy: 1.0804901195209415
Energy: 1.0855065839585805
Energy: 1.0804901195213696
Energy: 1.0855065839594367
Energy: 1.379202215382774
Energy: 1.347773555970422
Energy: 1.3792022153832022
Energy: 1.3477735559708501
Energy: 1.379202215382774
Energy: 1.3477735559708501
Energy: 1.1217210774173039
Energy: 1.1356135321687402
Energy: 1.1217210774177317
Energy: 1.1356135321670282
Energy: 1.1217210774181599
Energy: 1.1356135321678842
Energy: 1.0821890509506458
Energy: 0.9832191424908591
Energy: 1.0821890509506458
Energy: 0.9832191424900031
Energy: 1.0821890509502174
Energy: 0.9832191424900031
Energy: 1.0008924044052956
Energy: 1.3188047594959513
Energy: 1.0008924044022993
Energy: 1.3188047594959513
Energy: 1.0008924044040115
Energy: 1.3188047594959513
Energy: 1.18097340022935
Energy: 1.2662976201194194
Energy: 1.18097340022935
Energy: 1.2662976201198473
Energy: 1.18097340022935
Energy: 1.2662976201198473
Energy: 1.2675515160372324
Energy: 1.2400998756855914
Energy: 1.2675515160372324
Energy: 1.2400998756851633
Energy: 1.2675515160372324
Energy: 1.2400998756851633
Energy: 1.2664063724699075
Energy: 1.1967462516844702
Energy: 1.2664063724694794
Energy: 1.1967462516844702
Energy: 1.2664063724694794
Energy: 1.1967462516848983
Energy: 1.1652722753378864
Energy: 1.1740145348107067
Energy: 1.1652722753387426
Energy: 1.1740145348107067
Energy: 1.1652722753378864
Energy: 1.1740145348107067
Energy: 1.208757012558449
Energy: 1.2527287963445162
Energy: 1.2087570125575928
Energy: 1.2527287963445162
Energy: 1.208757012558021
Energy: 1.2527287963445162
Energy: 1.100892399891837
Energy: 1.1300697079547695
Energy: 1.100892399891409
Energy: 1.1300697079547695
Energy: 1.100892399891837
Energy: 1.1300697079551978
Energy: 1.144301748074336
Energy: 1.3716336030254654
Energy: 1.144301748074336
Energy: 1.3716336030254654
Energy: 1.144301748073052
Energy: 1.3716336030254654
Energy: 1.1067339173172177
Energy: 1.4908249079937812
Energy: 1.1067339173155055
Energy: 1.4908249079933533
Energy: 1.1067339173167894
Energy: 1.4908249079933533
Energy: 1.1000575905984114
Energy: 0.9845596997516235
Energy: 1.1000575905971273
Energy: 0.9845596997520515
Energy: 1.1000575905975556
Energy: 0.9845596997520515
Energy: 1.1068043201797833
Energy: 1.4907502428263173
Energy: 1.1068043201797833
Energy: 1.4907502428267454
Energy: 1.1068043201784994
Energy: 1.4907502428258894
Energy: 1.1440013653359153
Energy: 1.3716510203138872
Energy: 1.1440013653380554
Energy: 1.3716510203143155
Energy: 1.1440013653363432
Energy: 1.3716510203143155
Energy: 1.1010768494985754
Energy: 1.1300560412337288
Energy: 1.1010768494981475
Energy: 1.1300560412337288
Energy: 1.1010768494990038
Energy: 1.1300560412337288
Energy: 1.2087071253676416
Energy: 1.2058173979367597
Energy: 1.2087071253680697
Energy: 1.2058173979367597
Energy: 1.2087071253680697
Energy: 1.2058173979359035
Energy: 1.1652535292445767
Energy: 1.1740115128278616
Energy: 1.1652535292458608
Energy: 1.1740115128282895
Energy: 1.1652535292450046
Energy: 1.1740115128287179
Energy: 1.2664405311182325
Energy: 1.2020487287841213
Energy: 1.2664405311182325
Energy: 1.2020487287836934
Energy: 1.2664405311178042
Energy: 1.2020487287841213
Energy: 1.267324110086966
Energy: 1.2402661218140392
Energy: 1.267324110085682
Energy: 1.2402661218140392
Energy: 1.2673241100861101
Energy: 1.2402661218140392
Energy: 1.1903077074786175
Energy: 1.2664776553707364
Energy: 1.1903077074786175
Energy: 1.2664776553711645
Energy: 1.1903077074786175
Energy: 1.2664776553711645
Energy: 1.0011772905443432
Energy: 1.318967700722149
Energy: 1.0011772905409189
Energy: 1.318967700722149
Energy: 1.001177290542203
Energy: 1.318967700722149
Energy: 1.0817886746710417
Energy: 0.9836103758973284
Energy: 1.0817886746710417
Energy: 0.9836103758973284
Energy: 1.0817886746710417
Energy: 0.9836103758964723
Energy: 1.1215934335635767
Energy: 1.1353319745514703
Energy: 1.1215934335635767
Energy: 1.1353319745510422
Energy: 1.1215934335631488
Energy: 1.1353319745506143
Energy: 1.3793059611094227
Energy: 1.347672694710333
Energy: 1.3793059611094227
Energy: 1.3476726947107613
Energy: 1.3793059611094227
Energy: 1.347672694710333
Energy: 1.0805135435086024
Energy: 1.0856211158810067
Energy: 1.0805135435086024
Energy: 1.0856211158822908
Energy: 1.0805135435090305
Energy: 1.085621115883147
Energy: 1.1432021958344483
Energy: 1.047806856358759
Energy: 1.1432021958353045
Energy: 1.047806856359187
Energy: 1.1432021958353045
Energy: 1.047806856358759
Energy: 1.4891313687371015
Energy: 1.1966917867263007
Energy: 1.4891313687371015
Energy: 1.1966917867271567
Energy: 1.4891313687371015
Energy: 1.1966917867275846
Energy: 1.1218647493375944
Energy: 1.1603954750791288
Energy: 1.1218647493393064
Energy: 1.1603954750795569
Energy: 1.1218647493371663
Energy: 1.1603954750795569
Energy: 1.186439822788752
Energy: 1.2131524914785627
Energy: 1.186439822787896
Energy: 1.2131524914777065
Energy: 1.1864398227883242
Energy: 1.2131524914785627
Energy: 1.2780330519053993
Energy: 1.0479541724155548
Energy: 1.2780330519049712
Energy: 1.0479541724142707
Energy: 1.2780330519049712
Energy: 1.0479541724146986
Energy: 1.1959415623873055
Energy: 1.0689986186164566
Energy: 1.1959415623873055
Energy: 1.0689986186164566
Energy: 1.1959415623881615
Energy: 1.0689986186160287
Energy: 1.27850855571936
Energy: 1.250157604466748
Energy: 1.278508555718504
Energy: 1.250157604466748
Energy: 1.27850855571936
Energy: 1.250157604466748
Energy: 1.1862992288963399
Energy: 1.2129916069165827
Energy: 1.1862992288963399
Energy: 1.2129916069161548
Energy: 1.1862992288963399
Energy: 1.2129916069157267
Energy: 1.1138171146746267
Energy: 1.129935109153281
Energy: 1.113817114678907
Energy: 1.129935109153281
Energy: 1.113817114675483
Energy: 1.129935109153281
Energy: 1.4889081455585795
Energy: 1.1969595157966484
Energy: 1.4889081455590076
Energy: 1.1969595157975044
Energy: 1.4889081455590076
Energy: 1.1969595157966484

minimum gb energy = 0.9832191424900031 eV
minimum distance =  2.28010567582083 Angstroms
sigma value = 57


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

Energy: 1.0972834636862379
Energy: 0.9886345462624403
Energy: 1.097283463685541
Energy: 0.9886345462624403
Energy: 1.0972834636827533
Energy: 0.9886345462631372
Energy: 1.1346041307339094
Energy: 1.131146698362081
Energy: 1.1346041307339094
Energy: 1.131146698363475
Energy: 1.1346041307346064
Energy: 1.131146698363475
Energy: 1.1443385639172146
Energy: 1.1310268704102258
Energy: 1.1443385639172146
Energy: 1.1310268704102258
Energy: 1.1443385639172146
Energy: 1.1310268704102258
Energy: 1.1429937273754824
Energy: 1.0743128250584326
Energy: 1.1429937273754824
Energy: 1.0743128250584326
Energy: 1.1429937273754824
Energy: 1.0743128250584326
Energy: 1.3291307454693266
Energy: 1.1011671607311677
Energy: 1.3291307454700234
Energy: 1.1011671607325617
Energy: 1.3291307454693266
Energy: 1.1011671607318645
Energy: 1.0718434898998428
Energy: 0.974176220082844
Energy: 1.0718434898984488
Energy: 0.974176220082844
Energy: 1.0718434898991458
Energy: 0.974176220082844
Energy: 1.272068003147533
Energy: 1.042994455487755
Energy: 1.2720680031447456
Energy: 1.042994455487755
Energy: 1.2720680031454423
Energy: 1.042994455487755
Energy: 1.2572459462199737
Energy: 1.2608984630020044
Energy: 1.2572459462185799
Energy: 1.2608984630020044
Energy: 1.2572459462192769
Energy: 1.2608984630020044
Energy: 0.9911439438758106
Energy: 0.9764245189005657
Energy: 0.9911439438772045
Energy: 0.9764245188991717
Energy: 0.9911439438765076
Energy: 0.9764245188998686
Energy: 1.1223545266297128
Energy: 1.0072469608489187
Energy: 1.1223545266304098
Energy: 1.0072469608496157
Energy: 1.1223545266290158
Energy: 1.007246960846828
Energy: 1.275052510994669
Energy: 1.2732109736068304
Energy: 1.275052510994669
Energy: 1.2732109736075272
Energy: 1.275052510994669
Energy: 1.2732109736068304
Energy: 1.0295178222965926
Energy: 1.2670991700101422
Energy: 1.0295178222965926
Energy: 1.2670991700101422
Energy: 1.0295178222972896
Energy: 1.2670991700094454
Energy: 1.1223216048708846
Energy: 1.1377587544165648
Energy: 1.1223216048715818
Energy: 1.1377587544165648
Energy: 1.1223216048715818
Energy: 1.1377587544165648
Energy: 1.2675579055680026
Energy: 1.1493999612947965
Energy: 1.2675579055680026
Energy: 1.1493999612947965
Energy: 1.2675579055680026
Energy: 1.1493999612940995
Energy: 1.1002013141038
Energy: 1.3476386291322624
Energy: 1.1002013141051943
Energy: 1.3476386291322624
Energy: 1.1002013141044973
Energy: 1.3476386291322624
Energy: 1.157335592805867
Energy: 1.150184032180104
Energy: 1.157335592806564
Energy: 1.1501840321794072
Energy: 1.157335592805867
Energy: 1.1501840321794072
Energy: 1.1745467721326759
Energy: 1.1278412376539397
Energy: 1.1745467721319789
Energy: 1.1278412376539397
Energy: 1.1745467721326759
Energy: 1.1278412376539397
Energy: 1.1892173919228457
Energy: 1.1851619731291319
Energy: 1.1892173919235425
Energy: 1.1851619731291319
Energy: 1.1892173919221487
Energy: 1.1851619731291319
Energy: 1.1279359336120411
Energy: 1.1763118318223469
Energy: 1.1279359336113444
Energy: 1.1763118318223469
Energy: 1.1279359336113444
Energy: 1.1763118318223469
Energy: 1.129805485633709
Energy: 1.0756161012873702
Energy: 1.129805485632315
Energy: 1.0756161012873702
Energy: 1.129805485632315
Energy: 1.0756161012873702
Energy: 1.0798196693546875
Energy: 1.267308895853123
Energy: 1.0798196693518998
Energy: 1.267308895854517
Energy: 1.0798196693539908
Energy: 1.267308895854517
Energy: 0.9295669158528135
Energy: 1.3643468517085666
Energy: 0.9295669158521166
Energy: 1.3643468517078694
Energy: 0.9295669158521166
Energy: 1.3643468517085666
Energy: 1.017543112091374
Energy: 1.0288202447428842
Energy: 1.017543112092768
Energy: 1.0288202447428842
Energy: 1.017543112092071
Energy: 1.0288202447428842
Energy: 1.0173546775403726
Energy: 1.3842026514760644
Energy: 1.0173546775396758
Energy: 1.3842026514767614
Energy: 1.0173546775403726
Energy: 1.3842026514753674
Energy: 1.2119947557666417
Energy: 1.2746745134172648
Energy: 1.2119947557666417
Energy: 1.274674513416568
Energy: 1.2119947557673385
Energy: 1.274674513416568
Energy: 0.9908159036815644
Energy: 1.0281217305037453
Energy: 0.9908159036822614
Energy: 1.0281217305037453
Energy: 0.9908159036808674
Energy: 1.0281217305030486
Energy: 0.9280587457253058
Energy: 1.1760243563409818
Energy: 0.9280587457253058
Energy: 1.1760243563416786
Energy: 0.9280587457253058
Energy: 1.1760243563416786

minimum gb energy = 0.9280587457253058 eV
minimum distance =  2.28422808609873 Angstroms
sigma value = 43


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

Energy: 1.206787199742603
Energy: 0.8943468080992837
Energy: 1.2067871997415873
Energy: 0.8943468080992837
Energy: 1.206787199742095
Energy: 0.8943468080992837
Energy: 0.9809288374418303
Energy: 1.0264247807353692
Energy: 0.9809288374408146
Energy: 1.0264247807358773
Energy: 0.9809288374413225
Energy: 1.0264247807363849
Energy: 0.9672216875069979
Energy: 1.0267152038037486
Energy: 0.9672216875069979
Energy: 1.0267152038037486
Energy: 0.9672216875069979
Energy: 1.0267152038037486
Energy: 1.148782524658218
Energy: 0.9415573370676056
Energy: 1.148782524658218
Energy: 0.9415573370676056
Energy: 1.1487825246587258
Energy: 0.9415573370676056
Energy: 1.123098261696242
Energy: 0.981876893306333
Energy: 1.1230982616967495
Energy: 0.981876893306333
Energy: 1.123098261695734
Energy: 0.981876893306333
Energy: 0.9304756273736496
Energy: 0.9792023795519126
Energy: 0.9304756273741573
Energy: 0.9792023795519126
Energy: 0.9304756273741573
Energy: 0.9792023795519126
Energy: 1.1111659026835394
Energy: 0.9087986013758313
Energy: 1.1111659026835394
Energy: 0.9087986013758313
Energy: 1.1111659026835394
Energy: 0.9087986013753235
Energy: 1.1687740369062616
Energy: 1.0755564929781667
Energy: 1.1687740369057538
Energy: 1.0755564929781667
Energy: 1.1687740369062616
Energy: 1.0755564929781667
Energy: 0.8806078353342984
Energy: 0.9684788505403064
Energy: 0.8806078353348061
Energy: 0.9684788505403064
Energy: 0.8806078353348061
Energy: 0.9684788505408141
Energy: 0.9863672965911074
Energy: 0.8674096800862797
Energy: 0.9863672965911074
Energy: 0.8674096800867874
Energy: 0.9863672965911074
Energy: 0.8674096800867874
Energy: 1.100523211672676
Energy: 1.0671060023299266
Energy: 1.1005232116721677
Energy: 1.0671060023299266
Energy: 1.100523211672676
Energy: 1.0671060023299266
Energy: 0.842946481802989
Energy: 0.9672191002563515
Energy: 0.842946481802989
Energy: 0.9672191002568594
Energy: 0.8429464818024812
Energy: 0.9672191002568594
Energy: 0.9863627599669784
Energy: 0.8317409988239522
Energy: 0.9863627599674862
Energy: 0.8317409988229367
Energy: 0.9863627599674862
Energy: 0.8317409988229367
Energy: 1.0714418763096603
Energy: 1.0689401666231897
Energy: 1.0714418763096603
Energy: 1.0689401666231897
Energy: 1.0714418763096603
Energy: 1.0689401666231897
Energy: 0.8633335178504351
Energy: 0.9671140247615597
Energy: 0.8633335178499272
Energy: 0.9671140247620676
Energy: 0.8633335178509429
Energy: 0.9671140247615597
Energy: 1.0086380694691244
Energy: 0.9202950459613612
Energy: 1.0086380694691244
Energy: 0.9202950459608534
Energy: 1.0086380694691244
Energy: 0.9202950459613612
Energy: 1.10753673776078
Energy: 1.1193357914348112
Energy: 1.1075367377612877
Energy: 1.1193357914343034
Energy: 1.1075367377612877
Energy: 1.1193357914343034
Energy: 0.8937564591534196
Energy: 1.0964540503043483
Energy: 0.8937564591539273
Energy: 1.096454050304856
Energy: 0.8937564591539273
Energy: 1.0964540503043483
Energy: 0.9774027876199011
Energy: 0.9656199692031611
Energy: 0.977402787620409
Energy: 0.9656199692026993
Energy: 0.9774027876199011
Energy: 0.9656199692026993
Energy: 1.1400950535013687
Energy: 1.1103565856935982
Energy: 1.1400950535018763
Energy: 1.1103565856935982
Energy: 1.1400950535018763
Energy: 1.1103565856935982
Energy: 0.959430703146511
Energy: 1.158891044779663
Energy: 0.9594307031470187
Energy: 1.1588910447791552
Energy: 0.9594307031470187
Energy: 1.1588910447786474
Energy: 1.0377243379970884
Energy: 0.9801988147869513
Energy: 1.037724337997596
Energy: 0.9801988147869513
Energy: 1.037724337997596
Energy: 0.9801988147869513
Energy: 1.1668933253659681
Energy: 0.9737489384538628
Energy: 1.1668933253659681
Energy: 0.9737489384538628
Energy: 1.1668933253659681
Energy: 0.9737489384538628
Energy: 1.0238713889617719
Energy: 1.159565448128924
Energy: 1.0238713889622797
Energy: 1.1595654481294317
Energy: 1.0238713889617719
Energy: 1.159565448128924
Energy: 0.9812105604122796
Energy: 1.025282078858649
Energy: 0.9812105604102485
Energy: 1.025282078858649
Energy: 0.9812105604102485
Energy: 1.0252820788591568
Energy: 0.9809094913092872
Energy: 0.9429947323556399
Energy: 0.9809094913087795
Energy: 0.9429947323556399
Energy: 0.9809094913092872
Energy: 0.9429947323556399
Energy: 0.9449636826493008
Energy: 1.1099323588963739
Energy: 0.9284757433820472
Energy: 1.1099323588963739
Energy: 0.9284757433825549
Energy: 1.109932358896882
Energy: 0.9489092027432786
Energy: 0.9512245803445436
Energy: 0.9489092027432786
Energy: 0.9512245803440358
Energy: 0.9489092027437865
Energy: 0.9512245803445436
Energy: 0.8589112071026835
Energy: 0.8844176914364936
Energy: 0.8589112071057304
Energy: 0.8844176914364936
Energy: 0.8589112071031912
Energy: 0.8844176914364936
Energy: 0.8626692282755365
Energy: 1.0820064102697273
Energy: 0.8626692282765521
Energy: 1.0820064102697273
Energy: 0.8626692282750287
Energy: 1.082006410270743
Energy: 0.9380001128197746
Energy: 1.1674149897223123
Energy: 0.9380001128197746
Energy: 1.16741498972282
Energy: 0.9380001128192667
Energy: 1.1674149897223123
Energy: 0.9598876921267891
Energy: 0.8570825858851665
Energy: 0.9598876921272969
Energy: 0.8570825858846588
Energy: 0.9598876921272969
Energy: 0.8570825858846588
Energy: 0.8389686756847505
Energy: 1.15839208823187
Energy: 0.8389686756847505
Energy: 1.1583920882323775
Energy: 0.8389686756847505
Energy: 1.1583920882323775
Energy: 1.0786577433454925
Energy: 1.0687840866830356
Energy: 1.0786577433454925
Energy: 1.0687840866830356
Energy: 1.0786577433454925
Energy: 1.0687840866830356
Energy: 0.9588539624402438
Energy: 0.8334236468083787
Energy: 0.9588539624402438
Energy: 0.8334236468093943
Energy: 0.9588539624402438
Energy: 0.8334236468083787
Energy: 0.7755499089798562
Energy: 0.9564132807454356
Energy: 0.7755499089808716
Energy: 0.9564132807459436
Energy: 0.7755499089803639
Energy: 0.9564132807454356

minimum gb energy = 0.7755499089798562 eV
minimum distance =  2.27785645602942 Angstroms
sigma value = 81


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

Energy: 0.3451380199060029
Energy: 0.4014153635385468
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.3451380199060029
Energy: 0.4014153635385468
Energy: 0.9581556484769965
Energy: 0.08318847311876554
Energy: 0.9581556484769965
Energy: 0.083188473107571
Energy: 0.9581556484769965
Energy: 0.08318847321014518
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.9581556484769965
Energy: 0.08318847234668177
Energy: 0.9581556484769965
Energy: 0.0831884723746681
Energy: 0.9581556484769965
Energy: 0.08318847233362146
Energy: 0.8945491813428731
Energy: 0.08220011218654023
Energy: 0.8945491813428731
Energy: 0.08220011218654023
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.3451380199060029
Energy: 0.4014153635385468
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.3451380199060029
Energy: 0.4014153635385468
Energy: 0.9581556484769965
Energy: 0.083188472344816
Energy: 0.9581556484769965
Energy: 0.08318847222731576
Energy: 0.9581556484769965
Energy: 0.08318847226089938
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.8945491813428731
Energy: 0.08220011218840598
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.08155895773894135
Energy: 0.4014153635385468
Energy: 0.08155895773894135
Energy: 0.4014153635385468

minimum gb energy = 0.08155895773894135 eV
minimum distance =  2.4587363453098 Angstroms
sigma value = 3


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

Energy: 1.0663914031235366
Energy: 0.8845349612614282
Energy: 1.0663914031235366
Energy: 0.8845349612614282
Energy: 1.0663914031235366
Energy: 0.8845349612614282
Energy: 0.8869466413484486
Energy: 1.022992702651771
Energy: 0.8869466413478903
Energy: 1.022992702651771
Energy: 0.8869466413490069
Energy: 1.022992702651771
Energy: 0.9750205694630548
Energy: 0.9952137522720266
Energy: 0.9750205694647299
Energy: 0.9952137522720266
Energy: 0.9750205694636134
Energy: 0.9952137522720266
Energy: 0.9983712081804009
Energy: 0.9360958668900572
Energy: 0.9983712081804009
Energy: 0.9360958668900572
Energy: 0.9983712081815177
Energy: 0.9360958668906156
Energy: 0.7761017808635179
Energy: 0.9859553361145923
Energy: 0.7761017808618428
Energy: 0.9859553361151505
Energy: 0.7761017808629596
Energy: 0.9859553361145923
Energy: 0.9252672699953726
Energy: 0.9692376177310559
Energy: 0.9252672699953726
Energy: 0.9692376177310559
Energy: 0.9252672699948143
Energy: 0.9692376177310559
Energy: 0.9544826368601838
Energy: 0.9929075440861481
Energy: 0.9544826368601838
Energy: 0.9929075440861481
Energy: 0.954482636860742
Energy: 0.9929075440861481
Energy: 0.7696879744227082
Energy: 0.9097262392800416
Energy: 0.7696879744238249
Energy: 0.9097262392805999
Energy: 0.7696879744227082
Energy: 0.9097262392805999
Energy: 0.953541634917592
Energy: 0.9669362163703464
Energy: 0.9535416349181504
Energy: 0.9669362163703464
Energy: 0.9535416349181504
Energy: 0.966936216369788
Energy: 0.9710391050499448
Energy: 0.9446553646399656
Energy: 0.9710391050493866
Energy: 0.9446553646399656
Energy: 0.9710391050505033
Energy: 0.9446553646399656
Energy: 0.8437227519592824
Energy: 0.8779530382453804
Energy: 0.8437227519603988
Energy: 0.8779530382453804
Energy: 0.8437227519598406
Energy: 0.8779530382453804
Energy: 0.9806243895413895
Energy: 0.9765067969909561
Energy: 0.980624389541948
Energy: 0.9765067969909561
Energy: 0.9806243895413895
Energy: 0.9765067969909561
Energy: 0.961204306046731
Energy: 0.7728466412791899
Energy: 0.9612043060461726
Energy: 0.7728466412791899
Energy: 0.9612043060461726
Energy: 0.7728466412791899
Energy: 0.8777630048947792
Energy: 0.9560470364266854
Energy: 0.8777630048947792
Energy: 0.9560470364266854
Energy: 0.8777630048942209
Energy: 0.9560470364266854
Energy: 0.9591491964713424
Energy: 0.9438330520366784
Energy: 0.9591491964713424
Energy: 0.9438330520361199
Energy: 0.9591491964707839
Energy: 0.9438330520366784
Energy: 0.9747422555100258
Energy: 0.7736207582350952
Energy: 0.9747422555100258
Energy: 0.7736207582350952
Energy: 0.9747422555100258
Energy: 0.7736207582367702
Energy: 0.9742352011108434
Energy: 0.9857792507987995
Energy: 0.9742352011108434
Energy: 0.9857792507987995
Energy: 0.974235201110285
Energy: 0.9857792507987995
Energy: 0.9867479873401682
Energy: 0.9165425642657393
Energy: 0.9867479873401682
Energy: 0.9165425642657393
Energy: 0.9867479873401682
Energy: 0.9165425642651808
Energy: 0.9869660321046189
Energy: 0.8748592732194838
Energy: 0.9869660321040606
Energy: 0.874859273218367
Energy: 0.9869660321040606
Energy: 0.8748592732194838
Energy: 0.9035726971108832
Energy: 1.0440648931458025
Energy: 0.9035726971108832
Energy: 1.0440648931458025
Energy: 0.9035726971108832
Energy: 1.0440648931458025
Energy: 0.9778801289451712
Energy: 0.8943696312948579
Energy: 0.9778801289457295
Energy: 0.8943696312942994
Energy: 0.9778801289457295
Energy: 0.8943696312937413
Energy: 1.0410110752829522
Energy: 0.889502998019914
Energy: 1.0410110752835102
Energy: 0.8895029980204724
Energy: 1.0410110752829522
Energy: 0.8895029980204724
Energy: 0.9563362062255556
Energy: 1.0418789660670045
Energy: 0.956336206226114
Energy: 1.0418789660670045
Energy: 0.956336206226114
Energy: 1.0418789660670045
Energy: 1.0442483874158799
Energy: 0.8722611723976879
Energy: 1.0442483874153212
Energy: 0.8722611723971296
Energy: 1.0442483874153212
Energy: 0.8722611723976879
Energy: 0.9860141443957445
Energy: 0.9244154007020141
Energy: 0.9860141443957445
Energy: 0.9244154007025726
Energy: 0.986014144395186
Energy: 0.9244154007020141
Energy: 0.8934841592356645
Energy: 0.9665483874993642
Energy: 0.8934841592351062
Energy: 0.966548387498806
Energy: 0.8934841592351062
Energy: 0.9665483874993642
Energy: 1.0382904719273287
Energy: 0.819740348235467
Energy: 1.0382904719273287
Energy: 0.8197403482360253
Energy: 1.038290471927887
Energy: 0.819740348235467
Energy: 0.9411140149375933
Energy: 0.9557778838660596
Energy: 0.9411140149375933
Energy: 0.9557778838660596
Energy: 0.9411140149375933
Energy: 0.9557778838660596
Energy: 0.8345690865981523
Energy: 1.0053923762441714
Energy: 0.834569086597594
Energy: 1.0053923762447297
Energy: 0.834569086597594
Energy: 1.0053923762441714
Energy: 1.0586064371298394
Energy: 0.8808783531930897
Energy: 1.0586064371303976
Energy: 0.8808783531919733
Energy: 1.0586064371298394
Energy: 0.8808783531930897
Energy: 0.9475008507519306
Energy: 0.9528649583899377
Energy: 0.9475008507513722
Energy: 0.9528649583899377
Energy: 0.9475008507519306
Energy: 0.9528649583899377
Energy: 0.9216284677125868
Energy: 0.9497781462501758
Energy: 0.9216284677125868
Energy: 0.9497781462501758
Energy: 0.9216284677131451
Energy: 0.9497781462496173
Energy: 0.9441703392269138
Energy: 0.9883525977348344
Energy: 0.9441703392269138
Energy: 0.9883525977348344
Energy: 0.9441703392263555
Energy: 0.9883525977342761

minimum gb energy = 0.7696879744227082 eV
minimum distance =  2.34534060987984 Angstroms
sigma value = 67


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

Energy: 1.223687899817537
Energy: 1.107951346936352
Energy: 1.2236878998167413
Energy: 1.107951346936352
Energy: 1.2236878998167413
Energy: 1.107951346936352
Energy: 1.0776328502854253
Energy: 1.1992649180907409
Energy: 1.0776328502838342
Energy: 1.1992649180899453
Energy: 1.0776328502846297
Energy: 1.1992649180907409
Energy: 1.1468559671128216
Energy: 1.166609132471762
Energy: 1.146855967112026
Energy: 1.166609132471762
Energy: 1.146855967112026
Energy: 1.166609132471762
Energy: 1.166876099716051
Energy: 1.0936017332239616
Energy: 1.166876099716051
Energy: 1.0936017332231662
Energy: 1.166876099716051
Energy: 1.0936017332239616
Energy: 0.9621402807308153
Energy: 1.0603252052624081
Energy: 0.9621402807300197
Energy: 1.0603252052639993
Energy: 0.9621402807300197
Energy: 1.0603252052632035
Energy: 1.1494200436056388
Energy: 1.1483796955460746
Energy: 1.1494200436056388
Energy: 1.1483796955460746
Energy: 1.1494200436056388
Energy: 1.1483796955460746
Energy: 1.081157319600622
Energy: 1.1891806470182076
Energy: 1.081157319599826
Energy: 1.1891806470182076
Energy: 1.081157319600622
Energy: 1.1891806470182076
Energy: 1.0815028507747584
Energy: 1.0523721643515256
Energy: 1.0815028507755542
Energy: 1.05237216435073
Energy: 1.0815028507755542
Energy: 1.0523721643515256
Energy: 1.1824591675965979
Energy: 1.1993131733649094
Energy: 1.1824591675958025
Energy: 1.1993131733649094
Energy: 1.1824591675965979
Energy: 1.1993131733649094
Energy: 1.1644297367734944
Energy: 0.9931030076983067
Energy: 1.16442973677429
Energy: 0.9931030076983067
Energy: 1.16442973677429
Energy: 0.9931030076975113
Energy: 1.154339614830405
Energy: 1.1433498864933382
Energy: 1.15433961482961
Energy: 1.1433498864933382
Energy: 1.154339614830405
Energy: 1.1433498864933382
Energy: 1.1662193234600402
Energy: 1.1335927488523976
Energy: 1.1662193234600402
Energy: 1.1335927488523976
Energy: 1.1662193234600402
Energy: 1.1335927488523976
Energy: 1.1399464456231108
Energy: 1.223868869783077
Energy: 1.1399464456231108
Energy: 1.223868869783077
Energy: 1.1399464456231108
Energy: 1.223868869783077
Energy: 1.1829011592557885
Energy: 1.1782922845509092
Energy: 1.182901159256584
Energy: 1.1782922845517045
Energy: 1.1829011592557885
Energy: 1.1782922845517045
Energy: 1.1089965395859522
Energy: 1.077599979968631
Energy: 1.1089965395843613
Energy: 1.0775999799694265
Energy: 1.1089965395859522
Energy: 1.077599979968631
Energy: 1.1895739239265792
Energy: 1.1157697049093818
Energy: 1.1895739239257836
Energy: 1.1157697049101774
Energy: 1.1895739239257836
Energy: 1.1157697049093818
Energy: 1.0977875858400752
Energy: 1.1871259758891495
Energy: 1.0977875858408708
Energy: 1.187125975889945
Energy: 1.0977875858408708
Energy: 1.187125975889945
Energy: 1.120624729187565
Energy: 1.058097297585707
Energy: 1.1206247291891562
Energy: 1.058097297585707
Energy: 1.1206247291883606
Energy: 1.058097297585707
Energy: 1.1521754313617791
Energy: 1.2058922054002716
Energy: 1.1521754313617791
Energy: 1.2058922053994758
Energy: 1.1521754313617791
Energy: 1.2058922053994758
Energy: 1.2236015012753652
Energy: 1.1966654573913589
Energy: 1.2236015012753652
Energy: 1.1966654573913589
Energy: 1.2236015012753652
Energy: 1.1966654573913589
Energy: 1.2266287629567676
Energy: 1.0786427840128374
Energy: 1.2266287629575634
Energy: 1.0786427840128374
Energy: 1.2266287629575634
Energy: 1.0786427840128374
Energy: 1.1677690545470463
Energy: 1.2001941175095046
Energy: 1.1677690545470463
Energy: 1.2001941175095046
Energy: 1.1677690545470463
Energy: 1.2001941175095046
Energy: 1.02231263846019
Energy: 1.1631146427450478
Energy: 1.0223126384609853
Energy: 1.1631146427450478
Energy: 1.02231263846019
Energy: 1.1631146427450478

minimum gb energy = 0.9621402807300197 eV
minimum distance =  2.32431811073806 Angstroms
sigma value = 33


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

Energy: 1.3442546738939043
Energy: 1.1810917000286933
Energy: 1.3442546738944088
Energy: 1.1810917000286933
Energy: 1.3442546738939043
Energy: 1.181091700029198
Energy: 1.2012587999405118
Energy: 1.297465619945043
Energy: 1.2012587999395024
Energy: 1.2974656199455479
Energy: 1.2012587999405118
Energy: 1.297465619945043
Energy: 1.3138702768079789
Energy: 1.2987033166919382
Energy: 1.3138702768079789
Energy: 1.2987033166914337
Energy: 1.3138702768074744
Energy: 1.2987033166914337
Energy: 1.2860912955930095
Energy: 1.191607371831461
Energy: 1.286091295594019
Energy: 1.191607371831461
Energy: 1.2860912955925048
Energy: 1.191607371831461
Energy: 1.2101191155564701
Energy: 1.3129457108466727
Energy: 1.2101191155569748
Energy: 1.3129457108466727
Energy: 1.2101191155564701
Energy: 1.3129457108471774
Energy: 1.4293737531251283
Energy: 1.3136060142910095
Energy: 1.4293737531246236
Energy: 1.3136060142910095
Energy: 1.4293737531251283
Energy: 1.3136060142910095
Energy: 1.199288318424564
Energy: 1.1508525846150415
Energy: 1.199288318424564
Energy: 1.1508525846140323
Energy: 1.1992883184250687
Energy: 1.1508525846160509
Energy: 1.2953249674239973
Energy: 1.2796031480532553
Energy: 1.295324967425007
Energy: 1.2796031480532553
Energy: 1.2953249674239973
Energy: 1.2796031480532553
Energy: 1.2763013439455135
Energy: 1.2863141281042925
Energy: 1.2763013439455135
Energy: 1.286314128104797
Energy: 1.2763013439460182
Energy: 1.286314128104797
Energy: 1.4060560822621617
Energy: 1.3058325011258556
Energy: 1.406056082261657
Energy: 1.348197020835601
Energy: 1.4060560822621617
Energy: 1.3481970208350962
Energy: 1.3101809054619724
Energy: 1.2945195599463308
Energy: 1.3101809054614677
Energy: 1.2945195599458261
Energy: 1.3101809054619724
Energy: 1.2945195599458261
Energy: 1.2041605625499632
Energy: 1.2038059040941336
Energy: 1.2041605625499632
Energy: 1.2038059040936289
Energy: 1.204160562548954
Energy: 1.2038059040936289
Energy: 1.327519775543908
Energy: 1.244086621415522
Energy: 1.3275197755434036
Energy: 1.244086621415522
Energy: 1.327519775542899
Energy: 1.244086621415522
Energy: 1.26154590710723
Energy: 1.2759970994150438
Energy: 1.26154590710723
Energy: 1.2759970994145393
Energy: 1.26154590710723
Energy: 1.2759970994150438
Energy: 1.240507851173227
Energy: 1.2313987702865292
Energy: 1.2405078511722176
Energy: 1.2313987702860245
Energy: 1.2405078511737317
Energy: 1.2313987702865292
Energy: 1.2859188464071698
Energy: 1.3163676330961387
Energy: 1.2859188464071698
Energy: 1.3163676330961387
Energy: 1.2859188464061606
Energy: 1.3163676330956342
Energy: 1.1923237722115192
Energy: 1.3246920113993053
Energy: 1.192323772213538
Energy: 1.3246920113988006
Energy: 1.1923237722110145
Energy: 1.3246920113988006
Energy: 1.317185934071832
Energy: 1.3650311176254808
Energy: 1.3171859340723366
Energy: 1.3650311176254808
Energy: 1.3171859340713272
Energy: 1.3650311176254808
Energy: 1.1954702980463618
Energy: 1.3667102242163356
Energy: 1.1954702980463618
Energy: 1.3667102242168403
Energy: 1.1954702980463618
Energy: 1.3667102242163356
Energy: 1.3384111915290728
Energy: 1.3008837425015165
Energy: 1.3384111915295775
Energy: 1.3008837425020212
Energy: 1.3384111915285681
Energy: 1.3008837425015165
Energy: 1.3586612060504035
Energy: 1.3154300757627602
Energy: 1.3586612060498988
Energy: 1.3154300757627602
Energy: 1.3586612060504035
Energy: 1.3154300757627602
Energy: 1.2379844021388413
Energy: 1.1824145870762592
Energy: 1.2379844021388413
Energy: 1.1824145870762592
Energy: 1.2379844021388413
Energy: 1.1824145870762592
Energy: 1.2047925717738175
Energy: 1.2946582447373958
Energy: 1.2047925717728079
Energy: 1.294658244736891
Energy: 1.2047925717738175
Energy: 1.2946582447379005
Energy: 1.368845455647183
Energy: 1.2079572185972531
Energy: 1.3688454556466783
Energy: 1.2079572185977578
Energy: 1.368845455647183
Energy: 1.207957218595739
Energy: 1.2153133091469661
Energy: 1.211802152138546
Energy: 1.2153133091444885
Energy: 1.211802152138546
Energy: 1.2153133091464614
Energy: 1.211802152138546
Energy: 1.2435198875946365
Energy: 1.2899438562815142
Energy: 1.2435198875946365
Energy: 1.2899438562810097
Energy: 1.2435198875951412
Energy: 1.2899438562810097
Energy: 1.1993051971287716
Energy: 1.1820819574437231
Energy: 1.199305197126753
Energy: 1.1820819574437231
Energy: 1.1993051971277622
Energy: 1.1820819574432184
Energy: 1.359566199590605
Energy: 1.339706192809465
Energy: 1.359566199590605
Energy: 1.339706192809465
Energy: 1.3595661995895956
Energy: 1.339706192809465
Energy: 1.3354472299409001
Energy: 1.3110608540809425
Energy: 1.335447229939891
Energy: 1.3110608540809425
Energy: 1.3354472299403957
Energy: 1.3110608540809425
Energy: 1.1951080577624364
Energy: 1.1457549926446382
Energy: 1.1951080577629412
Energy: 1.1457549926446382
Energy: 1.1951080577619317
Energy: 1.1457549926446382
Energy: 1.364475530924267
Energy: 1.36626121922183
Energy: 1.3644755309247718
Energy: 1.36626121922183
Energy: 1.3644755309252765
Energy: 1.3662612192223347
Energy: 1.2135926670116723
Energy: 1.300496050814365
Energy: 1.213592667012177
Energy: 1.3004960508138603
Energy: 1.213592667012177
Energy: 1.300496050814365
Energy: 1.284350950655751
Energy: 1.3142759482911939
Energy: 1.2843509506552464
Energy: 1.3142759482911939
Energy: 1.284350950654742
Energy: 1.3142759482911939
Energy: 1.2486267066193084
Energy: 1.2971042532571202
Energy: 1.2486267066193084
Energy: 1.2971042532571202
Energy: 1.2486267066193084
Energy: 1.2971042532571202
Energy: 1.2071985667275018
Energy: 1.2990282833027988
Energy: 1.2071985667269973
Energy: 1.2990282833027988
Energy: 1.2071985667264926
Energy: 1.2990282833027988
Energy: 1.3500398685014507
Energy: 1.2448550916910173
Energy: 1.3500398685019555
Energy: 1.2448550916905126
Energy: 1.3500398685014507
Energy: 1.2448550916905126
Energy: 1.2018177146895699
Energy: 1.2305966667312118
Energy: 1.2018177146885607
Energy: 1.2305966667312118
Energy: 1.2018177146895699
Energy: 1.2305966667312118

minimum gb energy = 1.1457549926446382 eV
minimum distance =  2.31911225154484 Angstroms
sigma value = 41


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

Energy: 1.4888726160937649
Energy: 1.3519734557940986
Energy: 1.4888726160937649
Energy: 1.3519734557940986
Energy: 1.4888726160937649
Energy: 1.3519734557940986
Energy: 1.3532031195387146
Energy: 1.4425660109798562
Energy: 1.3532031195387146
Energy: 1.4425660109798562
Energy: 1.3532031195387146
Energy: 1.4425660109798562
Energy: 1.6252436173563138
Energy: 1.4441425993061874
Energy: 1.565322443399239
Energy: 1.4441425993061874
Energy: 1.565322443399239
Energy: 1.4441425993061874
Energy: 1.5107097390899409
Energy: 1.5652790330050443
Energy: 1.5107097390899409
Energy: 1.5652790330050443
Energy: 1.5107097390899409
Energy: 1.5652790330050443
Energy: 1.469644604370017
Energy: 1.4495168160666874
Energy: 1.469644604370017
Energy: 1.4495168160666874
Energy: 1.469644604370017
Energy: 1.4495168160666874
Energy: 1.575859527045197
Energy: 1.4783283004272987
Energy: 1.575859527045197
Energy: 1.4783283004272987
Energy: 1.575859527045197
Energy: 1.4783283004272987
Energy: 1.5066733564854997
Energy: 1.367224045851002
Energy: 1.5066733564854997
Energy: 1.367224045851002
Energy: 1.5066733564854997
Energy: 1.367224045851002
Energy: 1.4388993631192308
Energy: 1.4692176661274903
Energy: 1.4388993631192308
Energy: 1.4692176661274903
Energy: 1.4388993631192308
Energy: 1.4692176661274903
Energy: 1.352806178351301
Energy: 1.3629414632044297
Energy: 1.352806178351301
Energy: 1.3629414632044297
Energy: 1.352806178351301
Energy: 1.3629414632044297
Energy: 1.501736923441938
Energy: 1.3885329104347806
Energy: 1.501736923441938
Energy: 1.3885329104347806
Energy: 1.501736923441938
Energy: 1.3885329104347806
Energy: 1.353843519312682
Energy: 1.4436746921176098
Energy: 1.353843519312682
Energy: 1.4436746921176098
Energy: 1.353843519312682
Energy: 1.4436746921176098
Energy: 1.4340436977896152
Energy: 1.4407614424680626
Energy: 1.4340436977896152
Energy: 1.4407614424680626
Energy: 1.4340436977896152
Energy: 1.4407614424694406
Energy: 1.478994099558486
Energy: 1.4674628514013197
Energy: 1.478994099558486
Energy: 1.4674628514013197
Energy: 1.4789940995571083
Energy: 1.4674628514013197
Energy: 1.4713719695051
Energy: 1.4644506328487759
Energy: 1.4713719695051
Energy: 1.4644506328487759
Energy: 1.4713719695051
Energy: 1.4644506328487759

minimum gb energy = 1.3519734557940986 eV
minimum distance =  2.27512896461053 Angstroms
sigma value = 11


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

Energy: 1.653727045021772
Energy: 1.6379043962568525
Energy: 1.653727045021772
Energy: 1.6379043962568525
Energy: 1.653727045021772
Energy: 1.6379043962568525
Energy: 1.4441026230051883
Energy: 1.5990726600678242
Energy: 1.4441026230051883
Energy: 1.5990726600678242
Energy: 1.4441026230051883
Energy: 1.5990726600678242
Energy: 1.580456671983227
Energy: 1.552674156029143
Energy: 1.62100477887036
Energy: 1.552674156029143
Energy: 1.5804566719838322
Energy: 1.552674156029143
Energy: 1.5587504746865335
Energy: 1.4483668738368705
Energy: 1.558750474687139
Energy: 1.4483668738368705
Energy: 1.5587504746865335
Energy: 1.4483668738368705
Energy: 1.6046986599587596
Energy: 1.5356315584655742
Energy: 1.6046986599593651
Energy: 1.5356315584655742
Energy: 1.6046986599587596
Energy: 1.5356315584655742
Energy: 1.5230067306604194
Energy: 1.5749008302866458
Energy: 1.5230067306604194
Energy: 1.5749008302866458
Energy: 1.5230067306604194
Energy: 1.5749008302866458
Energy: 1.5722528214003741
Energy: 1.537360063578704
Energy: 1.5722528214009794
Energy: 1.5373600635793092
Energy: 1.5722528214009794
Energy: 1.5373600635793092
Energy: 1.530126139568217
Energy: 1.5709874828667314
Energy: 1.530126139568217
Energy: 1.570987482867337
Energy: 1.530126139568217
Energy: 1.570987482867337
Energy: 1.55170340311635
Energy: 1.5457061875668288
Energy: 1.55170340311635
Energy: 1.5457061875668288
Energy: 1.5517034031157446
Energy: 1.5457061875668288
Energy: 1.5358346058108034
Energy: 1.5398240285273412
Energy: 1.5358346058108034
Energy: 1.5398240285273412
Energy: 1.5358346058108034
Energy: 1.5398240285273412
Energy: 1.5242753329707834
Energy: 1.5867275491496036
Energy: 1.5242753329701781
Energy: 1.5867275491496036
Energy: 1.5242753329707834
Energy: 1.5867275491496036
Energy: 1.5657764263062715
Energy: 1.5909231189018167
Energy: 1.565776426306877
Energy: 1.5909231189018167
Energy: 1.5657764263062715
Energy: 1.5909231189018167
Energy: 1.5606304021476698
Energy: 1.4915047684506566
Energy: 1.5606304021476698
Energy: 1.4915047684506566
Energy: 1.5606304021476698
Energy: 1.4915047684506566
Energy: 1.5347234401349608
Energy: 1.5772131409705588
Energy: 1.5347234401343555
Energy: 1.5772131409705588
Energy: 1.5347234401349608
Energy: 1.5772131409705588
Energy: 1.4937718318976498
Energy: 1.5124740955341986
Energy: 1.4937718318976498
Energy: 1.5124740955341986
Energy: 1.4937718318976498
Energy: 1.5124740955341986
Energy: 1.5774775555075327
Energy: 1.5381981150710247
Energy: 1.5774775555075327
Energy: 1.5381981150710247
Energy: 1.5774775555075327
Energy: 1.5381981150710247
Energy: 1.4650601710368807
Energy: 1.5542033406871323
Energy: 1.4650601710368807
Energy: 1.5542033406877376
Energy: 1.4650601710368807
Energy: 1.5542033406871323
Energy: 1.5674488704220018
Energy: 1.5872026298516275
Energy: 1.5674488704220018
Energy: 1.5872026298510222
Energy: 1.5674488704220018
Energy: 1.5872026298516275
Energy: 1.5231840174458713
Energy: 1.4536375283148004
Energy: 1.5231840174446605
Energy: 1.4536375283148004
Energy: 1.5231840174452658
Energy: 1.4536375283148004
Energy: 1.5291620879500647
Energy: 1.5597278425135357
Energy: 1.5291620879506698
Energy: 1.5597278425135357
Energy: 1.5291620879500647
Energy: 1.5597278425135357
Energy: 1.4516308379411553
Energy: 1.4938662977763382
Energy: 1.45163083794055
Energy: 1.4938662977763382
Energy: 1.45163083794055
Energy: 1.4938662977763382
Energy: 1.6063966497724258
Energy: 1.6460298731444853
Energy: 1.6063966497718205
Energy: 1.6460298731444853
Energy: 1.6063966497724258
Energy: 1.6460298731444853
Energy: 1.508883564289631
Energy: 1.5524951598902719
Energy: 1.508883564289631
Energy: 1.552495159890877
Energy: 1.5088835642890257
Energy: 1.552495159890877
Energy: 1.585575655676999
Energy: 1.5984204857411215
Energy: 1.5855756556763938
Energy: 1.5984204857411215
Energy: 1.5855756556763938
Energy: 1.5984204857411215
Energy: 1.5351183170473883
Energy: 1.5447294208558577
Energy: 1.5351183170479934
Energy: 1.5447294208552522
Energy: 1.5351183170473883
Energy: 1.544729420854647
Energy: 1.469669667932337
Energy: 1.5730681560396105
Energy: 1.4696696679335477
Energy: 1.5730681560396105
Energy: 1.4696696679329426
Energy: 1.5730681560396105
Energy: 1.5229895797042838
Energy: 1.5936736132849973
Energy: 1.5229895797036783
Energy: 1.593673613284392
Energy: 1.5229895797042838
Energy: 1.5936736132849973
Energy: 1.5610134353069545
Energy: 1.4885755001206489
Energy: 1.561013435306349
Energy: 1.4885755001206489
Energy: 1.5610134353069545
Energy: 1.4885755001206489
Energy: 1.5334625138558655
Energy: 1.6033501520896323
Energy: 1.5334625138558655
Energy: 1.6033501520896323
Energy: 1.5334625138558655
Energy: 1.6033501520896323
Energy: 1.4952420410580607
Energy: 1.4320683361833824
Energy: 1.4952420410586662
Energy: 1.4320683361839874
Energy: 1.4952420410586662
Energy: 1.4320683361833824
Energy: 1.5336823188544817
Energy: 1.6053661988419534
Energy: 1.5336823188544817
Energy: 1.6053661988425587
Energy: 1.5336823188544817
Energy: 1.6053661988419534

minimum gb energy = 1.4320683361833824 eV
minimum distance =  2.25781006309127 Angstroms
sigma value = 57


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

Energy: 1.4550614497362113
Energy: 1.3681747856473154
Energy: 1.4550614497362113
Energy: 1.3681747856473154
Energy: 1.4550614497362113
Energy: 1.3681747856473154
Energy: 1.5653129741939793
Energy: 1.606904792143238
Energy: 1.5653129741950567
Energy: 1.606904792143238
Energy: 1.5653129741939793
Energy: 1.606904792143238
Energy: 1.616005546303154
Energy: 1.4988544235766021
Energy: 1.6160055463042313
Energy: 1.498854423575525
Energy: 1.616005546303154
Energy: 1.498854423575525
Energy: 1.4518487662326085
Energy: 1.4516359321425114
Energy: 1.4518487662326085
Energy: 1.4516359321425114
Energy: 1.4518487662315311
Energy: 1.4516359321435888
Energy: 1.61616819823457
Energy: 1.4988177463159151
Energy: 1.616168198235647
Energy: 1.498817746314838
Energy: 1.61616819823457
Energy: 1.498817746314838
Energy: 1.5658228745400902
Energy: 1.541667954222449
Energy: 1.5658228745390128
Energy: 1.4085538507954956
Energy: 1.5658228745390128
Energy: 1.4085538507954956
Energy: 1.4550614497372887
Energy: 1.368174785646238
Energy: 1.4550614497372887
Energy: 1.368174785646238
Energy: 1.4550614497362113
Energy: 1.368174785646238
Energy: 1.5653129741939793
Energy: 1.6069047921421606
Energy: 1.5653129741939793
Energy: 1.6069047921421606
Energy: 1.5653129741939793
Energy: 1.606904792143238
Energy: 1.616005546303154
Energy: 1.4988544235776795
Energy: 1.6160055463042313
Energy: 1.4988544235766021
Energy: 1.6160055463042313
Energy: 1.4988544235776795
Energy: 1.4518487662315311
Energy: 1.6308702947884004
Energy: 1.4518487662304542
Energy: 1.6308702947884004
Energy: 1.4518487662326085
Energy: 1.6308702947884004
Energy: 1.616168198235647
Energy: 1.4988177463169925
Energy: 1.616168198235647
Energy: 1.4988177463169925
Energy: 1.616168198235647
Energy: 1.4988177463169925
Energy: 1.5658228745390128
Energy: 1.4085538507965727
Energy: 1.5658228745390128
Energy: 1.4085538507965727
Energy: 1.5658228745390128
Energy: 1.4085538507954956
Energy: 1.4550614497362113
Energy: 1.3681747856473154
Energy: 1.4550614497362113
Energy: 1.3681747856483923
Energy: 1.4550614497362113
Energy: 1.3681747856473154
Energy: 1.5653129741939793
Energy: 1.6069047921410833
Energy: 1.5653129741939793
Energy: 1.6069047921410833
Energy: 1.5653129741950567
Energy: 1.606904792143238
Energy: 1.616005546303154
Energy: 1.498854423575525
Energy: 1.616005546303154
Energy: 1.4988544235766021
Energy: 1.616005546303154
Energy: 1.498854423575525
Energy: 1.4518487662326085
Energy: 1.3801222992443107
Energy: 1.4518487662315311
Energy: 1.3801222992453879
Energy: 1.4518487662315311
Energy: 1.3801222992443107
Energy: 1.616168198235647
Energy: 1.498817746314838
Energy: 1.61616819823457
Energy: 1.498817746314838
Energy: 1.616168198235647
Energy: 1.498817746314838

minimum gb energy = 1.368174785646238 eV
minimum distance =  2.29877017195748 Angstroms
sigma value = 9


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

Energy: 1.5576720415342815
Energy: 1.6404943128746867
Energy: 1.5576720415342815
Energy: 1.6404943128755665
Energy: 1.5576720415342815
Energy: 1.6404943128755665
Energy: 1.5185805724867447
Energy: 1.5236892937489723
Energy: 1.5185805724858654
Energy: 1.5236892937498518
Energy: 1.5185805724876245
Energy: 1.5236892937498518
Energy: 1.578843083730364
Energy: 1.5090330551228048
Energy: 1.5098890506383518
Energy: 1.5090330551228048
Energy: 1.578843083728605
Energy: 1.5090330551236841
Energy: 1.4785740491058252
Energy: 1.606093955281098
Energy: 1.4785740491067048
Energy: 1.606093955281098
Energy: 1.4785740491067048
Energy: 1.6060939552802185
Energy: 1.5181860444967579
Energy: 1.5293966708419993
Energy: 1.5181860444967579
Energy: 1.5293966708411197
Energy: 1.5181860444967579
Energy: 1.5293966708419993
Energy: 1.5282205039560046
Energy: 1.5150038376546946
Energy: 1.5282205039560046
Energy: 1.5150038376564536
Energy: 1.5282205039568841
Energy: 1.5150038376546946
Energy: 1.4965786852864433
Energy: 1.5370510952977572
Energy: 1.496578685285564
Energy: 1.5370510952977572
Energy: 1.496578685285564
Energy: 1.5370510952977572
Energy: 1.4933436362436883
Energy: 1.5510969269621908
Energy: 1.4933436362436883
Energy: 1.5510969269621908
Energy: 1.4933436362436883
Energy: 1.5510969269621908
Energy: 1.7088810316465426
Energy: 1.5659021686858121
Energy: 1.7088810316465426
Energy: 1.5659021686849328
Energy: 1.708881031645663
Energy: 1.5659021686849328
Energy: 1.4984692535763027
Energy: 1.5055988593688
Energy: 1.498469253575423
Energy: 1.5055988593688
Energy: 1.4984692535763027
Energy: 1.5055988593688
Energy: 1.50540260824808
Energy: 1.51868522695725
Energy: 1.5054026082472003
Energy: 1.51868522695725
Energy: 1.50540260824808
Energy: 1.51868522695725
Energy: 1.5842820624969038
Energy: 1.545830162040851
Energy: 1.5842820624960243
Energy: 1.545830162040851
Energy: 1.5842820624960243
Energy: 1.5458301620417307
Energy: 1.4785150756960654
Energy: 1.562866227238514
Energy: 1.4785150756960654
Energy: 1.5628662272376346
Energy: 1.4785150756960654
Energy: 1.562866227238514
Energy: 1.5370418101105774
Energy: 1.5079168402226537
Energy: 1.5370418101114571
Energy: 1.5079168402226537
Energy: 1.5370418101105774
Energy: 1.5079168402226537
Energy: 1.5286088973332381
Energy: 1.5405962955367762
Energy: 1.5286088973323586
Energy: 1.5405962955358967
Energy: 1.5286088973323586
Energy: 1.5405962955358967
Energy: 1.5551968999132628
Energy: 1.5173698101853468
Energy: 1.5551968999132628
Energy: 1.5173698101862263
Energy: 1.5551968999123833
Energy: 1.5173698101853468
Energy: 1.5507031356933934
Energy: 1.518174103003409
Energy: 1.5507031356933934
Energy: 1.5181741030025295
Energy: 1.5507031356933934
Energy: 1.518174103003409
Energy: 1.721258279038398
Energy: 1.529164149390513
Energy: 1.721258279038398
Energy: 1.529164149390513
Energy: 1.721258279038398
Energy: 1.5291641493896333
Energy: 1.496061273099427
Energy: 1.5098387406512885
Energy: 1.496061273099427
Energy: 1.5098387406504088
Energy: 1.4960612731003062
Energy: 1.5098387406512885
Energy: 1.5913193759745432
Energy: 1.5554286903470451
Energy: 1.5913193759754227
Energy: 1.5554286903470451
Energy: 1.5913193759745432
Energy: 1.5554286903470451
Energy: 1.586290816816323
Energy: 1.543495791371645
Energy: 1.586290816816323
Energy: 1.543495791371645
Energy: 1.586290816816323
Energy: 1.5434957913707656

minimum gb energy = 1.4785150756960654 eV
minimum distance =  2.28572792366386 Angstroms
sigma value = 27


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

Energy: 1.6138424431795468
Energy: 1.8373473832558929
Energy: 1.5696184814475722
Energy: 1.8373473832558929
Energy: 1.6138424431795468
Energy: 1.8373473832558929
Energy: 1.608229168293853
Energy: 1.541260358502211
Energy: 1.6082291682931116
Energy: 1.541260358502211
Energy: 1.6082291682931116
Energy: 1.5412603585014697
Energy: 1.4863383163680437
Energy: 1.4985967763015797
Energy: 1.4863383163680437
Energy: 1.4985967763015797
Energy: 1.4863383163680437
Energy: 1.498596776302321
Energy: 1.4537416313027638
Energy: 1.5974178503532765
Energy: 1.4537416313027638
Energy: 1.5974178503525351
Energy: 1.4537416313027638
Energy: 1.5974178503532765
Energy: 1.4536138913984844
Energy: 1.5677890334977476
Energy: 1.4536138913984844
Energy: 1.5677890334977476
Energy: 1.453613891399967
Energy: 1.567789033498489
Energy: 1.57616855263873
Energy: 1.585400437243868
Energy: 1.57616855263873
Energy: 1.585400437243868
Energy: 1.57616855263873
Energy: 1.5854004372431265
Energy: 1.4780644259130593
Energy: 1.5870884515568497
Energy: 1.4780644259130593
Energy: 1.5870884515568497
Energy: 1.4780644259138007
Energy: 1.5870884515561086
Energy: 1.566858207621958
Energy: 1.485168244358731
Energy: 1.5668582076204751
Energy: 1.485168244358731
Energy: 1.566858207621958
Energy: 1.485168244358731
Energy: 1.655997274282163
Energy: 1.4534861738404994
Energy: 1.6559898829172606
Energy: 1.4534861738397578
Energy: 1.6559972742814215
Energy: 1.4534861738404994
Energy: 1.5850515633613191
Energy: 1.5349756962540468
Energy: 1.5851161210411249
Energy: 1.5349756962540468
Energy: 1.5850515633613191
Energy: 1.5349756962533054
Energy: 1.5846879562189153
Energy: 1.566672689243661
Energy: 1.5847240888032827
Energy: 1.5666726892429197
Energy: 1.5846879562189153
Energy: 1.566672689242178
Energy: 1.5888041443370107
Energy: 1.4793334442366024
Energy: 1.5888041443362695
Energy: 1.4793334442366024
Energy: 1.5888041443370107
Energy: 1.479333444238085
Energy: 1.5200823069816074
Energy: 1.599450709184214
Energy: 1.5200823069816074
Energy: 1.599450709184214
Energy: 1.5200823069816074
Energy: 1.5994507091827312
Energy: 1.453645107865838
Energy: 1.5114571049523196
Energy: 1.453645107865838
Energy: 1.5114571049530607
Energy: 1.453645107865838
Energy: 1.5114571049523196
Energy: 1.661633719739888
Energy: 1.5828972468863576
Energy: 1.6625801322191456
Energy: 1.5828972468863576
Energy: 1.6616337197391466
Energy: 1.5828972468856164
Energy: 1.541525791894278
Energy: 1.5680863316532878
Energy: 1.5415257918935368
Energy: 1.5680863316525464
Energy: 1.541525791894278
Energy: 1.568086331650322
Energy: 1.4782796735192685
Energy: 1.4866722299083281
Energy: 1.4782796735192685
Energy: 1.4866722299083281
Energy: 1.4782796735192685
Energy: 1.4866722299083281
Energy: 1.5973957685138163
Energy: 1.5134527350919502
Energy: 1.5973957685138163
Energy: 1.5134527350926918
Energy: 1.5973957685145574
Energy: 1.5134527350912088
Energy: 1.519175087899306
Energy: 1.5074154496109637
Energy: 1.5245231442767035
Energy: 1.507415449611705
Energy: 1.5191750879000476
Energy: 1.5074154496109637
Energy: 1.6138424431795468
Energy: 1.8373473832573755
Energy: 1.5696184814468306
Energy: 1.8373473832573755
Energy: 1.6138424431795468
Energy: 1.8373473832573755
Energy: 1.6082291682931116
Energy: 1.541260358502211
Energy: 1.6082291682931116
Energy: 1.541260358502211
Energy: 1.6082291682931116
Energy: 1.541260358502211
Energy: 1.4863383163680437
Energy: 1.498596776300097
Energy: 1.4863383163673025
Energy: 1.498596776300097
Energy: 1.4863383163680437
Energy: 1.498596776300097
Energy: 1.4537416313027638
Energy: 1.597417850354018
Energy: 1.453741631301281
Energy: 1.5974178503525351
Energy: 1.4537416313020222
Energy: 1.5974178503532765
Energy: 1.4536138913992258
Energy: 1.5677890334977476
Energy: 1.453613891399967
Energy: 1.5677890334970064
Energy: 1.4536138913992258
Energy: 1.5677890334977476
Energy: 1.57616855263873
Energy: 1.5854004372431265
Energy: 1.5761685526379885
Energy: 1.5854004372431265
Energy: 1.5761685526379885
Energy: 1.5854004372423853

minimum gb energy = 1.4534861738397578 eV
minimum distance =  2.25898099184186 Angstroms
sigma value = 19


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

Energy: 1.4702757788985408
Energy: 1.6988117236809885
Energy: 1.4702757788985408
Energy: 1.6988117236809885
Energy: 1.4702757788979008
Energy: 1.6988117236809885
Energy: 1.5219707056246492
Energy: 1.5263418275296141
Energy: 1.5219707056246492
Energy: 1.5263418275296141
Energy: 1.521970705624009
Energy: 1.5263418275296141
Energy: 1.5584161278363744
Energy: 1.4269213614726965
Energy: 1.5584161278363744
Energy: 1.4269213614720568
Energy: 1.5584161278363744
Energy: 1.4269213614720568
Energy: 1.4182434851531431
Energy: 1.550486708800339
Energy: 1.4182434851531431
Energy: 1.550486708800339
Energy: 1.4182434851531431
Energy: 1.550486708800339
Energy: 1.522211201087767
Energy: 1.5189908438508988
Energy: 1.522211201087767
Energy: 1.5189908438515387
Energy: 1.5222112010871272
Energy: 1.5189908438508988
Energy: 1.5651922683979362
Energy: 1.4258276565986487
Energy: 1.5651922683979362
Energy: 1.4258276565992887
Energy: 1.5651922683979362
Energy: 1.4258276565992887
Energy: 1.4682892155374845
Energy: 1.637288887007936
Energy: 1.4682892155381244
Energy: 1.6372888870066564
Energy: 1.4682892155387646
Energy: 1.6372888870066564
Energy: 1.4498815092271538
Energy: 1.6437544483647242
Energy: 1.4498815092271538
Energy: 1.643754448365364
Energy: 1.4498815092277937
Energy: 1.6437544483647242
Energy: 1.5925882213795204
Energy: 1.3966782424148365
Energy: 1.5925882213795204
Energy: 1.3966782424141966
Energy: 1.5925882213795204
Energy: 1.3966782424148365
Energy: 1.5219570017457795
Energy: 1.5175028897225546
Energy: 1.5219570017457795
Energy: 1.5175028897219145
Energy: 1.5219570017457795
Energy: 1.5175028897219145
Energy: 1.4076341213207988
Energy: 1.630007939843946
Energy: 1.4076341213207988
Energy: 1.6300079398445861
Energy: 1.4076341213207988
Energy: 1.630007939843946
Energy: 1.5941338568619985
Energy: 1.4250606965940646
Energy: 1.5941338568626384
Energy: 1.4250606965947048
Energy: 1.5941338568619985
Energy: 1.4250606965947048
Energy: 1.5422399425989362
Energy: 1.480563821718991
Energy: 1.5422399425989362
Energy: 1.480563821718351
Energy: 1.5422399425989362
Energy: 1.480563821718351
Energy: 1.4240693399712965
Energy: 1.5485091879067887
Energy: 1.4240693399712965
Energy: 1.548509187906149
Energy: 1.4240693399712965
Energy: 1.5485091879067887
Energy: 1.5635756380621377
Energy: 1.4343133066507672
Energy: 1.5635756380621377
Energy: 1.4343133066507672
Energy: 1.5635756380627777
Energy: 1.4343133066507672
Energy: 1.6226603383905256
Energy: 1.3968370172205449
Energy: 1.6226603383905256
Energy: 1.3968370172211848
Energy: 1.6226603383905256
Energy: 1.3968370172211848
Energy: 1.4348545730503919
Energy: 1.5453765184469856
Energy: 1.434854573049752
Energy: 1.5453765184482655
Energy: 1.434854573049752
Energy: 1.5453765184476254
Energy: 1.5039444746880803
Energy: 1.5400433559240465
Energy: 1.5039444746880803
Energy: 1.5400433559221265
Energy: 1.5039444746880803
Energy: 1.540043355927886
Energy: 1.5353543764201418
Energy: 1.424441603451594
Energy: 1.5353543764201418
Energy: 1.424441603451594
Energy: 1.5353543764201418
Energy: 1.424441603451594
Energy: 1.4337039264414628
Energy: 1.5206225079779248
Energy: 1.4337039264414628
Energy: 1.5206225079779248
Energy: 1.4337039264414628
Energy: 1.5206225079779248
Energy: 1.4298724378829835
Energy: 1.6268037767698627
Energy: 1.4298724378836234
Energy: 1.6268037767698627
Energy: 1.4298724378829835
Energy: 1.6268037767692227
Energy: 1.5998190370282295
Energy: 1.4267959384439095
Energy: 1.5998190370282295
Energy: 1.4267959384439095
Energy: 1.5998190370282295
Energy: 1.4267959384439095
Energy: 1.5656979616831956
Energy: 1.5239837533881007
Energy: 1.5656979616831956
Energy: 1.5239837533881007
Energy: 1.5656979616825555
Energy: 1.5239837533881007
Energy: 1.4586687381127084
Energy: 1.5305551457205742
Energy: 1.4586687381127084
Energy: 1.5305551457199345
Energy: 1.4586687381127084
Energy: 1.5305551457199345
Energy: 1.50048944296148
Energy: 1.426969213239446
Energy: 1.50048944296148
Energy: 1.4269692132400862
Energy: 1.50048944296148
Energy: 1.4269692132400862
Energy: 1.5504058624923134
Energy: 1.4507954959017186
Energy: 1.5504058624929533
Energy: 1.4507954959017186
Energy: 1.5504058624929533
Energy: 1.4507954959010787
Energy: 1.4010928943123795
Energy: 1.5322697179262244
Energy: 1.4010928943130194
Energy: 1.5322697179262244
Energy: 1.4010928943123795
Energy: 1.5322697179262244
Energy: 1.5475563430885493
Energy: 1.4243740429290634
Energy: 1.5475563430885493
Energy: 1.4243740429297036
Energy: 1.5475563430885493
Energy: 1.4243740429290634
Energy: 1.5117979451473738
Energy: 1.424591567345615
Energy: 1.5117979451467336
Energy: 1.424591567345615
Energy: 1.5117979451473738
Energy: 1.424591567345615

minimum gb energy = 1.3966782424141966 eV
minimum distance =  2.27612005151371 Angstroms
sigma value = 101


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

Energy: 1.3822570071565268
Energy: 1.5673883272994857
Energy: 1.3822570071559643
Energy: 1.5673883272994857
Energy: 1.3822570071565268
Energy: 1.5673883272994857
Energy: 1.496366057701509
Energy: 1.432554351430193
Energy: 1.4963660577009466
Energy: 1.432554351430193
Energy: 1.4963660577020717
Energy: 1.4325543514307555
Energy: 1.4772523244729172
Energy: 1.3615672357003403
Energy: 1.4772523244723545
Energy: 1.3615672356997777
Energy: 1.4772523244723545
Energy: 1.3615672357003403
Energy: 1.3235023390372143
Energy: 1.7908214208569613
Energy: 1.3235023390377767
Energy: 1.750861849535941
Energy: 1.3235023390377767
Energy: 1.7508618495365036
Energy: 1.437705010075025
Energy: 1.4219610607831603
Energy: 1.4377050100744626
Energy: 1.4219610607837228
Energy: 1.4377050100744626
Energy: 1.4219610607837228
Energy: 1.5467693845968775
Energy: 1.3414350215259736
Energy: 1.5467693845968775
Energy: 1.3414350215259736
Energy: 1.5467693845968775
Energy: 1.341435021526536
Energy: 1.357892863931538
Energy: 1.654327505416325
Energy: 1.357892863931538
Energy: 1.6543275054168876
Energy: 1.357892863932663
Energy: 1.654327505416325
Energy: 1.3423592019973185
Energy: 1.4937874898855819
Energy: 1.3423592019967563
Energy: 1.4937874898855819
Energy: 1.3423592019967563
Energy: 1.4937874898855819
Energy: 1.5423103822158826
Energy: 1.3433903400359737
Energy: 1.5423103822158826
Energy: 1.3433903400359737
Energy: 1.5423103822158826
Energy: 1.3433903400359737
Energy: 1.5152453930142538
Energy: 1.435850788213895
Energy: 1.5152453930142538
Energy: 1.492680926876824
Energy: 1.5152453930136913
Energy: 1.4926809268751362
Energy: 1.322453038427667
Energy: 1.6545071827464681
Energy: 1.322453038427667
Energy: 1.6545071827464681
Energy: 1.322453038427667
Energy: 1.6545071827459057
Energy: 1.428509899242969
Energy: 1.3972094070335002
Energy: 1.4285098991743894
Energy: 1.397209407032375
Energy: 1.428509899180526
Energy: 1.397209407032375
Energy: 1.5049798928885683
Energy: 1.3620348663294275
Energy: 1.5049798928885683
Energy: 1.3620348663294275
Energy: 1.5049798928891307
Energy: 1.36203486632999
Energy: 1.3822272618746132
Energy: 1.5253366837556699
Energy: 1.3822272618757385
Energy: 1.5762108908223336
Energy: 1.3822272618746132
Energy: 1.576210890824021
Energy: 1.483559826185628
Energy: 1.4095790088083577
Energy: 1.4835598261845029
Energy: 1.4095790088083577
Energy: 1.4835598261845029
Energy: 1.4095790088089202
Energy: 1.5603835917423028
Energy: 1.3642047212322241
Energy: 1.5603835917411775
Energy: 1.3642047212322241
Energy: 1.5603835917417401
Energy: 1.3642047212322241
Energy: 1.3225100074285914
Energy: 1.4552040528484056
Energy: 1.3225100074285914
Energy: 1.4552040528540313
Energy: 1.3225100074285914
Energy: 1.4552040528489685
Energy: 1.3166154045587055
Energy: 1.4788744492567316
Energy: 1.3166154045587055
Energy: 1.4788744492567316
Energy: 1.3166154045587055
Energy: 1.4788744492567316
Energy: 1.5437909067963003
Energy: 1.3415233749688096
Energy: 1.5437909067963003
Energy: 1.3415233749688096
Energy: 1.5437909067963003
Energy: 1.3415233749682471
Energy: 1.4311067584069892
Energy: 1.4820895934200993
Energy: 1.4311067584069892
Energy: 1.4820895934200993
Energy: 1.4311067584064268
Energy: 1.4820895934212241
Energy: 1.3423367133498507
Energy: 1.6394298274770593
Energy: 1.3423367133498507
Energy: 1.6394298274776218
Energy: 1.3423367133504132
Energy: 1.6394298274776218
Energy: 1.657353823038235
Energy: 1.3415449963403032
Energy: 1.657353823038235
Energy: 1.3415449963397408
Energy: 1.6573538230376725
Energy: 1.3415449963403032
Energy: 1.5451707300000541
Energy: 1.3423479775095921
Energy: 1.5451707300000541
Energy: 1.3423479775090297
Energy: 1.5451707300000541
Energy: 1.3423479775101548
Energy: 1.323692251257797
Energy: 1.5474219928316382
Energy: 1.323692251257797
Energy: 1.5474219928316382
Energy: 1.3236922512566718
Energy: 1.5474219928316382
Energy: 1.4294884974446074
Energy: 1.3934849825811413
Energy: 1.4294884974417945
Energy: 1.393484982581704
Energy: 1.4294884974429198
Energy: 1.393484982581704
Energy: 1.5057410402188607
Energy: 1.3616381255302188
Energy: 1.5057410402194233
Energy: 1.3616381255296564
Energy: 1.5057410402194233
Energy: 1.3616381255313437
Energy: 1.3822088896202476
Energy: 1.500796834270562
Energy: 1.3822088896202476
Energy: 1.5007968342699993
Energy: 1.3822088896191225
Energy: 1.5007968342699993
Energy: 1.382728902901774
Energy: 1.5187125983488516
Energy: 1.3827289029012115
Energy: 1.5187125983488516
Energy: 1.382728902901774
Energy: 1.5187125983488516
Energy: 1.5474515529750614
Energy: 1.3615945050789588
Energy: 1.5474515529739363
Energy: 1.3615945050789588
Energy: 1.5474515529744988
Energy: 1.3615945050789588
Energy: 1.3164944838076933
Energy: 1.4968797059938284
Energy: 1.3164944838076933
Energy: 1.4968797059932657
Energy: 1.3164944838076933
Energy: 1.4968797059938284
Energy: 1.3223855473809554
Energy: 1.470819883579597
Energy: 1.3223855473792676
Energy: 1.470819883579597
Energy: 1.3223855473803927
Energy: 1.470819883579597
Energy: 1.526519363449064
Energy: 1.3413107897798537
Energy: 1.526519363449064
Energy: 1.3413107897787284
Energy: 1.526519363449064
Energy: 1.3413107897787284
Energy: 1.6583803647632487
Energy: 1.342391363669186
Energy: 1.6583803647632487
Energy: 1.3423913636680609
Energy: 1.6583803647626867
Energy: 1.3423913636686233

minimum gb energy = 1.3164944838076933 eV
minimum distance =  2.29807074527351 Angstroms
sigma value = 33


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

Energy: 0.020524471839416098
Energy: 1.222914142221683
Energy: 0.020524471839416098
Energy: 1.222914142221683
Energy: 0.020524471839831568
Energy: 1.222914142221683
Energy: 0.0214383324518128
Energy: 0.45538814311475884
Energy: 0.0214383324518128
Energy: 0.45538814311475884
Energy: 0.021438332451345403
Energy: 0.4553881431152263
Energy: 1.2236521093930488
Energy: 0.4546890378795748
Energy: 1.2235771690195136
Energy: 0.4546890368078746
Energy: 1.2235790225242198
Energy: 0.454689038337265
Energy: 0.021438332452747608
Energy: 0.4553881431152263
Energy: 0.021438332452747608
Energy: 0.45538814311475884
Energy: 0.021438332452747608
Energy: 0.4553881431152263

minimum gb energy = 0.020524471839416098 eV
minimum distance =  2.48492829418171 Angstroms
sigma value = 1