Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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=3.5213917419314393
cohesive_energy=4.450349978305028
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: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 1.4518190785500549
Energy: 0.7782975823502579
Energy: 1.4518190785497243
Energy: 0.7782975823502579
Energy: 1.4518190785500549
Energy: 0.7782975823502579
Energy: 0.018146581451582593
Energy: 1.4518190785497243
Energy: 0.018146581451582593
Energy: 1.4518190785497243
Energy: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 1.4518190785500549
Energy: 0.7782975823499274
Energy: 1.4518190785497243
Energy: 0.7782975823502579
Energy: 1.4518190785500549
Energy: 0.7782975823499274
Energy: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 0.018146581451582593
Energy: 1.4518190785500549
Energy: 1.4518190785500549
Energy: 0.7782975823502579
Energy: 1.4518190785500549
Energy: 0.7782975823502579
Energy: 1.4518190785500549
Energy: 0.7782975823502579

minimum gb energy = 0.018146581451582593 eV
minimum distance =  2.45180337461271 Angstroms
sigma value = 1


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

Energy: 1.562267867240512
Energy: 1.4474894602547725
Energy: 1.5622678672397166
Energy: 1.4474894602547725
Energy: 1.5622678672397166
Energy: 1.447489460253977
Energy: 1.7364346363578784
Energy: 1.3593825784909521
Energy: 1.736434636358674
Energy: 1.3593825784909521
Energy: 1.7364346363570826
Energy: 1.3593825784909521
Energy: 1.5149344547412544
Energy: 1.5266234217588575
Energy: 1.51493445474205
Energy: 1.5266234217588575
Energy: 1.5149344547412544
Energy: 1.5266234217580619
Energy: 1.6294908061751017
Energy: 1.4099249914390628
Energy: 1.6294908061743063
Energy: 1.4099249914390628
Energy: 1.6294908061743063
Energy: 1.4099249914390628
Energy: 1.4681729693163097
Energy: 1.5894236899812073
Energy: 1.4681729693163097
Energy: 1.5894236899812073
Energy: 1.4681729693163097
Energy: 1.5894236899820031
Energy: 1.5666660162243768
Energy: 1.4043154781006684
Energy: 1.5666660162243768
Energy: 1.4043154781006684
Energy: 1.5666660162235813
Energy: 1.4043154781006684
Energy: 1.470770179742741
Energy: 1.5315517214229977
Energy: 1.470770179744332
Energy: 1.5315517214214065
Energy: 1.470770179744332
Energy: 1.5315517214222019
Energy: 1.4185496820246308
Energy: 1.641832176108706
Energy: 1.4185496820246308
Energy: 1.6418321761095014
Energy: 1.4185496820254264
Energy: 1.641832176108706
Energy: 1.543120672598835
Energy: 1.535656226806295
Energy: 1.5431206725980395
Energy: 1.5356562268054996
Energy: 1.5431206725980395
Energy: 1.5356562268054996
Energy: 1.3448170164695081
Energy: 1.6224849264257448
Energy: 1.344817016470304
Energy: 1.622484926424154
Energy: 1.3448170164710993
Energy: 1.6224849264265406
Energy: 1.7241646723168769
Energy: 1.3937417015145293
Energy: 1.724164672316081
Energy: 1.3937417015145293
Energy: 1.724164672316081
Energy: 1.3937417015145293
Energy: 1.3162086765971701
Energy: 1.842630946432472
Energy: 1.3162086765971701
Energy: 1.842630946432472
Energy: 1.3162086765963745
Energy: 1.842630946432472
Energy: 1.6312886696335134
Energy: 1.3115579732804703
Energy: 1.6312886696335134
Energy: 1.3115579732804703
Energy: 1.631288669632718
Energy: 1.3115579732804703
Energy: 1.4164683884014833
Energy: 1.4177865086698547
Energy: 1.4164683884006877
Energy: 1.4177865086698547
Energy: 1.4164683884022788
Energy: 1.4177865086698547
Energy: 1.725846474013969
Energy: 1.3543319131013352
Energy: 1.7258464740131736
Energy: 1.354331913102131
Energy: 1.7258464740147645
Energy: 1.3543319131013352
Energy: 1.7245563238331039
Energy: 1.5555393697734368
Energy: 1.7245563238331039
Energy: 1.5555393697734368
Energy: 1.7245563238338992
Energy: 1.5555393697734368
Energy: 1.5149727967972015
Energy: 1.4817248314006208
Energy: 1.5149727967972015
Energy: 1.4817248314014164
Energy: 1.5149727967972015
Energy: 1.4817248314014164
Energy: 1.5150912882366452
Energy: 1.4388653994754081
Energy: 1.5150912882358496
Energy: 1.4388653994754081
Energy: 1.5150912882366452
Energy: 1.4388653994754081
Energy: 1.34951503000781
Energy: 1.4128377224419477
Energy: 1.34951503000781
Energy: 1.4128377224419477
Energy: 1.34951503000781
Energy: 1.4128377224419477
Energy: 1.5448123834167076
Energy: 1.4050012505743499
Energy: 1.5448123834167076
Energy: 1.4050012505743499
Energy: 1.5448123834159118
Energy: 1.4050012505743499
Energy: 1.372365335991833
Energy: 1.8685968679756275
Energy: 1.372365335991833
Energy: 1.868596867976423
Energy: 1.372365335991833
Energy: 1.868596867976423
Energy: 1.5241263782995536
Energy: 1.538753951380737
Energy: 1.5241263782979624
Energy: 1.538753951380737
Energy: 1.524126378298758
Energy: 1.5387539513815325
Energy: 1.332250411548097
Energy: 1.6119985850836203
Energy: 1.332250411548097
Energy: 1.6119985850836203
Energy: 1.332250411548097
Energy: 1.611998585082825

minimum gb energy = 1.3115579732804703 eV
minimum distance =  2.23136535774954 Angstroms
sigma value = 33


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

Energy: 1.846473312279149
Energy: 1.5697318527950883
Energy: 1.7846181717908327
Energy: 1.5697318527941835
Energy: 1.8464733122805066
Energy: 1.5697318527941835
Energy: 1.638480876147188
Energy: 1.4294720019283318
Energy: 1.638480876148093
Energy: 1.4294720019278793
Energy: 1.6384808761521656
Energy: 1.4294720019278793
Energy: 1.4198206378892841
Energy: 1.4283650988212817
Energy: 1.4198206378906417
Energy: 1.4283650988194716
Energy: 1.4198206378888316
Energy: 1.4283650988203767
Energy: 1.5866713712686022
Energy: 1.6291128248146727
Energy: 1.5866713712690546
Energy: 1.62911282481422
Energy: 1.5866713712686022
Energy: 1.6291128248137674
Energy: 1.5285454917651473
Energy: 1.509579288803529
Energy: 1.52854549176741
Energy: 1.509579288805339
Energy: 1.528545491766505
Energy: 1.509579288805339
Energy: 1.3864780191801445
Energy: 1.422373156856872
Energy: 1.386478019177882
Energy: 1.4223731568582294
Energy: 1.3864780191769768
Energy: 1.4223731568582294
Energy: 1.5899121312106241
Energy: 1.6712661729681437
Energy: 1.5908179866146714
Energy: 1.6712661729672385
Energy: 1.5899129454498464
Energy: 1.6712661729672385
Energy: 1.338388313395106
Energy: 1.7793095128461034
Energy: 1.3383533207158915
Energy: 1.7793095128488186
Energy: 1.3383883133946537
Energy: 1.7793095128488186
Energy: 1.3750458369594345
Energy: 1.4242780614624395
Energy: 1.3750458369621494
Energy: 1.424278061460177
Energy: 1.3750458369630545
Energy: 1.424278061460177
Energy: 1.3914253457760455
Energy: 1.6594802038134262
Energy: 1.3914249555240366
Energy: 1.6594802038107106
Energy: 1.3914253457760455
Energy: 1.6594802038111633
Energy: 1.6931800545579232
Energy: 1.3910471655294059
Energy: 1.6931800545606384
Energy: 1.3910471655289531
Energy: 1.6931800545610909
Energy: 1.3910471655285006
Energy: 1.4197630656661413
Energy: 1.5666413985498535
Energy: 1.419762899421797
Energy: 1.5666413985498535
Energy: 1.4197630656661413
Energy: 1.5666413985498535
Energy: 1.7227934168392887
Energy: 1.3504838170050557
Energy: 1.7227934168379309
Energy: 1.3504838170050557
Energy: 1.722793416837026
Energy: 1.3504838170050557
Energy: 1.7220500685948061
Energy: 1.5686324722699927
Energy: 1.7220500685957114
Energy: 1.5686324722708975
Energy: 1.7220500685948061
Energy: 1.5686324722708975
Energy: 1.5826341027318853
Energy: 1.4292107678227068
Energy: 1.5826341027318853
Energy: 1.4292107678213495
Energy: 1.5826341027332427
Energy: 1.4292107678213495
Energy: 1.4227810536886552
Energy: 1.4288889325684115
Energy: 1.4227810536872978
Energy: 1.4288889325666017
Energy: 1.4227810536868453
Energy: 1.4288889325670542
Energy: 1.6354739532046307
Energy: 1.5517349792669988
Energy: 1.6354739532046307
Energy: 1.5517349792669988
Energy: 1.6354739532059883
Energy: 1.551734979266546
Energy: 1.5299242212648088
Energy: 1.4228602072894592
Energy: 1.5299242212648088
Energy: 1.4228602072899117
Energy: 1.5299242212657136
Energy: 1.4228602072903642
Energy: 1.386914443661691
Energy: 1.4221113101465341
Energy: 1.3869144436603331
Energy: 1.4221113101460818
Energy: 1.3869144436576184
Energy: 1.4221113101456293
Energy: 1.5916408810685274
Energy: 1.6815276613020123
Energy: 1.591673757648156
Energy: 1.6815276613020123
Energy: 1.5916408810662648
Energy: 1.6815276613024648
Energy: 1.3448355150572808
Energy: 1.798915800662169
Energy: 1.3451769458318277
Energy: 1.798915800664884
Energy: 1.3448355150541134
Energy: 1.798915800664884
Energy: 1.517408479048652
Energy: 1.4233900725111126
Energy: 1.517408479052272
Energy: 1.4233900725138278
Energy: 1.517408479051367
Energy: 1.4233900725138278
Energy: 1.39119044344461
Energy: 1.6572152278925802
Energy: 1.3911897071734651
Energy: 1.6572152278934855
Energy: 1.3911904434428002
Energy: 1.6572152278934855
Energy: 1.7363521067624261
Energy: 1.5315685689093215
Energy: 1.736352106760616
Energy: 1.5315685689093215
Energy: 1.7363521067579009
Energy: 1.5315685689093215
Energy: 1.4191105597743083
Energy: 1.4029529580519184
Energy: 1.4201181397517642
Energy: 1.4029529580492035
Energy: 1.4191105597743083
Energy: 1.402952958048751
Energy: 1.7763998484626535
Energy: 1.5704694196245041
Energy: 1.7227667631966688
Energy: 1.570469419624957
Energy: 1.776399848464011
Energy: 1.570469419624957
Energy: 1.7780073059657788
Energy: 1.5843352058406883
Energy: 1.7218488489817994
Energy: 1.5843352058406883
Energy: 1.7780073059648738
Energy: 1.5843352058406883
Energy: 1.4238005169299226
Energy: 1.427612694466524
Energy: 1.42380051692947
Energy: 1.4276126944687455
Energy: 1.4238005169281127
Energy: 1.4276126944678404
Energy: 1.6561563159199386
Energy: 1.4288346620588772
Energy: 1.6561563159208437
Energy: 1.428834662060687
Energy: 1.6561563159190336
Energy: 1.428834662060687
Energy: 1.3907450450585614
Energy: 1.667712299434035
Energy: 1.3907450450576566
Energy: 1.667712299434035
Energy: 1.3907450450567516
Energy: 1.6677122994335822
Energy: 2.064959075529622
Energy: 1.4251885068788293
Energy: 2.064959075528264
Energy: 1.4251885068806394
Energy: 2.064959075528264
Energy: 1.4251885068806394
Energy: 1.3510561550687157
Energy: 1.3487549466267503
Energy: 1.3510561550678106
Energy: 1.3487549466195514
Energy: 1.351056155064684
Energy: 1.3487549466213613
Energy: 1.5924663648355704
Energy: 1.6906541402302324
Energy: 1.5925866672720232
Energy: 1.6906541402279698
Energy: 1.5924663648328554
Energy: 1.6906541402279698
Energy: 1.4298821267927768
Energy: 1.5825968061859381
Energy: 1.4298821267927768
Energy: 1.5825968061872955
Energy: 1.4298821267927768
Energy: 1.5825968061863904
Energy: 1.4283791939493666
Energy: 1.4224215323791
Energy: 1.4283791939502717
Energy: 1.42242153237729
Energy: 1.4283791939502717
Energy: 1.42242153237729
Energy: 1.6203980963974385
Energy: 1.5846295400218564
Energy: 1.620398096395176
Energy: 1.5846295400214039
Energy: 1.6203980963960807
Energy: 1.5846295400218564
Energy: 1.4356130132308984
Energy: 1.5304612802954296
Energy: 1.4356144315234207
Energy: 1.530461280294977
Energy: 1.435613013229088
Energy: 1.5304612802954296
Energy: 1.4558317500566647
Energy: 1.385391788746296
Energy: 1.4558317500557596
Energy: 1.385391788746296
Energy: 1.455831750055307
Energy: 1.385391788746296
Energy: 1.7219396942183511
Energy: 1.572551820999349
Energy: 1.721939694217446
Energy: 1.572551821001159
Energy: 1.7219396942169936
Energy: 1.572551821001159
Energy: 1.8010533637514925
Energy: 1.2960766558424628
Energy: 1.80105336375104
Energy: 1.296076655844273
Energy: 1.8010533637514925
Energy: 1.296076655844273
Energy: 1.419985103908757
Energy: 1.3729334680964649
Energy: 1.4199851039101146
Energy: 1.3729334680969176
Energy: 1.4199851039096618
Energy: 1.3729334680969176

minimum gb energy = 1.2960766558424628 eV
minimum distance =  2.32969380022205 Angstroms
sigma value = 51


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

Energy: 1.500309789840445
Energy: 1.5019164115388057
Energy: 1.500309789840445
Energy: 1.5019164115388057
Energy: 1.500309789840445
Energy: 1.5019164115388057
Energy: 1.7410013986610375
Energy: 1.4189582450272216
Energy: 1.7410013986610375
Energy: 1.4189582450272216
Energy: 1.7410013986620858
Energy: 1.4189582450272216
Energy: 1.4412185933223016
Energy: 1.4669687372806792
Energy: 1.4412185933233501
Energy: 1.4669687372806792
Energy: 1.4412185933233501
Energy: 1.4669687372806792
Energy: 1.4755986877552183
Energy: 1.3046721542867528
Energy: 1.4755986877552183
Energy: 1.3046721542867528
Energy: 1.4755986877552183
Energy: 1.3046721542867528
Energy: 1.5200368659018106
Energy: 1.4583715715896768
Energy: 1.5200368659007621
Energy: 1.4583715715896768
Energy: 1.5200368659007621
Energy: 1.4583715715896768
Energy: 1.5186175139889762
Energy: 1.4581321864712171
Energy: 1.5186175139889762
Energy: 1.4581321864712171
Energy: 1.5186175139889762
Energy: 1.4581321864722656
Energy: 1.454109628311845
Energy: 1.4584278931804366
Energy: 1.454109628311845
Energy: 1.4584278931804366
Energy: 1.4541096283128936
Energy: 1.4584278931804366
Energy: 1.386409656924181
Energy: 1.4589482037056134
Energy: 1.386409656924181
Energy: 1.4589482037056134
Energy: 1.3864096569231326
Energy: 1.4589482037056134
Energy: 1.7152434738903317
Energy: 1.3000847584416115
Energy: 1.7152434738892834
Energy: 1.3000847584416115
Energy: 1.7152434738903317
Energy: 1.3000847584416115
Energy: 1.3313351967228828
Energy: 1.711235946826006
Energy: 1.3313351967218343
Energy: 1.711235946826006
Energy: 1.3313351967218343
Energy: 1.711235946826006
Energy: 1.723706415563021
Energy: 1.3171769927997665
Energy: 1.723706415563021
Energy: 1.3171769927997665
Energy: 1.723706415563021
Energy: 1.3171769927997665
Energy: 1.5055906300651818
Energy: 1.504723792492307
Energy: 1.5055906300651818
Energy: 1.504723792492307
Energy: 1.505590630064133
Energy: 1.504723792492307
Energy: 1.7588719501298917
Energy: 1.419425649356575
Energy: 1.7588719501309404
Energy: 1.419425649356575
Energy: 1.7588719501298917
Energy: 1.419425649356575
Energy: 1.4412398890384
Energy: 1.4058424677055628
Energy: 1.4412398890384
Energy: 1.4058424677055628
Energy: 1.4412398890384
Energy: 1.4058424677055628
Energy: 1.5156616837431618
Energy: 1.4873124991514457
Energy: 1.5156616837442103
Energy: 1.4873124991514457
Energy: 1.5156616837442103
Energy: 1.4873124991514457
Energy: 1.5191227335164756
Energy: 1.4582257711658881
Energy: 1.5191227335164756
Energy: 1.4582257711658881
Energy: 1.5191227335164756
Energy: 1.4582257711669364
Energy: 1.5216522777927184
Energy: 1.600272040055413
Energy: 1.5216522777927184
Energy: 1.600272040055413
Energy: 1.5216522777927184
Energy: 1.6002720400564612
Energy: 1.4568017030903413
Energy: 1.458669575829003
Energy: 1.4568017030903413
Energy: 1.458669575829003
Energy: 1.4568017030903413
Energy: 1.458669575829003

minimum gb energy = 1.3000847584416115 eV
minimum distance =  2.24313026081556 Angstroms
sigma value = 19


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

Energy: 1.202436029838014
Energy: 1.225391037353113
Energy: 1.202436029838014
Energy: 1.2253910373524912
Energy: 1.202436029838014
Energy: 1.2253910373524912
Energy: 1.4724543067179334
Energy: 1.5117382257232979
Energy: 1.4724543067179334
Energy: 1.5117382257232979
Energy: 1.4724543067179334
Energy: 1.5117382257232979
Energy: 1.1589385921301065
Energy: 1.510941263549749
Energy: 1.1589385921307283
Energy: 1.510941263549127
Energy: 1.1589385921307283
Energy: 1.510941263549127
Energy: 1.2635673998155845
Energy: 1.1589447855357908
Energy: 1.2635673998162062
Energy: 1.1589447855364128
Energy: 1.2635673998162062
Energy: 1.158944785535169
Energy: 1.1816456052380935
Energy: 1.2014372168806104
Energy: 1.1816456052380935
Energy: 1.2014372168818541
Energy: 1.1816456052368496
Energy: 1.2014372168812326
Energy: 1.181704405966555
Energy: 1.2012323575667332
Energy: 1.1817044059671766
Energy: 1.2012323575667332
Energy: 1.1817044059671766
Energy: 1.201232357566111
Energy: 1.2636974812513098
Energy: 1.158948784440006
Energy: 1.2636974812513098
Energy: 1.1589487844406277
Energy: 1.2636974812513098
Energy: 1.1589487844406277
Energy: 1.1589197619020508
Energy: 1.5109506864215623
Energy: 1.1589197619026728
Energy: 1.5109506864215623
Energy: 1.1589197619026728
Energy: 1.5109506864215623
Energy: 1.4723353655274154
Energy: 1.511692488691087
Energy: 1.4723353655274154
Energy: 1.511692488691087
Energy: 1.4723353655280373
Energy: 1.511692488691087
Energy: 1.202436029838014
Energy: 1.2253910373524912
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.4724543067185554
Energy: 1.5117382257232979
Energy: 1.4724543067179334
Energy: 1.5117382257226761
Energy: 1.4724543067179334
Energy: 1.5117382257226761
Energy: 1.1589385921307283
Energy: 1.510941263549127
Energy: 1.1589385921307283
Energy: 1.510941263549749
Energy: 1.1589385921307283
Energy: 1.510941263549749
Energy: 1.2635673998162062
Energy: 1.158944785534547
Energy: 1.2635673998155845
Energy: 1.1589447855357908
Energy: 1.2635673998149626
Energy: 1.158944785534547
Energy: 1.1816456052374718
Energy: 1.2014372168812326
Energy: 1.1816456052380935
Energy: 1.2014372168818541
Energy: 1.1816456052368496
Energy: 1.2014372168812326
Energy: 1.1817044059677986
Energy: 1.2012323575667332
Energy: 1.1817044059677986
Energy: 1.201232357566111
Energy: 1.181704405966555
Energy: 1.2012323575667332
Energy: 1.2636974812513098
Energy: 1.1589487844393838
Energy: 1.2636974812519317
Energy: 1.1589487844406277
Energy: 1.2636974812513098
Energy: 1.1589487844406277
Energy: 1.1589197619026728
Energy: 1.5109506864215623
Energy: 1.1589197619026728
Energy: 1.5109506864221844
Energy: 1.1589197619020508
Energy: 1.5109506864215623
Energy: 1.4723353655280373
Energy: 1.511692488691709
Energy: 1.4723353655274154
Energy: 1.511692488690465
Energy: 1.4723353655280373
Energy: 1.511692488690465
Energy: 1.202436029838014
Energy: 1.2253910373524912
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.4724543067185554
Energy: 1.5117382257226761
Energy: 1.4724543067179334
Energy: 1.5117382257226761
Energy: 1.4724543067179334
Energy: 1.5117382257226761
Energy: 1.1589385921301065
Energy: 1.510941263549749
Energy: 1.1589385921307283
Energy: 1.510941263549749
Energy: 1.1589385921307283
Energy: 1.510941263549749
Energy: 1.2635673998155845
Energy: 1.158944785535169
Energy: 1.2635673998168282
Energy: 1.158944785534547
Energy: 1.2635673998162062
Energy: 1.158944785535169
Energy: 1.1816456052368496
Energy: 1.2014372168806104
Energy: 1.1816456052368496
Energy: 1.2014372168806104
Energy: 1.1816456052374718
Energy: 1.2014372168818541
Energy: 1.1817044059671766
Energy: 1.2012323575667332
Energy: 1.181704405966555
Energy: 1.201232357566111
Energy: 1.1817044059659327
Energy: 1.2012323575667332
Energy: 1.2636974812519317
Energy: 1.158948784440006
Energy: 1.2636974812519317
Energy: 1.1589487844393838
Energy: 1.2636974812513098
Energy: 1.1589487844406277
Energy: 1.1589197619026728
Energy: 1.5109506864209403
Energy: 1.1589197619026728
Energy: 1.5109506864215623
Energy: 1.1589197619026728
Energy: 1.5109506864215623
Energy: 1.4723353655274154
Energy: 1.5116924886885994
Energy: 1.4723353655267937
Energy: 1.5116924886885994
Energy: 1.4723353655261717
Energy: 1.5116924886885994
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.2024360298386356
Energy: 1.2253910373524912
Energy: 1.4724543067179334
Energy: 1.5117382257226761
Energy: 1.4724543067173115
Energy: 1.5117382257226761
Energy: 1.4724543067179334
Energy: 1.5117382257226761
Energy: 1.1589385921313504
Energy: 1.510941263549749
Energy: 1.1589385921313504
Energy: 1.510941263549749
Energy: 1.1589385921307283
Energy: 1.510941263549749

minimum gb energy = 1.1589197619020508 eV
minimum distance =  2.24531396877068 Angstroms
sigma value = 27


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

Energy: 1.2120486909482886
Energy: 1.174299821539741
Energy: 1.2120486909482886
Energy: 1.174299821539741
Energy: 1.2120486909482886
Energy: 1.1742998215412646
Energy: 1.4988973624074982
Energy: 1.228071922722246
Energy: 1.4988973624059752
Energy: 1.228071922722246
Energy: 1.4988973624074982
Energy: 1.228071922722246
Energy: 1.2192694401111375
Energy: 1.3549966429709444
Energy: 1.2192694401537578
Energy: 1.3549966429724676
Energy: 1.219269440050202
Energy: 1.3549966429724676
Energy: 1.5368516468108535
Energy: 1.1408061771167297
Energy: 1.5368516468108535
Energy: 1.1408061771167297
Energy: 1.5368516468108535
Energy: 1.1408061771167297
Energy: 1.5389313137776983
Energy: 1.1405566270547791
Energy: 1.5389313137776983
Energy: 1.1405566270547791
Energy: 1.5389313137761749
Energy: 1.1405566270547791
Energy: 1.4152710092465268
Energy: 1.475136444014706
Energy: 1.4152710092465268
Energy: 1.475136444014706
Energy: 1.4152710092465268
Energy: 1.475136444014706
Energy: 1.3346160673469887
Energy: 1.2317385536271734
Energy: 1.3346160673454657
Energy: 1.2317385536271734
Energy: 1.3346160673469887
Energy: 1.2317385536271734
Energy: 1.2092255047019072
Energy: 1.1757939314805497
Energy: 1.2092255047019072
Energy: 1.1757939314805497
Energy: 1.2092255047019072
Energy: 1.1757939314805497
Energy: 1.5102896307255191
Energy: 1.2195549596638882
Energy: 1.5102896307255191
Energy: 1.2195549616997514
Energy: 1.5102896307255191
Energy: 1.2195549496627718
Energy: 1.3283831892319597
Energy: 1.4410450349953792
Energy: 1.3283831892319597
Energy: 1.4410450349984256
Energy: 1.3283831892319597
Energy: 1.4410450349969024
Energy: 1.600296308311042
Energy: 1.1408033185752076
Energy: 1.285147135750124
Energy: 1.1408033185752076
Energy: 1.600296308311042
Energy: 1.1408033185752076
Energy: 1.471034200213858
Energy: 1.3590823100127862
Energy: 1.471034200213858
Energy: 1.3590823100127862
Energy: 1.471034200213858
Energy: 1.3590823100127862

minimum gb energy = 1.1405566270547791 eV
minimum distance =  2.2210249817371 Angstroms
sigma value = 9


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

Energy: 1.263476068982263
Energy: 1.203382641940527
Energy: 1.263476068983119
Energy: 1.2033826419409546
Energy: 1.263476068982263
Energy: 1.203382641940527
Energy: 1.2654571855855958
Energy: 1.139493909606545
Energy: 1.2654571855855958
Energy: 1.139493909606973
Energy: 1.2654571855860237
Energy: 1.139493909606973
Energy: 1.075879369817397
Energy: 1.5001920612016675
Energy: 1.075879369817397
Energy: 1.5001920612012398
Energy: 1.075879369817397
Energy: 1.5001920612012398
Energy: 1.103745672842552
Energy: 1.0559705306593632
Energy: 1.10374567284298
Energy: 1.0559705306593632
Energy: 1.1037456728434083
Energy: 1.0559705306593632
Energy: 1.2248720885844304
Energy: 1.1610820159741462
Energy: 1.2248720885827185
Energy: 1.1610820159741462
Energy: 1.2248720885840025
Energy: 1.1610820159745743
Energy: 1.224029391884162
Energy: 1.246761686424013
Energy: 1.2240293918837337
Energy: 1.1954564966337304
Energy: 1.2240293918837337
Energy: 1.246761686423157
Energy: 1.1488243622852337
Energy: 1.2618446173095488
Energy: 1.1488243622856618
Energy: 1.2618446173095488
Energy: 1.1488243622852337
Energy: 1.261844617309977
Energy: 1.028401557977801
Energy: 1.2554515858747433
Energy: 1.028401557978657
Energy: 1.2554515858747433
Energy: 1.0284015579782289
Energy: 1.2554515858747433
Energy: 1.3909691713943912
Energy: 1.1605955410183626
Energy: 1.3909691713995278
Energy: 1.1605955410187907
Energy: 1.3909691713986718
Energy: 1.1605955410183626
Energy: 1.2162485816279054
Energy: 1.4717761034019017
Energy: 1.2162485816287614
Energy: 1.4717761034019017
Energy: 1.2162485816283335
Energy: 1.4717761034023298
Energy: 1.1022685438165476
Energy: 1.060227584293636
Energy: 1.1022685438174038
Energy: 1.060227584294064
Energy: 1.1022685438165476
Energy: 1.060227584294064
Energy: 1.1489267505407201
Energy: 1.2578365600123416
Energy: 1.1489267505415761
Energy: 1.2578365600123416
Energy: 1.1489267505407201
Energy: 1.2578365600119135
Energy: 1.3173756441451658
Energy: 1.190845224431473
Energy: 1.3173756441455937
Energy: 1.1908452244319012
Energy: 1.3173756441451658
Energy: 1.190845224431473
Energy: 1.2615567696839567
Energy: 1.5677108218691733
Energy: 1.2615567696843848
Energy: 1.5677108218687452
Energy: 1.2615567696843848
Energy: 1.5677108218687452
Energy: 1.0751266110125532
Energy: 1.230136669736237
Energy: 1.0751266110125532
Energy: 1.230136669736237
Energy: 1.0751266110121254
Energy: 1.230136669736237
Energy: 1.3271565370543237
Energy: 1.150147066719602
Energy: 1.3271565370534677
Energy: 1.1501470667204583
Energy: 1.3271565370543237
Energy: 1.150147066719602
Energy: 1.4302639614319488
Energy: 1.0564171093841688
Energy: 1.4302639614323769
Energy: 1.0564171093828845
Energy: 1.4302639614319488
Energy: 1.0564171093837407
Energy: 1.0881260638454702
Energy: 1.165326771155218
Energy: 1.0881260638458983
Energy: 1.165326771155218
Energy: 1.0881260638463266
Energy: 1.16532677115479
Energy: 1.0248806822789698
Energy: 1.4734161035102877
Energy: 1.0248806822793977
Energy: 1.4734161035098596
Energy: 1.0248806822793977
Energy: 1.4734161035102877
Energy: 1.4697370597699644
Energy: 1.2582558838915663
Energy: 1.4697370597686803
Energy: 1.2582558838919942
Energy: 1.4697370597691082
Energy: 1.2582558838919942
Energy: 1.0248670303462828
Energy: 1.4740503975218435
Energy: 1.024867030346711
Energy: 1.4740503975218435
Energy: 1.024867030346711
Energy: 1.4740503975218435
Energy: 1.0884559810486305
Energy: 1.1653753299054828
Energy: 1.0884559810486305
Energy: 1.1653753299054828
Energy: 1.0884559810490586
Energy: 1.165375329905911
Energy: 1.4303713235264361
Energy: 1.0568641188672074
Energy: 1.4303713235272921
Energy: 1.0568641188667791
Energy: 1.4303713235264361
Energy: 1.0568641188667791
Energy: 1.327146339749929
Energy: 1.2463607158057235
Energy: 1.327146339749929
Energy: 1.2463607158052956
Energy: 1.3271463397503571
Energy: 1.2463607158048673
Energy: 1.0752663256408674
Energy: 1.2298800283167284
Energy: 1.0752663256412955
Energy: 1.2298800283175846
Energy: 1.0752663256408674
Energy: 1.2298800283171567
Energy: 1.2616447718135348
Energy: 1.2991520448118665
Energy: 1.2616447718135348
Energy: 1.2991520448114384
Energy: 1.2616447718135348
Energy: 1.2991520448114384
Energy: 1.3173525327036772
Energy: 1.1908915445898005
Energy: 1.3173525327032494
Energy: 1.1908915445898005
Energy: 1.3173525327028213
Energy: 1.1908915445898005
Energy: 1.1491448572140577
Energy: 1.1728565619394709
Energy: 1.1491448572123457
Energy: 1.1728565619394709
Energy: 1.1491448572136298
Energy: 1.1728565619390428
Energy: 1.1023602299761357
Energy: 1.0602783957983093
Energy: 1.1023602299757078
Energy: 1.0602783957987374
Energy: 1.1023602299757078
Energy: 1.0602783957991657
Energy: 1.2073284122176007
Energy: 1.4844656648087045
Energy: 1.2073284122167447
Energy: 1.4844656648087045
Energy: 1.2073284122176007
Energy: 1.4844656648087045
Energy: 1.3907721065825127
Energy: 1.1608284958434771
Energy: 1.3907721065846528
Energy: 1.1608284958434771
Energy: 1.3907721065837968
Energy: 1.1608284958434771
Energy: 1.0284368785750677
Energy: 1.2553066226551404
Energy: 1.0284368785750677
Energy: 1.2553066226555685
Energy: 1.0284368785750677
Energy: 1.2553066226547123
Energy: 1.1491283111052806
Energy: 1.2621992632369836
Energy: 1.1491283111044244
Energy: 1.2621992632378396
Energy: 1.1491283111044244
Energy: 1.2621992632374115
Energy: 1.223857210206637
Energy: 1.1955037797156063
Energy: 1.2238572102070653
Energy: 1.1955037797151782
Energy: 1.223857210206637
Energy: 1.1955037797151782
Energy: 1.2248663526478287
Energy: 1.1610810969755816
Energy: 1.2248663526478287
Energy: 1.1610810969768657
Energy: 1.2248663526478287
Energy: 1.1610810969755816
Energy: 1.1037329379788539
Energy: 1.055755466150677
Energy: 1.1037329379788539
Energy: 1.0557554661502488
Energy: 1.1037329379788539
Energy: 1.055755466149821
Energy: 1.0758594641181116
Energy: 1.500201889237102
Energy: 1.0758594641185397
Energy: 1.5002018892366742
Energy: 1.0758594641193957
Energy: 1.500201889235818
Energy: 1.2646298103503795
Energy: 1.1426772247777854
Energy: 1.2646298103508073
Energy: 1.1426772247777854
Energy: 1.2646298103490954
Energy: 1.1426772247773571
Energy: 1.263476068983119
Energy: 1.203382641940527
Energy: 1.263476068983119
Energy: 1.2033826419400986
Energy: 1.2634760689835471
Energy: 1.203382641940527
Energy: 1.2654571855847396
Energy: 1.1476514230862744
Energy: 1.265457185585168
Energy: 1.1476514230862744
Energy: 1.2654571855847396
Energy: 1.1476514230858463
Energy: 1.0758793698186808
Energy: 1.5001920612038078
Energy: 1.0758793698178248
Energy: 1.5001920612042359
Energy: 1.0758793698186808
Energy: 1.5001920612042359
Energy: 1.103745672842552
Energy: 1.0559705306602192
Energy: 1.10374567284298
Energy: 1.055970530660647
Energy: 1.103745672842124
Energy: 1.0559705306602192
Energy: 1.2248720885848585
Energy: 1.1610820159741462
Energy: 1.2248720885844304
Energy: 1.1610820159741462
Energy: 1.2248720885857145
Energy: 1.1610820159737183

minimum gb energy = 1.0248670303462828 eV
minimum distance =  2.30167504718723 Angstroms
sigma value = 57


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

Energy: 0.5503070107409532
Energy: 0.5628653860414321
Energy: 0.5503070107409532
Energy: 0.5628653860404579
Energy: 0.5503070107399788
Energy: 0.5628653860385092
Energy: 0.7101141429799612
Energy: 0.5511008737046491
Energy: 0.7101141429799612
Energy: 0.5511008737046491
Energy: 0.7101141429799612
Energy: 0.5511008737046491
Energy: 0.617865716853695
Energy: 0.6811441308672999
Energy: 0.6178657168546693
Energy: 0.6811441308663255
Energy: 0.6178657168546693
Energy: 0.6811441308672999
Energy: 0.562728439764964
Energy: 0.5501954529288676
Energy: 0.5627284397620408
Energy: 0.5501954529249702
Energy: 0.562728439764964
Energy: 0.5501954529278932
Energy: 0.7106033582724718
Energy: 0.716020736340647
Energy: 0.7106033582724718
Energy: 0.716020736340647
Energy: 0.7106033582724718
Energy: 0.716020736340647
Energy: 0.550399143961104
Energy: 0.6171399476491379
Energy: 0.550399143961104
Energy: 0.6171399476481635
Energy: 0.550399143961104
Energy: 0.6171399476481635
Energy: 0.5505227641957146
Energy: 0.6170459040765678
Energy: 0.5505227641937659
Energy: 0.6170459040765678
Energy: 0.5505227641957146
Energy: 0.6170459040755935
Energy: 0.7106896371265154
Energy: 0.7159637490978289
Energy: 0.7106896371265154
Energy: 0.7159637490978289
Energy: 0.7106896371265154
Energy: 0.7159637490988033
Energy: 0.5627245314446715
Energy: 0.5501591191816471
Energy: 0.5627245314446715
Energy: 0.5501591191835957
Energy: 0.562724531443697
Energy: 0.550159119178724
Energy: 0.6178314841605461
Energy: 0.6812009339648852
Energy: 0.6178314841605461
Energy: 0.6812009339648852
Energy: 0.6178314841615205
Energy: 0.6812009339648852
Energy: 0.7102016780485167
Energy: 0.5510641648836508
Energy: 0.7102016780475424
Energy: 0.5510641648836508
Energy: 0.7102016780485167
Energy: 0.5510641648836508
Energy: 0.5503070107409532
Energy: 0.5628653860404579
Energy: 0.5503070107409532
Energy: 0.5628653860404579
Energy: 0.5503070107409532
Energy: 0.5628653860394836
Energy: 0.7101141429799612
Energy: 0.5511008737046491
Energy: 0.710114142978987
Energy: 0.5511008737046491
Energy: 0.7101141429799612
Energy: 0.5511008737046491
Energy: 0.6178657168546693
Energy: 0.6811441308682742
Energy: 0.617865716853695
Energy: 0.6811441308682742
Energy: 0.617865716853695
Energy: 0.6811441308672999
Energy: 0.5627284397610665
Energy: 0.5501954529278932
Energy: 0.562728439764964
Energy: 0.5501954529288676
Energy: 0.5627284397639896
Energy: 0.5501954529269188
Energy: 0.7106033582724718
Energy: 0.7160207363416213
Energy: 0.7106033582724718
Energy: 0.716020736340647
Energy: 0.7106033582724718
Energy: 0.716020736340647
Energy: 0.550399143961104
Energy: 0.6171399476491379
Energy: 0.550399143961104
Energy: 0.6171399476481635
Energy: 0.550399143961104
Energy: 0.6171399476481635
Energy: 0.5505227641957146
Energy: 0.6170459040755935
Energy: 0.5505227641947402
Energy: 0.6170459040765678
Energy: 0.5505227641957146
Energy: 0.6170459040755935
Energy: 0.7106896371265154
Energy: 0.7159637490988033
Energy: 0.7106896371255411
Energy: 0.7159637490988033
Energy: 0.7106896371265154
Energy: 0.7159637490988033

minimum gb energy = 0.550159119178724 eV
minimum distance =  2.40637267727433 Angstroms
sigma value = 11


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

Energy: 1.1092090506762298
Energy: 1.0890675794980125
Energy: 1.1092090506762298
Energy: 1.0890675794987266
Energy: 1.109209050677657
Energy: 1.0890675794980125
Energy: 1.2005719688801122
Energy: 1.1168680539787832
Energy: 1.2005719688808256
Energy: 1.1168680539787832
Energy: 1.2005719688801122
Energy: 1.1168680539787832
Energy: 1.152562969202706
Energy: 1.5799382131198396
Energy: 1.1525629692034196
Energy: 1.5799382131198396
Energy: 1.1525629692041333
Energy: 1.5799382131191257
Energy: 1.2126327086111324
Energy: 0.9424218974448711
Energy: 1.21263270861256
Energy: 0.9424218974455849
Energy: 1.21263270861256
Energy: 0.9424218974455849
Energy: 1.0582793883075252
Energy: 0.9036242342878803
Energy: 1.0582793883075252
Energy: 0.9036242342885938
Energy: 1.0582793883075252
Energy: 0.9036242342885938
Energy: 1.0806630526304217
Energy: 1.1970825429832956
Energy: 1.0806630526311354
Energy: 1.1970825429832956
Energy: 1.0806630526311354
Energy: 1.1970825429825815
Energy: 0.9120728902960553
Energy: 1.2827065349691182
Energy: 0.9120728902967691
Energy: 1.2827065349698321
Energy: 0.9120728902960553
Energy: 1.2827065349691182
Energy: 1.1169962571502823
Energy: 0.8688062868665938
Energy: 1.116996257148855
Energy: 0.8688062868673074
Energy: 1.1169962571502823
Energy: 0.8688062868665938
Energy: 1.1135789131362663
Energy: 0.872764571784254
Energy: 1.1135789131369802
Energy: 0.872764571784254
Energy: 1.1135789131362663
Energy: 0.872764571784254
Energy: 0.8889747025646403
Energy: 1.3597035828646078
Energy: 0.8889747025646403
Energy: 1.3597035828646078
Energy: 0.8889747025646403
Energy: 1.3597035828646078
Energy: 1.0939357296265955
Energy: 1.3707083663677788
Energy: 1.0939357296265955
Energy: 1.3707083663670654
Energy: 1.0939357296265955
Energy: 1.3707083663677788
Energy: 1.0606545917978327
Energy: 0.9042100295114147
Energy: 1.0606545917971189
Energy: 0.9042100295114147
Energy: 1.0606545917978327
Energy: 0.9042100295114147
Energy: 1.1515764856192443
Energy: 0.948645446455722
Energy: 1.1515764856192443
Energy: 0.948645446455722
Energy: 1.1515764856185309
Energy: 0.9486454464550083
Energy: 1.2126031033717777
Energy: 1.549046171520779
Energy: 1.2126031033724916
Energy: 1.549046171520779
Energy: 1.2126031033724916
Energy: 1.5490461715200654
Energy: 1.1990101739679249
Energy: 1.1132517012934047
Energy: 1.199010173970066
Energy: 1.1132517012934047
Energy: 1.1990101739686385
Energy: 1.1132517012941185
Energy: 1.1098690417488077
Energy: 1.1271579533864122
Energy: 1.1098690417509487
Energy: 1.1271579533864122
Energy: 1.1098690417502353
Energy: 1.1271579533864122
Energy: 1.0299800306617106
Energy: 1.0550053791936553
Energy: 1.0299800306617106
Energy: 1.0550053791936553
Energy: 1.0299800306617106
Energy: 1.0550053791929417
Energy: 1.394856470321271
Energy: 1.5401204818057825
Energy: 1.394856470321271
Energy: 1.5401204818036414
Energy: 1.394856470321271
Energy: 1.5401204818029277
Energy: 1.2984840557367945
Energy: 0.9385468899604862
Energy: 1.2984840557360808
Energy: 0.9385468899604862
Energy: 1.2984840557367945
Energy: 0.9385468899604862
Energy: 1.0603840631651082
Energy: 1.0333984312075062
Energy: 1.0603840631651082
Energy: 1.0333984312067923
Energy: 1.060384063165822
Energy: 1.0333984312075062
Energy: 0.8902643801674968
Energy: 1.1802671111729477
Energy: 0.890264380166783
Energy: 1.1802671111729477
Energy: 0.8902643801674968
Energy: 1.1802671111729477
Energy: 1.1754237316885066
Energy: 1.2826372736948037
Energy: 1.1754237316856517
Energy: 1.2826372736948037
Energy: 1.175423731687079
Energy: 1.2826372736948037
Energy: 1.2325210778981874
Energy: 1.0512245630615824
Energy: 1.2325210778996152
Energy: 1.0512245630615824
Energy: 1.2325210778974736
Energy: 1.0512245630615824
Energy: 1.11531618113671
Energy: 0.9778736160438976
Energy: 1.11531618113671
Energy: 0.9778736160446111
Energy: 1.11531618113671
Energy: 0.9778736160446111
Energy: 0.8903042504234572
Energy: 1.355816712440476
Energy: 0.8903042504227435
Energy: 1.355816712440476
Energy: 0.8903042504220299
Energy: 1.355816712440476
Energy: 1.6287927265414992
Energy: 1.1778096024155462
Energy: 1.6287927265414992
Energy: 1.1778096024162599
Energy: 1.6287927265422126
Energy: 1.1778096024148326

minimum gb energy = 0.8688062868665938 eV
minimum distance =  2.29198192946303 Angstroms
sigma value = 41


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

Energy: 1.2538198093851405
Energy: 1.049866430431433
Energy: 1.253819809384578
Energy: 1.049866430431433
Energy: 1.2538198093851405
Energy: 1.049866430431433
Energy: 1.237491327095208
Energy: 1.2831596074977782
Energy: 1.2374913270946455
Energy: 1.2831596074977782
Energy: 1.237491327095208
Energy: 1.2831596074977782
Energy: 1.5364128559940895
Energy: 1.4604977585523398
Energy: 1.536412855994652
Energy: 1.4604977585529022
Energy: 1.5364128559940895
Energy: 1.4604977585517769
Energy: 1.1670866907519744
Energy: 0.9850160082418027
Energy: 1.1670866907519744
Energy: 0.9850160082418027
Energy: 1.1670866907519744
Energy: 0.9850160082418027
Energy: 0.9635811917260416
Energy: 1.0422833837916619
Energy: 0.9635811917254791
Energy: 1.0422833837910992
Energy: 0.9635811917260416
Energy: 1.0422833837910992
Energy: 1.2242641892843056
Energy: 1.456931786611803
Energy: 1.2242641892843056
Energy: 1.456931786611803
Energy: 1.224264189283743
Energy: 1.456931786611803
Energy: 0.9862566795886307
Energy: 1.372737720536057
Energy: 0.9862566795886307
Energy: 1.372737720536057
Energy: 0.9862566795886307
Energy: 1.372737720536057
Energy: 0.9639307220169914
Energy: 0.985945229065899
Energy: 0.9639307220164288
Energy: 0.985945229065899
Energy: 0.9639307220164288
Energy: 0.9859452290670241
Energy: 0.9779440614733907
Energy: 1.0245114485715405
Energy: 0.9779440614733907
Energy: 1.024511448572103
Energy: 0.9779440614733907
Energy: 1.024511448572103
Energy: 1.0531119497524692
Energy: 1.483287822452575
Energy: 1.0531119497530317
Energy: 1.483287822452575
Energy: 1.0531119497530317
Energy: 1.483287822452575
Energy: 1.0535449394756495
Energy: 1.1590562170981797
Energy: 1.0535449394751382
Energy: 1.1590562170987424
Energy: 1.0535449394756495
Energy: 1.1590562170976173
Energy: 0.951655528133014
Energy: 1.163274413113867
Energy: 0.9516555281341391
Energy: 1.1632744131133046
Energy: 0.9516555281335766
Energy: 1.1632744131133046
Energy: 0.96408637791058
Energy: 1.0237616488363164
Energy: 0.9640863779111426
Energy: 1.0237616488363164
Energy: 0.9640863779111426
Energy: 1.0237616488363164
Energy: 0.9284942415538471
Energy: 1.3859521564425847
Energy: 0.9284942415544096
Energy: 1.3859521564425847
Energy: 0.9284942415538471
Energy: 1.3859521564425847
Energy: 1.221738791006376
Energy: 1.4616903838834303
Energy: 1.2217387910058135
Energy: 1.4616903838834303
Energy: 1.2217387910052508
Energy: 1.4616903838834303
Energy: 0.9262338563923398
Energy: 1.1701403969570872
Energy: 0.9262338563923398
Energy: 1.1701403969570872
Energy: 0.9262338563923398
Energy: 1.1701403969576496
Energy: 0.9728860596584952
Energy: 1.0232097641164921
Energy: 0.9728860596584952
Energy: 1.0232097641164921
Energy: 0.9728860596590577
Energy: 1.0232097641164921
Energy: 1.2149033783946575
Energy: 1.7720442985622062
Energy: 1.2149033783946575
Energy: 1.7720442985622062
Energy: 1.2149033783946575
Energy: 1.7720442985622062
Energy: 1.237150023935574
Energy: 1.2764144041439294
Energy: 1.2371500239361366
Energy: 1.2764144041439294
Energy: 1.2371500239361366
Energy: 1.2764144041439294
Energy: 1.0528251860577316
Energy: 1.3032238492368633
Energy: 1.052825186057169
Energy: 1.3032238492368633
Energy: 1.0528251860577316
Energy: 1.3032238492374257
Energy: 0.9803449280164608
Energy: 1.2369263600703864
Energy: 0.9803449280164608
Energy: 1.2369263600703864
Energy: 0.9803449280170232
Energy: 1.2369263600703864
Energy: 1.117358814043696
Energy: 1.6084111128215075
Energy: 1.1173588140420085
Energy: 1.6084111128215075
Energy: 1.1173588140431336
Energy: 1.6084111128215075
Energy: 1.1314936227036352
Energy: 0.9867936567367169
Energy: 1.1314936227036352
Energy: 0.9867936567372794
Energy: 1.1314936227036352
Energy: 0.9867936567372794
Energy: 0.9737877123504334
Energy: 1.2915343923002567
Energy: 0.9737877123509958
Energy: 1.2915343923002567
Energy: 0.9737877123504334
Energy: 1.2915343923002567
Energy: 0.9349367868214252
Energy: 1.292871649644918
Energy: 0.9349367868219878
Energy: 1.2928716496454806
Energy: 0.9349367868219878
Energy: 1.2928716496454806
Energy: 0.9862150263175641
Energy: 0.9869990243486852
Energy: 0.9862150263170015
Energy: 0.9869990243481228
Energy: 0.986215026316439
Energy: 0.9869990243486852
Energy: 0.9700973945940874
Energy: 0.9853777198187931
Energy: 0.97009739459465
Energy: 0.9853777198187931
Energy: 0.9700973945940874
Energy: 0.9853777198193555
Energy: 0.9755113146717534
Energy: 1.2354082415242529
Energy: 0.9755113146711908
Energy: 1.2354082415242529
Energy: 0.9755113146711908
Energy: 1.2354082415242529
Energy: 1.0532529311750751
Energy: 1.2980125643041545
Energy: 1.0532529311745127
Energy: 1.2980125643047171
Energy: 1.0532529311750751
Energy: 1.2980125643047171
Energy: 1.4522726050509203
Energy: 0.9273953241113833
Energy: 1.4522726050509203
Energy: 0.9273953241113833
Energy: 1.452272605051483
Energy: 0.9273953241113833
Energy: 0.9538763179834123
Energy: 1.1611672079100155
Energy: 0.9538763179834123
Energy: 1.1611672079100155
Energy: 0.9538763179834123
Energy: 1.1611672079100155
Energy: 0.9941867445997662
Energy: 1.0149952216281126
Energy: 0.9941867446014538
Energy: 1.0149952216281126
Energy: 0.9941867446003287
Energy: 1.0149952216281126
Energy: 0.9343542190095957
Energy: 1.1683950582592986
Energy: 0.9343542190095957
Energy: 1.1683950582587364
Energy: 0.9343542190095957
Energy: 1.1683950582592986

minimum gb energy = 0.9262338563923398 eV
minimum distance =  2.33041231874303 Angstroms
sigma value = 33


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

Energy: 1.1259596357087953
Energy: 1.0421382786368096
Energy: 1.125959635709585
Energy: 1.04213827863602
Energy: 1.1259596357080057
Energy: 1.04213827863602
Energy: 1.4001125402628263
Energy: 0.9847183242288229
Energy: 1.4001125402612469
Energy: 0.9847183242288229
Energy: 1.400112540259668
Energy: 0.9847183242284638
Energy: 1.6322523512969056
Energy: 1.5571389346285853
Energy: 1.632252351296475
Energy: 1.5571389346222686
Energy: 1.6322523512969056
Energy: 1.5571389346203304
Energy: 1.3397333049797775
Energy: 1.005165698126609
Energy: 1.3397333049801363
Energy: 1.0051656981270396
Energy: 1.3397333049805673
Energy: 1.005165698126609
Energy: 1.0285444074493808
Energy: 1.0035285570881758
Energy: 1.0285444074485912
Energy: 1.0035285570901857
Energy: 1.0285444074498116
Energy: 1.0035285570941337
Energy: 1.357251502421077
Energy: 1.0389546427152696
Energy: 1.3572515024206462
Energy: 1.0389546427152696
Energy: 1.357251502421077
Energy: 1.0389546427160594
Energy: 1.0331037619267514
Energy: 1.1336659152188213
Energy: 1.0331037619267514
Energy: 1.1336659152191804
Energy: 1.0331037619267514
Energy: 1.1336659152204005
Energy: 1.0906778095625351
Energy: 1.1012739636734585
Energy: 1.0906778095621763
Energy: 1.1012739636730997
Energy: 1.0906778095617455
Energy: 1.1012739636738893
Energy: 1.0466056392662817
Energy: 1.0559191228542522
Energy: 1.0466056392662817
Energy: 1.0559191228534626
Energy: 1.0466056392666405
Energy: 1.0559191228530322
Energy: 1.4095616610485475
Energy: 1.019633367734166
Energy: 1.4095616610501267
Energy: 1.019633367734166
Energy: 1.4095616610489063
Energy: 1.0196333677337357
Energy: 1.086527675308958
Energy: 1.46313948036689
Energy: 1.086527675307738
Energy: 1.4631394803661004
Energy: 1.0865276753085273
Energy: 1.4631394803664592
Energy: 1.610568754758885
Energy: 1.005296729908881
Energy: 1.6105687547585261
Energy: 1.005296729908881
Energy: 1.610568754758885
Energy: 1.005296729908881
Energy: 1.0578866495374577
Energy: 1.0466956770834441
Energy: 1.057886649536668
Energy: 1.0466956770866025
Energy: 1.0578866495370989
Energy: 1.046695677089761
Energy: 1.1161618918845924
Energy: 1.091945512966481
Energy: 1.116161891885382
Energy: 1.091945512966481
Energy: 1.1161618918857408
Energy: 1.0919455129669118
Energy: 1.1021890133762582
Energy: 1.0320275030130126
Energy: 1.1021890133758276
Energy: 1.0320275030134431
Energy: 1.1021890133762582
Energy: 1.0320275030134431
Energy: 1.0448044783553696
Energy: 1.3598691402949996
Energy: 1.0448044783580974
Energy: 1.3598691402946408
Energy: 1.0448044783580974
Energy: 1.3598691402946408
Energy: 1.3131795591540525
Energy: 1.0356663783477713
Energy: 1.313179559154842
Energy: 1.0356663783469817
Energy: 1.3131795591477355
Energy: 1.0356663783477713
Energy: 1.0025983005839163
Energy: 1.0531824311458853
Energy: 1.0025983005839163
Energy: 1.053182431146244
Energy: 1.0025983005834855
Energy: 1.0531824311466746
Energy: 1.4086869413016092
Energy: 1.373363046704169
Energy: 1.40868694130125
Energy: 1.373363046703738
Energy: 1.4086869413016092
Energy: 1.373363046704528
Energy: 1.5916108137443983
Energy: 1.0732399669154928
Energy: 1.591610813744757
Energy: 1.0732399669147032
Energy: 1.5916108137451879
Energy: 1.0732399669154928
Energy: 1.0028874921311994
Energy: 1.1270662617812963
Energy: 1.0028874921308404
Energy: 1.1270662617812963
Energy: 1.0028874921304096
Energy: 1.1270662617817269
Energy: 0.9813688518526129
Energy: 1.1402025903118425
Energy: 0.981368851852972
Energy: 1.1402025903110526
Energy: 0.9813688518526129
Energy: 1.1402025903114834
Energy: 1.49225150962044
Energy: 1.3116137847740965
Energy: 1.4922515096271158
Energy: 1.3116137847740965
Energy: 1.4922515096200812
Energy: 1.3116137847740965
Energy: 1.0106788167139797
Energy: 1.0553918495507995
Energy: 1.0106788167144105
Energy: 1.0553918495535273
Energy: 1.0106788167147693
Energy: 1.0553918495507995
Energy: 1.0035012970722577
Energy: 1.0354645720203064
Energy: 1.0035012970698887
Energy: 1.0354645720210958
Energy: 1.0035012970695298
Energy: 1.0354645720206652
Energy: 1.0336044884297906
Energy: 1.356023596668449
Energy: 1.0336044884286424
Energy: 1.356023596668018
Energy: 1.0336044884297906
Energy: 1.356023596668449
Energy: 1.1400107698275097
Energy: 1.035753920074546
Energy: 1.140010769827079
Energy: 1.0357539200749049
Energy: 1.1400107698286583
Energy: 1.0357539200749049
Energy: 1.1192347138630774
Energy: 1.010350948291491
Energy: 1.119234713861857
Energy: 1.0103509482918498
Energy: 1.1192347138630774
Energy: 1.0103509482926394
Energy: 1.0562234489708762
Energy: 1.3079235943662773
Energy: 1.0562234489712352
Energy: 1.3079235943646983
Energy: 1.0562234489704454
Energy: 1.3079235943646983
Energy: 1.0164012742604507
Energy: 1.4084201430916363
Energy: 1.0164012742604507
Energy: 1.408420143094005
Energy: 1.0164012742612403
Energy: 1.4084201430932155
Energy: 1.0525852856657119
Energy: 0.9985439963034252
Energy: 1.0525852856665014
Energy: 0.9985439963030665
Energy: 1.0525852856661428
Energy: 0.9985439963026356
Energy: 1.0111762666243544
Energy: 1.6077858337824587
Energy: 1.0111762666243544
Energy: 1.6077858337824587
Energy: 1.0111762666247133
Energy: 1.6077858337824587
Energy: 1.5902257956974686
Energy: 1.07459143728801
Energy: 1.5902257956974686
Energy: 1.07459143728801
Energy: 1.590225795698689
Energy: 1.0745914372875793
Energy: 1.0874613272991562
Energy: 1.1100721198842962
Energy: 1.087461327299515
Energy: 1.1100721198823582
Energy: 1.087461327299515
Energy: 1.110072119883148
Energy: 1.0875150581413744
Energy: 1.1100571120171032
Energy: 1.0875150581409438
Energy: 1.1100571120171032
Energy: 1.0875150581413744
Energy: 1.1100571120171032
Energy: 1.589544343921894
Energy: 1.07420601059242
Energy: 1.5895443439215349
Energy: 1.07420601059242
Energy: 1.5895443439207453
Energy: 1.0742060105911997
Energy: 1.011117379313883
Energy: 1.6076466136951284
Energy: 1.0111173793151034
Energy: 1.6076466136951284
Energy: 1.011117379315893
Energy: 1.6076466136946976
Energy: 1.0526072505695803
Energy: 0.9989310806083953
Energy: 1.0526072505695803
Energy: 0.9989310806087542
Energy: 1.0526072505691497
Energy: 0.9989310806087542
Energy: 1.0168611519034885
Energy: 1.4084229352345752
Energy: 1.016861151904278
Energy: 1.4084229352361541
Energy: 1.0168611519034885
Energy: 1.4084229352361541
Energy: 1.0565063103758625
Energy: 1.3059855752786038
Energy: 1.0565063103758625
Energy: 1.3059855752790346
Energy: 1.0565063103758625
Energy: 1.305985575278245
Energy: 1.119318936642664
Energy: 1.0103488891533423
Energy: 1.119318936642664
Energy: 1.0103488891537733
Energy: 1.119318936642664
Energy: 1.0103488891549217
Energy: 1.1402107466388922
Energy: 1.0357333512679887
Energy: 1.1402107466388922
Energy: 1.0357333512679887
Energy: 1.1402107466381024
Energy: 1.0357333512679887
Energy: 1.0336066012989724
Energy: 1.3558014348444694
Energy: 1.0336066012985419
Energy: 1.3558014348440384
Energy: 1.033606601298183
Energy: 1.355801434845259
Energy: 1.003320791243535
Energy: 1.034967493617971
Energy: 1.0033207912466933
Energy: 1.0349674936191195
Energy: 1.003320791247124
Energy: 1.034967493617971
Energy: 1.0107104228294048
Energy: 1.055045315639109
Energy: 1.0107104228294048
Energy: 1.0550453156370991
Energy: 1.0107104228294048
Energy: 1.0550453156347304
Energy: 1.4922188000802572
Energy: 1.3112290498882675
Energy: 1.4922188000806158
Energy: 1.3112290498882675
Energy: 1.4922188000806158
Energy: 1.3112290498882675
Energy: 0.9816340064936161
Energy: 1.1400692406915545
Energy: 0.9816340064936161
Energy: 1.1400692406919135
Energy: 0.9816340064936161
Energy: 1.1400692406915545

minimum gb energy = 0.9813688518526129 eV
minimum distance =  2.31840584036081 Angstroms
sigma value = 67


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

Energy: 1.0992755970461854
Energy: 1.0204672698953692
Energy: 1.0992755970461854
Energy: 1.0204672698953692
Energy: 1.0992755970461854
Energy: 1.0204672698953692
Energy: 1.0678761571130273
Energy: 0.9920447921146858
Energy: 1.0678761571130273
Energy: 0.9920447921146858
Energy: 1.0678761571130273
Energy: 0.9920447921146858
Energy: 1.4399129614496666
Energy: 1.2859639806537266
Energy: 1.4399129614496666
Energy: 1.2859639806537266
Energy: 1.4399129614496666
Energy: 1.2859639806537266
Energy: 1.0678891742496257
Energy: 0.9920557160079955
Energy: 1.0678891742496257
Energy: 0.9920557160106339
Energy: 1.0678891742496257
Energy: 0.9920557160079955
Energy: 1.0992755970461854
Energy: 1.0204672698953692
Energy: 1.0992755970461854
Energy: 1.0204672698953692
Energy: 1.0992755970461854
Energy: 1.0204672698953692
Energy: 1.0678761571156659
Energy: 0.9920447921146858
Energy: 1.0678761571156659
Energy: 0.9920447921146858
Energy: 1.0678761571156659
Energy: 0.9920447921146858
Energy: 1.0405860509895841
Energy: 1.2859639806510879
Energy: 1.0405860509895841
Energy: 1.2859639806537266
Energy: 1.0405860509895841
Energy: 1.2859639806537266

minimum gb energy = 0.9920447921146858 eV
minimum distance =  2.31967193867655 Angstroms
sigma value = 3


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

Energy: 1.628905262587192
Energy: 1.1887794551123374
Energy: 1.5913747290744273
Energy: 1.188779455108747
Energy: 1.628905262587192
Energy: 1.188779455108747
Energy: 1.2077851885076918
Energy: 1.1213473029860175
Energy: 1.2077851885076918
Energy: 1.1213473029896084
Energy: 1.2077851885076918
Energy: 1.1213473029896084
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Energy: 1.259961970963493
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Energy: 1.322056165902898
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Energy: 1.3478374852820019
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Energy: 1.303258955927372
Energy: 1.224700522175171
Energy: 1.3032589559309629
Energy: 1.2247005221715803
Energy: 1.3032589559345533
Energy: 1.2247005221715803
Energy: 1.1462735847266738
Energy: 1.3578432034248509
Energy: 1.1462793573053962
Energy: 1.3578432024701956
Energy: 1.1462735847302645
Energy: 1.3578432032561558
Energy: 1.552311063998863
Energy: 1.1226073288821592
Energy: 1.552311063998863
Energy: 1.1226073288821592
Energy: 1.5523110639952722
Energy: 1.1226073288821592
Energy: 1.1874001807983783
Energy: 1.4458401498934363
Energy: 1.1874001808019687
Energy: 1.4458401498934363
Energy: 1.1874001807983783
Energy: 1.4458401498934363
Energy: 1.3117950728525376
Energy: 1.1228348966287343
Energy: 1.3117950728489471
Energy: 1.1228348966251434
Energy: 1.3117950728489471
Energy: 1.1228348966251434
Energy: 1.2179687301880116
Energy: 1.19437563647232
Energy: 1.2179687301916025
Energy: 1.19437563647232
Energy: 1.2179687301916025
Energy: 1.19437563647232
Energy: 1.3950039771676268
Energy: 1.1291139597200062
Energy: 1.3950039771676268
Energy: 1.1291139597200062
Energy: 1.3950039771676268
Energy: 1.1291139597200062
Energy: 1.283449683133061
Energy: 1.289911704509609
Energy: 1.2834492516209794
Energy: 1.2899117045024275
Energy: 1.2834496831366515
Energy: 1.2899117045024275
Energy: 1.225896472445178
Energy: 1.1916825121221082
Energy: 1.225896472452359
Energy: 1.1916825121221082
Energy: 1.225896472452359
Energy: 1.1916825121221082
Energy: 1.1458489851624638
Energy: 1.2631029044902313
Energy: 1.1458489851660545
Energy: 1.2631029044866406
Energy: 1.1458489851624638
Energy: 1.2631029044866406
Energy: 1.2290395291805831
Energy: 1.2318709036788347
Energy: 1.2290395291805831
Energy: 1.2318709036788347
Energy: 1.2290395291805831
Energy: 1.2318709036824254
Energy: 1.2849279538479006
Energy: 1.2217887884395493
Energy: 1.2848500223693824
Energy: 1.2217887884395493
Energy: 1.2849261365550404
Energy: 1.2217887884395493

minimum gb energy = 1.075565371150655 eV
minimum distance =  2.27866396329554 Angstroms
sigma value = 81


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

Energy: 1.5446015377297113
Energy: 1.20171368894748
Energy: 1.4355646591432891
Energy: 1.2017136889484656
Energy: 1.544601537730204
Energy: 1.20171368894748
Energy: 1.1777027208517423
Energy: 1.378389871504436
Energy: 1.1777027208537136
Energy: 1.378200418844083
Energy: 1.177702720852728
Energy: 1.378389871504929
Energy: 1.1245714455449831
Energy: 1.2882996296535003
Energy: 1.3649677033451475
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Energy: 1.1245714455430116
Energy: 1.288299629654486
Energy: 1.1212644892515655
Energy: 1.268399468835236
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Energy: 1.1212644892515655
Energy: 1.268399468835729
Energy: 1.2273792168105166
Energy: 1.2310842196565739
Energy: 1.2273792168080526
Energy: 1.231084219656081
Energy: 1.227379216810024
Energy: 1.2310842196575595
Energy: 1.1350337590447157
Energy: 1.1052752706557374
Energy: 1.135033759041266
Energy: 1.04182524807729
Energy: 1.1350337590427446
Energy: 1.105275270656723
Energy: 1.0156666454038117
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Energy: 1.0479228998098884
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Energy: 1.455356590586074
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Energy: 1.2760938366635248
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Energy: 1.275973212169032
Energy: 1.1731287451777013
Energy: 1.2760938366640178
Energy: 1.2700361646494454
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Energy: 1.2960530126848693
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Energy: 1.3005176982332267
Energy: 1.0899993595398876
Energy: 1.1310990062976634
Energy: 1.0468565255851592
Energy: 1.1310990062996344
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Energy: 1.1310990063001272
Energy: 1.0468565255871303
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Energy: 1.3357531657221302
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Energy: 1.0425498421341568
Energy: 1.1339415038126952
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Energy: 1.2839659187510017
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Energy: 1.2839659187524801
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Energy: 1.2684547491494622
Energy: 1.3696840073066134
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Energy: 1.3696840073071062
Energy: 1.2684547491504479
Energy: 1.3696840073066134
Energy: 1.2302164990837399
Energy: 1.1308487169443635
Energy: 1.2302164990857112
Energy: 1.1308487169453492
Energy: 1.2302164990852185
Energy: 1.1308487169448562
Energy: 1.1693436872665008
Energy: 1.141700541503025
Energy: 1.0421657422788848
Energy: 1.1417005415045036
Energy: 1.1693436872669936
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Energy: 1.1862382474044435
Energy: 1.016237336609584
Energy: 1.0419701961619732
Energy: 1.0162373366105697
Energy: 1.1862382474024722
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Energy: 1.3507611225266516
Energy: 1.2617951484087415
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Energy: 1.2119618527282894
Energy: 1.3507611225251732
Energy: 1.2617951484097272
Energy: 1.2678167118292378
Energy: 1.3476653642445924
Energy: 1.2678167118297308
Energy: 1.3476653642426213
Energy: 1.2678167118277595
Energy: 1.3476653642450853
Energy: 1.3038815892988338
Energy: 1.5485021811848536
Energy: 1.3038815893003122
Energy: 1.5485021811853463
Energy: 1.3038815892988338
Energy: 1.5485021811833752
Energy: 1.1338237171825247
Energy: 1.120893269965937
Energy: 1.1338237171844958
Energy: 1.1208932699757486
Energy: 1.1338237171849888
Energy: 1.1208932699757486
Energy: 1.2043931726564456
Energy: 1.3294006589349583
Energy: 1.2043931726564456
Energy: 1.2664613232271247
Energy: 1.2043931726574313
Energy: 1.3294006589344654
Energy: 1.2859968720791732
Energy: 1.1725457107151047
Energy: 1.28605325403078
Energy: 1.1725457107180615
Energy: 1.2859968720786803
Energy: 1.1725457107180615
Energy: 1.2911446705177485
Energy: 1.0932089209967366
Energy: 1.2911446705167628
Energy: 1.0930892741120641
Energy: 1.2911446705177485
Energy: 1.0932089209977223
Energy: 1.2687862559961987
Energy: 1.3005430270120715
Energy: 1.2687862559976772
Energy: 1.3005430270125642
Energy: 1.268786255995706
Energy: 1.3005430270135498
Energy: 1.046198672225055
Energy: 1.262316407651877
Energy: 1.046198672225055
Energy: 1.2623164076508913
Energy: 1.046198672225055
Energy: 1.2623164076513842
Energy: 1.0421769308445636
Energy: 1.3361308608240559
Energy: 1.0421769308450566
Energy: 1.3361308608240559
Energy: 1.0421769308455493
Energy: 1.3361308608245486
Energy: 1.0430243992503339
Energy: 1.013366539448285
Energy: 1.0430243992503339
Energy: 1.013366539445328
Energy: 1.0430243992473767
Energy: 1.0133665394443423
Energy: 1.3154083349988308
Energy: 1.6870544878535791
Energy: 1.2139683893312117
Energy: 1.687054487854565
Energy: 1.3154083349973522
Energy: 1.6870544878550575
Energy: 1.5450597679214162
Energy: 1.2219212955793455
Energy: 1.5450597679238802
Energy: 1.2219212955808239
Energy: 1.5450597679258515
Energy: 1.2219212955847663
Energy: 1.1311708191304886
Energy: 1.0964983186043424
Energy: 1.1311708191309813
Energy: 1.0964983186063135
Energy: 1.1311708191314742
Energy: 1.0964983186058208
Energy: 1.1403084775153025
Energy: 1.0482244202190445
Energy: 1.1403084775138241
Energy: 1.1061810999215103
Energy: 1.1403084775123458
Energy: 1.0482244202224942

minimum gb energy = 1.0133665394443423 eV
minimum distance =  2.33629902146739 Angstroms
sigma value = 43


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

Energy: 1.628964487794094
Energy: 1.1733948094486657
Energy: 1.628964487794094
Energy: 1.1733948094486657
Energy: 1.628964487794094
Energy: 1.1733948094486657
Energy: 1.3105181239940065
Energy: 1.0937910263850104
Energy: 1.3105181239934014
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Energy: 1.2645157375657283
Energy: 1.3877024723690785
Energy: 1.2645157375663336
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Energy: 1.1575702135417116
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Energy: 1.223995263177431
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Energy: 1.367883164048817
Energy: 1.0719355137989364
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Energy: 1.0719355137977256
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Energy: 1.35284948839065
Energy: 1.219174798242015
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Energy: 1.2191747982426202
Energy: 1.3528494883912554
Energy: 1.219174798242015
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Energy: 1.27182792511127
Energy: 1.1777710870149192
Energy: 1.27182792511127
Energy: 1.1777710870149192
Energy: 1.27182792511127
Energy: 1.3030829780747961
Energy: 1.0938090402340788
Energy: 1.3030829780741908
Energy: 1.0938090402340788
Energy: 1.3030829780741908
Energy: 1.0938090402340788
Energy: 1.3232359468019173
Energy: 1.1626247274847477
Energy: 1.3232359468007067
Energy: 1.162624727483537
Energy: 1.3232359468019173
Energy: 1.1626247274847477
Energy: 1.3641291893967946
Energy: 1.1165937158148473
Energy: 1.3641291893974001
Energy: 1.1165937158154526
Energy: 1.3641291893967946
Energy: 1.1165937158148473
Energy: 1.3083529633574476
Energy: 1.094246061081442
Energy: 1.3083529633586581
Energy: 1.0942460610820472
Energy: 1.308352963358053
Energy: 1.0942460610820472
Energy: 1.1780852222658234
Energy: 1.2230804765022611
Energy: 1.1780852222664286
Energy: 1.2230804765016556
Energy: 1.1780852222664286
Energy: 1.2230804765022611
Energy: 1.3795877758459687
Energy: 1.2516342735067245
Energy: 1.3795877758459687
Energy: 1.2516342735061192
Energy: 1.3795877758459687
Energy: 1.2516342735061192
Energy: 1.0720174667106608
Energy: 1.345519700077299
Energy: 1.0720174667106608
Energy: 1.345519700077299
Energy: 1.0720174667106608
Energy: 1.345519700077299
Energy: 1.271415873228438
Energy: 1.5882294024876944
Energy: 1.271415873228438
Energy: 1.5882294024870889
Energy: 1.271415873228438
Energy: 1.5882294024876944
Energy: 1.1340560209138277
Energy: 1.142110917049273
Energy: 1.134056020914433
Energy: 1.1421109170504837
Energy: 1.134056020914433
Energy: 1.1421109170498782
Energy: 1.367081430800901
Energy: 1.2676875144749113
Energy: 1.367081430800901
Energy: 1.267687514474306
Energy: 1.3670814308015062
Energy: 1.2676875144749113
Energy: 1.1536813593532387
Energy: 1.2474657035839776
Energy: 1.153681359353844
Energy: 1.247465703583372
Energy: 1.1536813593532387
Energy: 1.2474657035851882
Energy: 1.5319033156519233
Energy: 1.069730562252889
Energy: 1.5319033156519233
Energy: 1.069730562252889
Energy: 1.5319033156519233
Energy: 1.069730562252889
Energy: 1.1339801453110783
Energy: 1.2884217377048603
Energy: 1.1339801453116838
Energy: 1.2884217377048603
Energy: 1.1339801453110783
Energy: 1.2884217377048603
Energy: 1.2268135928037631
Energy: 1.288504891292813
Energy: 1.2268135928037631
Energy: 1.288504891292813
Energy: 1.2268135928037631
Energy: 1.288504891292813
Energy: 1.2770650929465488
Energy: 1.1932613804869832
Energy: 1.2770650929459437
Energy: 1.1932613804875885
Energy: 1.2770650929465488
Energy: 1.1932613804875885

minimum gb energy = 1.0693943750713966 eV
minimum distance =  2.30022826598278 Angstroms
sigma value = 57


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

Energy: 1.2437140310809311
Energy: 1.1841688336093896
Energy: 1.2437140310809311
Energy: 1.1841688336101734
Energy: 1.2437140310801473
Energy: 1.1841688336093896
Energy: 1.3958724245093512
Energy: 1.1077702518455002
Energy: 1.395872424510135
Energy: 1.1077702518455002
Energy: 1.395872424510135
Energy: 1.1077702518455002
Energy: 1.2113647726407908
Energy: 1.3559867151172649
Energy: 1.2113647726407908
Energy: 1.3559867151180485
Energy: 1.2113647726407908
Energy: 1.3559867151172649
Energy: 1.591846524721883
Energy: 1.153606222928755
Energy: 1.5918465247226667
Energy: 1.153606222928755
Energy: 1.5918465247234508
Energy: 1.153606222928755
Energy: 1.6017086781023853
Energy: 1.2852844508046901
Energy: 1.6017086781023853
Energy: 1.2852844508046901
Energy: 1.601708678103169
Energy: 1.2852844508046901
Energy: 1.33614221665344
Energy: 1.107556001772143
Energy: 1.336142216652656
Energy: 1.107556001771359
Energy: 1.33614221665344
Energy: 1.107556001771359
Energy: 1.2417483337476034
Energy: 1.3996354651518241
Energy: 1.2417483337476034
Energy: 1.3996354651510405
Energy: 1.2417483337468194
Energy: 1.3996354651518241
Energy: 1.365006321292224
Energy: 1.2617536573768744
Energy: 1.365006321292224
Energy: 1.2617536573760906
Energy: 1.365006321292224
Energy: 1.2617536573768744
Energy: 1.5401290068870805
Energy: 1.1079354588672636
Energy: 1.5401290068870805
Energy: 1.1079354588672636
Energy: 1.5401290068870805
Energy: 1.1079354588680472
Energy: 1.0885107609735212
Energy: 1.1782155906339087
Energy: 1.0885107609735212
Energy: 1.1782155906346925
Energy: 1.0885107609735212
Energy: 1.1782155906346925
Energy: 1.2698782902959764
Energy: 1.155407079841566
Energy: 1.2698782902959764
Energy: 1.155407079841566
Energy: 1.2698782902959764
Energy: 1.1554070798423501
Energy: 1.437328894250862
Energy: 1.4487689778572064
Energy: 1.4373288942500781
Energy: 1.4487689778564228
Energy: 1.437328894250862
Energy: 1.4487689778572064
Energy: 1.277662791158747
Energy: 1.1079660297527567
Energy: 1.277662791158747
Energy: 1.1079660297535403
Energy: 1.277662791158747
Energy: 1.1079660297527567
Energy: 1.240214179676439
Energy: 1.1182076935272418
Energy: 1.240214179676439
Energy: 1.1182076935280256
Energy: 1.240214179676439
Energy: 1.1182076935272418
Energy: 1.28198691679351
Energy: 1.3176197175057838
Energy: 1.2819869167919427
Energy: 1.3176197175057838
Energy: 1.28198691679351
Energy: 1.3176197175057838
Energy: 1.3065694184668912
Energy: 1.3264537106832928
Energy: 1.3065694184668912
Energy: 1.3264537106825092
Energy: 1.3065694184661074
Energy: 1.3264537106817251
Energy: 1.0878385248585754
Energy: 1.2651720452444042
Energy: 1.0878385248577915
Energy: 1.2651720452436204
Energy: 1.0878385248585754
Energy: 1.2651720452444042
Energy: 1.310504675490458
Energy: 1.05666087150939
Energy: 1.310504675491242
Energy: 1.05666087150939
Energy: 1.310504675490458
Energy: 1.05666087150939
Energy: 1.0888711123213621
Energy: 1.1998154614992136
Energy: 1.0888711123213621
Energy: 1.1998154614992136
Energy: 1.0888711123213621
Energy: 1.1998154614992136
Energy: 1.3621973162461216
Energy: 1.108191126146856
Energy: 1.3621973162461216
Energy: 1.1081911261492075
Energy: 1.3621973162461216
Energy: 1.1081911261476398
Energy: 1.2589062434495977
Energy: 1.3230888895842252
Energy: 1.2589062434503815
Energy: 1.3230888895842252
Energy: 1.2589062434503815
Energy: 1.3230888895842252
Energy: 1.376147524273078
Energy: 1.1333012879675726
Energy: 1.376147524273078
Energy: 1.1333012879675726
Energy: 1.376147524273078
Energy: 1.1333012879675726
Energy: 1.2194710986826045
Energy: 1.1082922397095654
Energy: 1.2194710986826045
Energy: 1.1082922397087815
Energy: 1.2194710986826045
Energy: 1.1082922397087815
Energy: 1.2999337591772873
Energy: 1.4487926872848251
Energy: 1.2999337591772873
Energy: 1.4487926872840415
Energy: 1.2999337591772873
Energy: 1.4487926872840415

minimum gb energy = 1.05666087150939 eV
minimum distance =  2.26430100427432 Angstroms
sigma value = 17


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

Energy: 1.201441568304416
Energy: 1.0619578295786327
Energy: 1.2014415683033077
Energy: 1.0619578295786327
Energy: 1.2014415683033077
Energy: 1.0619578295786327
Energy: 1.01845701271618
Energy: 1.0020460694503275
Energy: 1.01845701271618
Energy: 1.0020460694503275
Energy: 1.01845701271618
Energy: 1.002046069451436
Energy: 1.2461040056521089
Energy: 1.1771540957446565
Energy: 1.2461040056521089
Energy: 1.1771540957446565
Energy: 1.2461040056521089
Energy: 1.1771540957446565
Energy: 0.9583577582133315
Energy: 1.213600615814
Energy: 0.9583577582133315
Energy: 1.213600615814
Energy: 0.9583577582133315
Energy: 1.213600615814
Energy: 1.2038340334490945
Energy: 1.1660252056709053
Energy: 1.2038340334490945
Energy: 1.1660252056709053
Energy: 1.2038340334468776
Energy: 1.1660252056709053
Energy: 1.1293241920110015
Energy: 1.1675087885923636
Energy: 1.1293241920110015
Energy: 1.1675087885923636
Energy: 1.1293241920098929
Energy: 1.1675087885923636
Energy: 1.122944249160284
Energy: 1.0185613444874893
Energy: 1.1229442491613923
Energy: 1.0185613444874893
Energy: 1.122944249158067
Energy: 1.0185613444874893
Energy: 0.9578741993206048
Energy: 1.197818807202106
Energy: 0.9578741993194964
Energy: 1.197818807202106
Energy: 0.9578741993206048
Energy: 1.197818807202106
Energy: 1.1817713089187254
Energy: 1.0021662483364127
Energy: 1.181771308919834
Energy: 1.0021662483353042
Energy: 1.181771308919834
Energy: 1.0021662483353042
Energy: 1.0632712121609948
Energy: 1.0205808201408881
Energy: 1.0632712121609948
Energy: 1.0205808201408881
Energy: 1.0632712121598864
Energy: 1.0205808201408881
Energy: 1.0617646273136918
Energy: 1.2092538221681894
Energy: 1.0617646273125836
Energy: 1.2092538221681894
Energy: 1.0617646273125836
Energy: 1.2092538221681894
Energy: 1.1683814250675202
Energy: 1.1405534115950806
Energy: 1.1683814250675202
Energy: 1.1405534115950806
Energy: 1.1683814250675202
Energy: 1.1405534115950806
Energy: 0.9580086718721531
Energy: 1.164930893341343
Energy: 0.9580086718721531
Energy: 1.164930893341343
Energy: 0.9580086718721531
Energy: 1.164930893344668
Energy: 1.080077626920134
Energy: 1.2082256120240096
Energy: 1.080077626920134
Energy: 1.2082256120229011
Energy: 1.080077626920134
Energy: 1.2082256120240096
Energy: 1.1285966879503924
Energy: 1.3896531525602778
Energy: 1.1285966879503924
Energy: 1.3896531525602778
Energy: 1.1285966879503924
Energy: 1.3896531525602778
Energy: 1.1271645765612728
Energy: 1.4078148228261447
Energy: 1.1271645765623814
Energy: 1.4078148228261447
Energy: 1.1271645765623814
Energy: 1.4078148228272531
Energy: 1.0777213421101124
Energy: 1.233843128318677
Energy: 1.077721342109004
Energy: 1.233843128318677
Energy: 1.0777213421101124
Energy: 1.233843128318677

minimum gb energy = 0.9578741993194964 eV
minimum distance =  2.29141558911778 Angstroms
sigma value = 17


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

Energy: 1.0760946704872327
Energy: 0.9615556226140226
Energy: 1.0760946704863765
Energy: 0.9615556226144508
Energy: 1.0760946704872327
Energy: 0.9615556226140226
Energy: 1.1429886177635062
Energy: 1.0241633156605519
Energy: 1.1429886177630781
Energy: 1.0241633156614078
Energy: 1.1429886177635062
Energy: 1.02416331566098
Energy: 1.0972253203226374
Energy: 1.0266249111769665
Energy: 1.0972253203217812
Energy: 1.0266249111761108
Energy: 1.0972253203230653
Energy: 1.0266249111761108
Energy: 1.2659394107376574
Energy: 1.0505234525169913
Energy: 1.2659394107372293
Energy: 1.0505234525169913
Energy: 1.2659394107376574
Energy: 1.0505234525169913
Energy: 1.3941054859727546
Energy: 1.1572491179887787
Energy: 1.3941054859723265
Energy: 1.1572491179896347
Energy: 1.3941054859727546
Energy: 1.1572491179909188
Energy: 1.0561720550698932
Energy: 1.0066985977838094
Energy: 1.0561720550703213
Energy: 0.9691746605501511
Energy: 1.0561720550698932
Energy: 1.0066985977812413
Energy: 1.1287763600045584
Energy: 0.9990321927772465
Energy: 1.1287763600049865
Energy: 0.9990321927768184
Energy: 1.1287763600045584
Energy: 0.9990321927768184
Energy: 1.2631597591335089
Energy: 1.2482673539197735
Energy: 1.2631597591343648
Energy: 1.2482673539197735
Energy: 1.263159759133937
Energy: 1.2482673539197735
Energy: 1.0339383643293891
Energy: 1.0164277199033047
Energy: 1.0339383643293891
Energy: 1.0164277199037326
Energy: 1.033938364328961
Energy: 1.0164277199033047
Energy: 0.9705786999841317
Energy: 0.8819142421802219
Energy: 0.9705786999845598
Energy: 0.8819142421797936
Energy: 0.9705786999841317
Energy: 0.8819142421797936
Energy: 0.8910239318007794
Energy: 1.2253054479954841
Energy: 0.8910239318024916
Energy: 1.2253054479950563
Energy: 0.8910239318012075
Energy: 1.2253054479954841
Energy: 1.1048259969291994
Energy: 0.9376963488073771
Energy: 1.1048259969291994
Energy: 0.9376963488073771
Energy: 1.1048259969300551
Energy: 0.9376963488073771
Energy: 1.1653964330713822
Energy: 0.9837352855544378
Energy: 1.1653964330713822
Energy: 0.9837352855510136
Energy: 1.165396433070954
Energy: 0.9837352855518696
Energy: 0.9825165358608468
Energy: 1.0958396574923372
Energy: 0.9825165358604189
Energy: 1.0958396574923372
Energy: 0.9825165358595627
Energy: 1.0958396574923372
Energy: 1.0645785424330467
Energy: 1.2999464988451017
Energy: 1.064578542433903
Energy: 1.2999464988451017
Energy: 1.0645785424317626
Energy: 1.2999464988455296
Energy: 0.8917632107991792
Energy: 1.152918080133399
Energy: 0.8917632107996073
Energy: 1.152918080133399
Energy: 0.8917632108000352
Energy: 1.152918080133399
Energy: 0.9806133883371265
Energy: 1.0476294313587555
Energy: 0.9806133883379438
Energy: 1.0476294313587555
Energy: 0.9806133883371265
Energy: 1.0476294313587555
Energy: 1.0610204704245936
Energy: 1.2677491577532736
Energy: 1.0610204704228814
Energy: 1.2677491577528455
Energy: 1.0610204704237376
Energy: 1.2677491577528455
Energy: 1.0153032301918234
Energy: 1.4031489378313795
Energy: 1.0153032301918234
Energy: 1.4031489378313795
Energy: 1.0153032301913951
Energy: 1.4031489378313795
Energy: 0.9793365164124521
Energy: 0.917311067446509
Energy: 0.9793365164145924
Energy: 0.9173110674460808
Energy: 0.9793365164133081
Energy: 0.9173110674482211
Energy: 1.014967460175409
Energy: 1.4030098481279356
Energy: 1.0149674601766931
Energy: 1.4030098481279356
Energy: 1.014967460175409
Energy: 1.4030098481279356
Energy: 1.0601170809133875
Energy: 1.2677152526873572
Energy: 1.0601170809142437
Energy: 1.2677152526873572
Energy: 1.0601170809129594
Energy: 1.2677152526873572
Energy: 0.9806501460405933
Energy: 1.0474327625316833
Energy: 0.9806501460397372
Energy: 1.0474327625316833
Energy: 0.9806501460414494
Energy: 1.0474327625316833
Energy: 0.8920568930332419
Energy: 1.250249571720133
Energy: 0.8920568930328138
Energy: 1.250249571720133
Energy: 0.8920568930332419
Energy: 1.250249571720133
Energy: 1.063875874128466
Energy: 1.299733986521984
Energy: 1.0638758741263261
Energy: 1.2997339865215563
Energy: 1.0638758741301784
Energy: 1.2997339865215563
Energy: 0.9827376512543372
Energy: 1.0958155155481177
Energy: 0.9827376512564774
Energy: 1.0958155155476896
Energy: 0.9827376512551933
Energy: 1.0958155155481177
Energy: 1.1654055870688815
Energy: 0.9840308874314426
Energy: 1.1654055870684537
Energy: 0.9840308874318707
Energy: 1.1654055870697377
Energy: 0.9840308874314426
Energy: 1.1042405473824137
Energy: 1.2829235663002163
Energy: 1.1042405473824137
Energy: 1.2829235663002163
Energy: 1.1042405473811296
Energy: 1.2829235663002163
Energy: 0.890707695646799
Energy: 1.2253398408952945
Energy: 0.890707695646371
Energy: 1.2253398408952945
Energy: 0.890707695648083
Energy: 1.2253398408952945
Energy: 0.9720080812877664
Energy: 0.8814937880288799
Energy: 0.9720080812899067
Energy: 0.8814937880297359
Energy: 0.9720080812886227
Energy: 0.8814937880288799
Energy: 1.2437065235202542
Energy: 1.0160398695405002
Energy: 1.2437065235202542
Energy: 1.0160398695400725
Energy: 1.243706523519826
Energy: 1.0160398695400725
Energy: 1.263139117966512
Energy: 1.2482119831138747
Energy: 1.263139117966512
Energy: 1.2482119831138747
Energy: 1.2631391179660842
Energy: 1.2482119831134466
Energy: 1.1282404142126135
Energy: 0.9991904612053886
Energy: 1.1282404142134694
Energy: 0.9991904612049607
Energy: 1.1282404142130413
Energy: 0.9991904612045326
Energy: 1.0561876242256911
Energy: 0.9363423876279627
Energy: 1.0561876242274035
Energy: 0.9363423876279627
Energy: 1.0561876242256911
Energy: 0.9363423876279627
Energy: 1.3941024213360176
Energy: 1.1572925822279372
Energy: 1.3941024213373017
Energy: 1.1572925822283648
Energy: 1.3941024213360176
Energy: 1.1572925822283648
Energy: 1.2657580783223439
Energy: 1.2722977910060866
Energy: 1.2657580783223439
Energy: 1.2722977910056585
Energy: 1.265758078321488
Energy: 1.2722977910056585
Energy: 1.0972439033989654
Energy: 1.0269755904057354
Energy: 1.0972439033989654
Energy: 1.0269755904070195
Energy: 1.0972439033989654
Energy: 1.0269755904065914
Energy: 1.1430622727305486
Energy: 0.9347494738122134
Energy: 1.1430622727322606
Energy: 0.9347494738122134
Energy: 1.1430622727314044
Energy: 0.9347494738122134
Energy: 1.0760946704868046
Energy: 0.961555622616163
Energy: 1.0760946704855205
Energy: 0.961555622616163
Energy: 1.0760946704868046
Energy: 0.9615556226153067
Energy: 1.1429886177639343
Energy: 0.9299219275347245
Energy: 1.1429886177635062
Energy: 0.9299219275342965
Energy: 1.1429886177643624
Energy: 0.9299219275342965
Energy: 1.0972253203217812
Energy: 1.0266249111752546
Energy: 1.0972253203217812
Energy: 1.0266249111748267
Energy: 1.0972253203222095
Energy: 1.0266249111756827
Energy: 1.2659394107359454
Energy: 1.0505234525174196
Energy: 1.2659394107363733
Energy: 1.0505234525169913
Energy: 1.2659394107368012
Energy: 1.0505234525174196
Energy: 1.3941054859740387
Energy: 1.157249117992203
Energy: 1.3941054859731827
Energy: 1.157249117991775
Energy: 1.3941054859736106
Energy: 1.157249117992203

minimum gb energy = 0.8814937880288799 eV
minimum distance =  2.25020560543553 Angstroms
sigma value = 57


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

Energy: 0.9832795484483533
Energy: 0.8827388558719684
Energy: 0.9832795484490503
Energy: 0.8827388558719684
Energy: 0.9832795484497473
Energy: 0.8827388558719684
Energy: 1.0283038350366471
Energy: 0.8673203663163707
Energy: 1.028303835037344
Energy: 0.8673203663170678
Energy: 1.0283038350359501
Energy: 0.8673203663163707
Energy: 1.0259130080042422
Energy: 0.9450772290856211
Energy: 1.0259130080042422
Energy: 0.9450772290835302
Energy: 1.0259130080042422
Energy: 0.9450772290856211
Energy: 1.176954732457792
Energy: 0.9893853341588508
Energy: 1.176954732457792
Energy: 0.989385334158154
Energy: 1.176954732457792
Energy: 0.989385334158154
Energy: 1.240726193127739
Energy: 0.8603615084082199
Energy: 1.2407261931270421
Energy: 0.8603615084082199
Energy: 1.240726193127739
Energy: 0.8603615084082199
Energy: 1.0331413226467294
Energy: 0.866582501670031
Energy: 1.0331413226467294
Energy: 0.866582501669334
Energy: 1.0331413226467294
Energy: 0.866582501670031
Energy: 1.1569307150478756
Energy: 0.9595001727887591
Energy: 1.1569307150478756
Energy: 0.9595001727908499
Energy: 1.1569307150485726
Energy: 0.959500172789456
Energy: 1.1484707931835145
Energy: 1.1813859811756213
Energy: 1.1484707931828175
Energy: 1.1813859811763183
Energy: 1.1484707931828175
Energy: 1.1813859811763183
Energy: 0.9038045177219299
Energy: 0.8694075825504334
Energy: 0.903804517721233
Energy: 0.8694075825497366
Energy: 0.9038045177219299
Energy: 0.8694075825504334
Energy: 1.0286531189470762
Energy: 0.9175314092001746
Energy: 1.028653118947773
Energy: 0.9175314092001746
Energy: 1.028653118947773
Energy: 0.9175314092001746
Energy: 1.1507387709944765
Energy: 1.1537088116106886
Energy: 1.1507387709958705
Energy: 1.1537088116099916
Energy: 1.1507387709951735
Energy: 1.1537088116099916
Energy: 0.9460934007931663
Energy: 1.180827632432096
Energy: 0.9460934007903787
Energy: 1.18082763243349
Energy: 0.9460934007924695
Energy: 1.180827632432793
Energy: 1.0289931807277979
Energy: 1.0307696365869816
Energy: 1.0289931807271009
Energy: 1.0307696365876784
Energy: 1.0289931807277979
Energy: 1.0307696365869816
Energy: 1.0290627758381807
Energy: 1.0597411740856952
Energy: 1.0290627758381807
Energy: 1.059741174087089
Energy: 1.0290627758381807
Energy: 1.0597411740856952
Energy: 1.010034248635846
Energy: 1.1981938286210703
Energy: 1.010034248635846
Energy: 1.1981938286210703
Energy: 1.010034248635846
Energy: 1.1981938286203733
Energy: 1.058222252632697
Energy: 1.0515944011123903
Energy: 1.0582222526333942
Energy: 1.0515944011123903
Energy: 1.0582222526333942
Energy: 1.0515944011116933
Energy: 0.9057419511193678
Energy: 1.0269043877417585
Energy: 0.9057419511221557
Energy: 1.0269043877410617
Energy: 0.9057419511214587
Energy: 1.0269043877417585
Energy: 1.1080983389558734
Energy: 1.2095092685437423
Energy: 1.1080983389579642
Energy: 1.2095092685437423
Energy: 1.1080983389565706
Energy: 1.2095092685437423
Energy: 0.8369801137006374
Energy: 1.0779981378154324
Energy: 0.8369801137013342
Energy: 1.0779981378147354
Energy: 0.8369801137013342
Energy: 1.0779981378147354
Energy: 1.031903784840763
Energy: 0.9911288950606455
Energy: 1.031903784840763
Energy: 0.9911288950606455
Energy: 1.0319037848400663
Energy: 0.9911288950606455
Energy: 0.9910163833510682
Energy: 1.1776174294667194
Energy: 0.9910163833524619
Energy: 1.1776174294674162
Energy: 0.9910163833524619
Energy: 1.1776174294667194
Energy: 0.8261011585681256
Energy: 1.0817297626219644
Energy: 0.8261011585674287
Energy: 1.0817297626212676
Energy: 0.8261011585681256
Energy: 1.0817297626226614
Energy: 0.9029701597452714
Energy: 0.9458649393072395
Energy: 0.9029701597459684
Energy: 0.9458649393072395
Energy: 0.9029701597452714
Energy: 0.9458649393072395
Energy: 0.9296379887946341
Energy: 1.3104139560669976
Energy: 0.929637988795331
Energy: 1.3104139560663006
Energy: 0.9296379887932401
Energy: 1.3104139560663006
Energy: 0.9353319511910235
Energy: 1.1755520311523984
Energy: 0.9353319511917204
Energy: 1.1755520311523984
Energy: 0.9353319511903266
Energy: 1.1755520311530954
Energy: 0.882151961277084
Energy: 0.9454834616621277
Energy: 0.8821519612791747
Energy: 0.9454834616621277
Energy: 0.8821519612777808
Energy: 0.9454834616621277
Energy: 0.826288857596297
Energy: 1.0779458461884226
Energy: 0.8262888575976909
Energy: 1.0779458461884226
Energy: 0.8262888575969938
Energy: 1.0779458461884226

minimum gb energy = 0.8261011585674287 eV
minimum distance =  2.26555675512906 Angstroms
sigma value = 43


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

Energy: 1.121940480599637
Energy: 0.7954385626127713
Energy: 1.1219404806006525
Energy: 0.7954385626127713
Energy: 1.1219404806001447
Energy: 0.7954385626132792
Energy: 0.8899530899652132
Energy: 0.931890468583254
Energy: 0.8899530899647053
Energy: 0.931890468583254
Energy: 0.8899530899652132
Energy: 0.9318904685837617
Energy: 0.8784738405901623
Energy: 0.9322936700067123
Energy: 0.8784738405901623
Energy: 0.93229367000722
Energy: 0.8784738405901623
Energy: 0.9322936700067123
Energy: 1.0637640767503198
Energy: 0.8514407739777221
Energy: 1.0637640767498118
Energy: 0.8514407739777221
Energy: 1.0637640767493042
Energy: 0.8514407739777221
Energy: 1.037355431949918
Energy: 0.8903893388172908
Energy: 1.0373554319489022
Energy: 0.8903893388167828
Energy: 1.037355431949918
Energy: 0.8903893388177986
Energy: 0.8714384364628392
Energy: 0.8882668663995121
Energy: 0.8714384364633472
Energy: 0.8882668663995121
Energy: 0.8714384364628392
Energy: 0.8882668663995121
Energy: 0.9996552489668034
Energy: 0.946695336903012
Energy: 0.9996552489673114
Energy: 0.946695336903012
Energy: 0.9996552489668034
Energy: 0.946695336903012
Energy: 1.0866231155292867
Energy: 0.9932723517049836
Energy: 1.0866231155292867
Energy: 0.9932723517049836
Energy: 1.0866231155292867
Energy: 0.9932723517049836
Energy: 0.8449364397373688
Energy: 0.8781716388983091
Energy: 0.8449364397378768
Energy: 0.8781716388983091
Energy: 0.8449364397373688
Energy: 0.8781716388983091
Energy: 0.8936575246251423
Energy: 0.7888025618993025
Energy: 0.8936575246251423
Energy: 0.7888025618987947
Energy: 0.8936575246251423
Energy: 0.7888025618987947
Energy: 0.9811839646605827
Energy: 0.9912858890027573
Energy: 0.9811839646610904
Energy: 0.9912858890027573
Energy: 0.9811839646610904
Energy: 0.9912858890022495
Energy: 0.75946857817782
Energy: 0.8775685194319166
Energy: 0.7594685781783278
Energy: 0.8775685194324245
Energy: 0.7594685781783278
Energy: 0.8775685194324245
Energy: 0.8932223757691089
Energy: 0.7556621088073239
Energy: 0.8932223757686012
Energy: 0.7556621088073239
Energy: 0.8932223757696167
Energy: 0.7556621088073239
Energy: 1.0069116647489367
Energy: 0.9921458870280409
Energy: 1.0069116647499523
Energy: 0.9921458870275329
Energy: 1.0069116647489367
Energy: 0.9921458870275329
Energy: 0.9087518325985218
Energy: 0.8764837839696596
Energy: 0.9087518325985218
Energy: 0.8764837839686442
Energy: 0.908751832598014
Energy: 0.8764837839696596
Energy: 0.9145714012740422
Energy: 0.8707104663379194
Energy: 0.9145714012750576
Energy: 0.8707104663384272
Energy: 0.9145714012740422
Energy: 0.8707104663384272
Energy: 1.022464448133606
Energy: 0.9722582534491262
Energy: 1.022464448133606
Energy: 0.9722582534491262
Energy: 1.0224644481346217
Energy: 0.9722582534486184
Energy: 0.8129173347625388
Energy: 0.8770655359328957
Energy: 0.8129173347630466
Energy: 0.8770655359323878
Energy: 0.8129173347630466
Energy: 0.8770655359328957
Energy: 0.8868486894681569
Energy: 0.8834055554999066
Energy: 0.8868486894676492
Energy: 0.8834055554999066
Energy: 0.8868486894671415
Energy: 0.8834055554999066
Energy: 1.0546216982775678
Energy: 1.026446808878029
Energy: 1.0546216982775678
Energy: 1.026446808878029
Energy: 1.0546216982780756
Energy: 1.026446808878029
Energy: 0.8683340867414462
Energy: 1.031375853687907
Energy: 0.8683340867419539
Energy: 1.0313758536884146
Energy: 0.8683340867424616
Energy: 1.0313758536873991
Energy: 0.9415795633873799
Energy: 0.9042740470883683
Energy: 0.9415795633873799
Energy: 0.9042740470883683
Energy: 0.9415795633873799
Energy: 0.9042740470888763
Energy: 0.95516296036609
Energy: 0.8804571736140938
Energy: 0.955162960366598
Energy: 0.8804571736135861
Energy: 0.95516296036609
Energy: 0.8804571736135861
Energy: 0.9422528009209137
Energy: 1.0766814040889745
Energy: 0.9422528009214214
Energy: 1.0766814040889745
Energy: 0.9422528009219293
Energy: 1.0766814040884667
Energy: 0.8902351086097947
Energy: 0.8688176799769933
Energy: 0.890235108609287
Energy: 0.8688176799775011
Energy: 0.890235108609287
Energy: 0.8688176799769933
Energy: 0.8893042320114827
Energy: 0.8510742947817416
Energy: 0.889304232010975
Energy: 0.8510742947817416
Energy: 0.889304232010975
Energy: 0.8510742947817416
Energy: 0.8554506257120594
Energy: 1.026955685241372
Energy: 0.8448933522770441
Energy: 1.026955685241372
Energy: 0.8554506257140906
Energy: 1.026955685241372
Energy: 0.8608244598049618
Energy: 0.8627237151296995
Energy: 0.8608244598049618
Energy: 0.8627237151302072
Energy: 0.8608244598054695
Energy: 0.8627237151302072
Energy: 0.872166861720816
Energy: 0.8139853548780344
Energy: 0.872166861720816
Energy: 0.8139853548775264
Energy: 0.872166861720816
Energy: 0.8139853548780344
Energy: 0.7845074228664018
Energy: 0.9976535915195235
Energy: 0.784507422865894
Energy: 0.9976535915195235
Energy: 0.7845074228669097
Energy: 0.9976535915195235
Energy: 0.8494710014006132
Energy: 1.0908782992316968
Energy: 0.8494710014011209
Energy: 1.0908782992316968
Energy: 0.8494710014001053
Energy: 1.0908782992316968
Energy: 0.8725026819432032
Energy: 0.7841493511342283
Energy: 0.872502681943711
Energy: 0.784149351134736
Energy: 0.8725026819432032
Energy: 0.7841493511342283
Energy: 0.7567022904777609
Energy: 0.8682261392281913
Energy: 0.7567022904767453
Energy: 0.8682261392332691
Energy: 0.7567022904772531
Energy: 0.8682261392271755
Energy: 1.0001753966796898
Energy: 0.9901696365300409
Energy: 1.0001753966791818
Energy: 0.9901696365300409
Energy: 1.0001753966791818
Energy: 0.9901696365300409
Energy: 0.871237583998931
Energy: 0.8793540629133098
Energy: 0.8712375840004544
Energy: 0.8793540629133098
Energy: 0.8712375839999464
Energy: 0.8793540629133098
Energy: 0.6844763281895353
Energy: 0.8671639238077382
Energy: 0.6844763281910586
Energy: 0.8671639238082461
Energy: 0.6844763281890276
Energy: 0.8671639238077382

minimum gb energy = 0.6844763281890276 eV
minimum distance =  2.26206403104028 Angstroms
sigma value = 81


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

Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.8889023560180127
Energy: 0.05007056447371099
Energy: 0.8889023560180127
Energy: 0.05007056447557674
Energy: 0.8889023560180127
Energy: 0.05007056447371099
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.8888882738611007
Energy: 0.05007054905260102
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.10198550533158525
Energy: 0.888902356016147
Energy: 0.05007056447557674
Energy: 0.8889023560180127
Energy: 0.05007056447557674
Energy: 0.8889023560180127
Energy: 0.05007056447371099
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.10198550533158525
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.8889023560180127
Energy: 0.05007056447557674
Energy: 0.8889023560180127
Energy: 0.05007056447557674
Energy: 0.8889023560180127
Energy: 0.05007056447371099
Energy: 0.888888273859235
Energy: 0.05007054905446678
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.888888273859235
Energy: 0.05007054905260102
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.101985505333451
Energy: 0.0489459592862786
Energy: 0.101985505333451

minimum gb energy = 0.0489459592862786 eV
minimum distance =  2.46592278669239 Angstroms
sigma value = 3


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

Energy: 0.9492880426448057
Energy: 0.7948129183597817
Energy: 0.9492880426442472
Energy: 0.7948129183597817
Energy: 0.9492880426448057
Energy: 0.79481291836034
Energy: 0.7898405980530435
Energy: 0.874250917364327
Energy: 0.7898405980530435
Energy: 0.8742509173648852
Energy: 0.7898405980530435
Energy: 0.874250917364327
Energy: 0.8144120992906313
Energy: 0.9021060667816685
Energy: 0.8144120992906313
Energy: 0.9021060667816685
Energy: 0.8144120992900729
Energy: 0.9021060667816685
Energy: 0.8849658097594341
Energy: 0.8416304484155621
Energy: 0.8849658097599924
Energy: 0.8416304484155621
Energy: 0.8849658097599924
Energy: 0.8416304484155621
Energy: 0.6860401922582312
Energy: 0.8414082474645443
Energy: 0.6860401922587896
Energy: 0.8414082474645443
Energy: 0.6860401922587896
Energy: 0.8414082474639859
Energy: 0.8214735887026876
Energy: 0.8502052393376616
Energy: 0.8214735887026876
Energy: 0.8502052393376616
Energy: 0.8214735887026876
Energy: 0.8502052393382199
Energy: 0.8364215829541943
Energy: 0.9001497084891686
Energy: 0.8364215829547527
Energy: 0.9001497084891686
Energy: 0.8364215829541943
Energy: 0.9001497084891686
Energy: 0.6860368114594999
Energy: 0.8406315522150142
Energy: 0.6860368114600582
Energy: 0.8406315522155726
Energy: 0.6860368114600582
Energy: 0.8406315522144558
Energy: 0.8340671536279038
Energy: 0.8379799767569497
Energy: 0.8340671536273456
Energy: 0.8379799767569497
Energy: 0.8340671536273456
Energy: 0.8379799767569497
Energy: 0.8195506289781
Energy: 0.8333069744472721
Energy: 0.8195506289781
Energy: 0.8333069744472721
Energy: 0.8195506289781
Energy: 0.8333069744472721
Energy: 0.7399825197227556
Energy: 0.8147768278713343
Energy: 0.739982519723314
Energy: 0.8147768278713343
Energy: 0.7399825197227556
Energy: 0.8147768278713343
Energy: 0.8599831464963645
Energy: 0.8689543312504788
Energy: 0.8599831464969229
Energy: 0.8689543312504788
Energy: 0.8599831464958063
Energy: 0.8689543312504788
Energy: 0.8428677153962367
Energy: 0.6907487402099162
Energy: 0.8428677153956782
Energy: 0.6907487402099162
Energy: 0.8428677153956782
Energy: 0.6907487402099162
Energy: 0.8676451166989004
Energy: 0.8472006611375711
Energy: 0.8676451166989004
Energy: 0.8472006611381294
Energy: 0.8676451166989004
Energy: 0.8472006611375711
Energy: 0.8671522174583507
Energy: 0.8385669222621132
Energy: 0.8671522174583507
Energy: 0.8385669222626716
Energy: 0.8671522174583507
Energy: 0.8385669222626716
Energy: 0.8440196549892012
Energy: 0.6822821637159661
Energy: 0.8440196549897595
Energy: 0.6822821637159661
Energy: 0.8440196549892012
Energy: 0.6822821637159661
Energy: 0.8775765715707076
Energy: 0.8715996154945279
Energy: 0.8775765715707076
Energy: 0.8715996154945279
Energy: 0.8775765715712658
Energy: 0.8715996154945279
Energy: 0.8690349881187688
Energy: 0.8116995302187416
Energy: 0.8690349881193271
Energy: 0.8116995302181833
Energy: 0.8690349881187688
Energy: 0.8116995302181833
Energy: 0.8936232481558914
Energy: 0.9171166902073062
Energy: 0.8936232481564498
Energy: 0.9171166902073062
Energy: 0.8936232481564498
Energy: 0.9171166902073062
Energy: 0.7849607500593311
Energy: 0.9263785409500933
Energy: 0.7849607500593311
Energy: 0.9263785409500933
Energy: 0.7849607500593311
Energy: 0.9263785409500933
Energy: 0.8879100496711787
Energy: 0.7959097141351311
Energy: 0.8879100496717369
Energy: 0.7959097141345728
Energy: 0.8879100496706201
Energy: 0.7959097141351311
Energy: 0.9431828022297485
Energy: 0.7915556125163163
Energy: 0.9431828022291902
Energy: 0.7915556125163163
Energy: 0.9431828022297485
Energy: 0.7915556125163163
Energy: 0.8121781009082839
Energy: 0.904009168509751
Energy: 0.8121781009077256
Energy: 0.9040091685091928
Energy: 0.8121781009077256
Energy: 0.9040091685091928
Energy: 0.9153189107141405
Energy: 0.7751685630458783
Energy: 0.9153189107152571
Energy: 0.7751685630458783
Energy: 0.9153189107146988
Energy: 0.7751685630458783
Energy: 0.8657226774157918
Energy: 0.8156658062264082
Energy: 0.8657226774152336
Energy: 0.8156658062264082
Energy: 0.8657226774157918
Energy: 0.8156658062264082
Energy: 0.7789328461806075
Energy: 0.8609874883286474
Energy: 0.7789328461806075
Energy: 0.8609874883286474
Energy: 0.7789328461811659
Energy: 0.8609874883286474
Energy: 0.9354931389660399
Energy: 0.7865153902035302
Energy: 0.9354931389665981
Energy: 0.7865153902040887
Energy: 0.9354931389660399
Energy: 0.7865153902035302
Energy: 0.836400040979683
Energy: 0.8330892478327296
Energy: 0.836400040979683
Energy: 0.8330892478327296
Energy: 0.8364000409791248
Energy: 0.8330892478327296
Energy: 0.7527227736261032
Energy: 0.8410857626702176
Energy: 0.7527227736261032
Energy: 0.8410857626702176
Energy: 0.7527227736255448
Energy: 0.8410857626702176
Energy: 0.9505385740767354
Energy: 0.9070295764873658
Energy: 0.950538574076177
Energy: 0.9070295764868076
Energy: 0.9505385740767354
Energy: 0.9070295764868076
Energy: 0.8321019192420537
Energy: 0.8617785606362189
Energy: 0.8321019192420537
Energy: 0.8617785606362189
Energy: 0.8321019192420537
Energy: 0.8617785606362189
Energy: 0.8289033369118842
Energy: 0.8338424022799773
Energy: 0.8289033369124424
Energy: 0.8338424022799773
Energy: 0.8289033369118842
Energy: 0.8338424022794191
Energy: 0.8359585746731794
Energy: 0.918681725898906
Energy: 0.8359585746737377
Energy: 0.918681725898906
Energy: 0.8359585746731794
Energy: 0.918681725898906

minimum gb energy = 0.6822821637159661 eV
minimum distance =  2.33545123418081 Angstroms
sigma value = 67


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

Energy: 1.0913434358884757
Energy: 0.9883628031070127
Energy: 1.091343435889271
Energy: 0.9883628031078084
Energy: 1.0913434358884757
Energy: 0.9883628031070127
Energy: 0.9675212863470161
Energy: 1.0437378546813958
Energy: 0.9675212863462206
Energy: 1.0437378546821912
Energy: 0.9675212863470161
Energy: 1.0437378546821912
Energy: 1.0253522488155729
Energy: 1.058820298569497
Energy: 1.0253522488155729
Energy: 1.058820298569497
Energy: 1.0253522488155729
Energy: 1.058820298569497
Energy: 1.0438105246268652
Energy: 0.9735974075064977
Energy: 1.04381052462607
Energy: 0.9735974075064977
Energy: 1.0438105246268652
Energy: 0.9735974075064977
Energy: 0.9427453545398977
Energy: 0.9558923088038385
Energy: 0.9427453545391022
Energy: 0.9558923088038385
Energy: 0.9427453545398977
Energy: 0.9558923088038385
Energy: 1.028015948980795
Energy: 1.0205995079198371
Energy: 1.0280159489815905
Energy: 1.0205995079198371
Energy: 1.028015948980795
Energy: 1.0205995079198371
Energy: 0.9674899046174029
Energy: 1.067652219101485
Energy: 0.9674899046181984
Energy: 1.067652219101485
Energy: 0.9674899046181984
Energy: 1.0676522191006892
Energy: 1.1013227922949913
Energy: 0.9554767539884826
Energy: 1.1013227922941957
Energy: 0.9554767539876872
Energy: 1.1013227922941957
Energy: 0.9554767539876872
Energy: 1.0457002975082879
Energy: 1.0651790930284537
Energy: 1.0457002975082879
Energy: 1.0651790930292493
Energy: 1.0457002975082879
Energy: 1.0651790930284537
Energy: 1.0210999944080696
Energy: 0.8925287183129723
Energy: 1.0210999944088652
Energy: 0.8925287183129723
Energy: 1.0210999944072743
Energy: 0.8925287183129723
Energy: 1.034535589408396
Energy: 1.0198794584601736
Energy: 1.034535589409987
Energy: 1.0198794584609692
Energy: 1.034535589408396
Energy: 1.0198794584609692
Energy: 1.005011790617231
Energy: 1.0127873799601326
Energy: 1.0050117906164353
Energy: 1.0127873799601326
Energy: 1.005011790617231
Energy: 1.0127873799601326
Energy: 0.9930953579822063
Energy: 1.1233023114295648
Energy: 0.993095357983002
Energy: 1.1233023114295648
Energy: 0.9930953579822063
Energy: 1.1233023114295648
Energy: 0.993664901926745
Energy: 1.0506560599897332
Energy: 0.9936649019243583
Energy: 1.0506560599897332
Energy: 0.9936649019259493
Energy: 1.0506560599897332
Energy: 0.9805574391177452
Energy: 0.9682375614551214
Energy: 0.9805574391177452
Energy: 0.9682375614543257
Energy: 0.9805574391177452
Energy: 0.9682375614543257
Energy: 1.0861760801654683
Energy: 0.99138131029738
Energy: 1.086176080164673
Energy: 0.99138131029738
Energy: 1.086176080164673
Energy: 0.99138131029738
Energy: 1.0064449205010728
Energy: 1.039889330952898
Energy: 1.0064449205010728
Energy: 1.039889330952898
Energy: 1.0064449205018682
Energy: 1.039889330952898
Energy: 1.0019741095929462
Energy: 0.9500209290959553
Energy: 1.0019741095929462
Energy: 0.9500209290959553
Energy: 1.0019741095921508
Energy: 0.9500209290959553
Energy: 1.0174910875302272
Energy: 1.0284765305935488
Energy: 1.0174910875302272
Energy: 1.0284765305935488
Energy: 1.0174910875294316
Energy: 1.0284765305935488
Energy: 1.1391044990278811
Energy: 1.0442283695892052
Energy: 1.1391044990278811
Energy: 1.0442283695892052
Energy: 1.1391044990278811
Energy: 1.0442283695892052
Energy: 1.1267257730371816
Energy: 0.966961731213524
Energy: 1.1267257730371816
Energy: 0.9669617312127283
Energy: 1.1267257730387727
Energy: 0.966961731213524
Energy: 1.0474703694535057
Energy: 1.0885426374673797
Energy: 1.04747036945271
Energy: 1.0885426374673797
Energy: 1.0474703694535057
Energy: 1.0885426374673797
Energy: 1.0136058451467824
Energy: 1.0437540940876877
Energy: 1.0136058451467824
Energy: 1.0437540940876877
Energy: 1.0136058451467824
Energy: 1.0437540940876877

minimum gb energy = 0.8925287183129723 eV
minimum distance =  2.32119999432858 Angstroms
sigma value = 33


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

Energy: 1.2038206194103713
Energy: 1.0799271123539622
Energy: 1.203820619410876
Energy: 1.0799271123529528
Energy: 1.2038206194103713
Energy: 1.0799271123539622
Energy: 1.0804119851296363
Energy: 1.1528779358460697
Energy: 1.0804119851296363
Energy: 1.152877935845565
Energy: 1.0804119851296363
Energy: 1.152877935845565
Energy: 1.1524501263721685
Energy: 1.1536852956385835
Energy: 1.1524501263716638
Energy: 1.1536852956380788
Energy: 1.1524501263726732
Energy: 1.1536852956385835
Energy: 1.1532727735994148
Energy: 1.0887247877768698
Energy: 1.1532727735984052
Energy: 1.0887247877768698
Energy: 1.1532727735994148
Energy: 1.0887247877763653
Energy: 1.0936713474335211
Energy: 1.2137465411236565
Energy: 1.0936713474340258
Energy: 1.2137465411236565
Energy: 1.0936713474335211
Energy: 1.2137465411236565
Energy: 1.33633241067071
Energy: 1.1819268490770094
Energy: 1.3363324106702053
Energy: 1.1819268490770094
Energy: 1.3363324106712147
Energy: 1.1819268490770094
Energy: 1.0868989587203701
Energy: 1.1455290861933598
Energy: 1.0868989587208748
Energy: 1.1455290861933598
Energy: 1.086898958718856
Energy: 1.1455290861933598
Energy: 1.1628700795765512
Energy: 1.1442731195819222
Energy: 1.1628700795760465
Energy: 1.1442731195819222
Energy: 1.162870079577056
Energy: 1.1442731195819222
Energy: 1.1338665430693786
Energy: 1.1543437766869225
Energy: 1.1338665430688741
Energy: 1.1543437766869225
Energy: 1.1338665430688741
Energy: 1.1543437766869225
Energy: 1.2114613965204162
Energy: 1.1640851977967834
Energy: 1.2114613965194068
Energy: 1.1640851977977928
Energy: 1.2114613965204162
Energy: 1.1640851977977928
Energy: 1.1555573985027006
Energy: 1.1573999888039799
Energy: 1.1555573985032053
Energy: 1.1573999888034752
Energy: 1.1555573985016911
Energy: 1.1573999888029705
Energy: 1.0797106807197376
Energy: 1.087730140677107
Energy: 1.0797106807202423
Energy: 1.0877301406766022
Energy: 1.0797106807207468
Energy: 1.0877301406766022
Energy: 1.1959211831690386
Energy: 1.104684682526616
Energy: 1.1959211831680294
Energy: 1.104684682526616
Energy: 1.1959211831690386
Energy: 1.104684682526616
Energy: 1.0912563098049162
Energy: 1.1519769459723177
Energy: 1.0912563098044115
Energy: 1.1519769459723177
Energy: 1.0912563098044115
Energy: 1.1519769459723177
Energy: 1.1205413581602481
Energy: 1.114327073619227
Energy: 1.1205413581602481
Energy: 1.1143270736187223
Energy: 1.1205413581602481
Energy: 1.1143270736187223
Energy: 1.1530968246421869
Energy: 1.2254280830577506
Energy: 1.1530968246426916
Energy: 1.2254280830577506
Energy: 1.1530968246421869
Energy: 1.2254280830577506
Energy: 1.0772702473408744
Energy: 1.1553577472773398
Energy: 1.0772702473418838
Energy: 1.1553577472778447
Energy: 1.077270247339865
Energy: 1.1553577472778447
Energy: 1.1789724896277076
Energy: 1.2665068291290467
Energy: 1.1789724896266982
Energy: 1.2665068291290467
Energy: 1.178972489627203
Energy: 1.2665068291290467
Energy: 1.0770870989618464
Energy: 1.1826785988661936
Energy: 1.077087098960837
Energy: 1.182678598865689
Energy: 1.0770870989613417
Energy: 1.1826785988651844
Energy: 1.23473830449936
Energy: 1.204771847804229
Energy: 1.2347383044998648
Energy: 1.204771847804229
Energy: 1.23473830449936
Energy: 1.204771847804229
Energy: 1.1579352891090189
Energy: 1.1671150585063443
Energy: 1.1579352891090189
Energy: 1.1671150585063443
Energy: 1.1579352891090189
Energy: 1.1671150585063443
Energy: 1.1192185393489766
Energy: 1.0648430555844244
Energy: 1.119218539349986
Energy: 1.0648430555839197
Energy: 1.1192185393489766
Energy: 1.0648430555844244
Energy: 1.1104058164777308
Energy: 1.1573002685903682
Energy: 1.1104058164772261
Energy: 1.1573002685903682
Energy: 1.1104058164772261
Energy: 1.1573002685898635
Energy: 1.2181182577313845
Energy: 1.08944308773969
Energy: 1.2181182577318892
Energy: 1.08944308773969
Energy: 1.2181182577318892
Energy: 1.0894430877391852
Energy: 1.0791995180267804
Energy: 1.0895941345147981
Energy: 1.0791995180267804
Energy: 1.0895941345142937
Energy: 1.0791995180267804
Energy: 1.0895941345147981
Energy: 1.1109101410212858
Energy: 1.1551768920859815
Energy: 1.1109101410207813
Energy: 1.155176892086486
Energy: 1.1109101410212858
Energy: 1.1551768920859815
Energy: 1.0866177676818816
Energy: 1.0631327238989088
Energy: 1.0866177676813769
Energy: 1.0631327238989088
Energy: 1.0866177676818816
Energy: 1.063132723898404
Energy: 1.180944241350486
Energy: 1.213566416953982
Energy: 1.180944241350486
Energy: 1.213566416953982
Energy: 1.1809442413499813
Energy: 1.213566416953982
Energy: 1.2339879988339297
Energy: 1.193385329446701
Energy: 1.2339879988339297
Energy: 1.193385329446701
Energy: 1.2339879988344344
Energy: 1.193385329446701
Energy: 1.0762104721064818
Energy: 1.0547031804792864
Energy: 1.0762104721059769
Energy: 1.0547031804792864
Energy: 1.0762104721059769
Energy: 1.054703180479791
Energy: 1.2241166185436991
Energy: 1.2116822587825486
Energy: 1.2241166185452133
Energy: 1.2116822587825486
Energy: 1.2241166185442038
Energy: 1.2116822587825486
Energy: 1.0963909533709404
Energy: 1.1525143913244007
Energy: 1.0963909533709404
Energy: 1.1525143913233915
Energy: 1.096390953371445
Energy: 1.1525143913233915
Energy: 1.149893352616505
Energy: 1.2255188322612203
Energy: 1.149893352616505
Energy: 1.2255188322612203
Energy: 1.1498933526160005
Energy: 1.225518832261725
Energy: 1.1181594342494328
Energy: 1.205093537091975
Energy: 1.1181594342484233
Energy: 1.205093537091975
Energy: 1.1181594342499375
Energy: 1.205093537091975
Energy: 1.0906999440924916
Energy: 1.1537831652979227
Energy: 1.0906999440924916
Energy: 1.1537831652979227
Energy: 1.0906999440929963
Energy: 1.1537831652979227
Energy: 1.2071130020814251
Energy: 1.1037715988311945
Energy: 1.2071130020814251
Energy: 1.1037715988311945
Energy: 1.2071130020819296
Energy: 1.1037715988306898
Energy: 1.0813073115805212
Energy: 1.1096509637862533
Energy: 1.0813073115810259
Energy: 1.1096509637862533
Energy: 1.0813073115815306
Energy: 1.1096509637862533

minimum gb energy = 1.0547031804792864 eV
minimum distance =  2.30774748980607 Angstroms
sigma value = 41


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

Energy: 1.336809040553743
Energy: 1.287051515064329
Energy: 1.336809040553743
Energy: 1.287051515065707
Energy: 1.336809040553743
Energy: 1.287051515065707
Energy: 1.2510515452293614
Energy: 1.3317055768167398
Energy: 1.2510515452293614
Energy: 1.3317055768167398
Energy: 1.2510515452293614
Energy: 1.3317055768167398
Energy: 1.4979770661112388
Energy: 1.3292623546219238
Energy: 1.4979770661112388
Energy: 1.3292623546219238
Energy: 1.4979770661112388
Energy: 1.3292623546219238
Energy: 1.386801470707731
Energy: 1.3474376073955616
Energy: 1.3868014707063532
Energy: 1.3474376073955616
Energy: 1.386801470707731
Energy: 1.3474376073955616
Energy: 1.3603242499195596
Energy: 1.336846246126606
Energy: 1.3603242499195596
Energy: 1.336846246126606
Energy: 1.3603242499195596
Energy: 1.336846246126606
Energy: 1.478982479539359
Energy: 1.3808001614006045
Energy: 1.4789824795407365
Energy: 1.3808001614006045
Energy: 1.478982479539359
Energy: 1.3808001614006045
Energy: 1.4527590820388228
Energy: 1.241595405897388
Energy: 1.4527590820388228
Energy: 1.241595405897388
Energy: 1.4527590820388228
Energy: 1.241595405897388
Energy: 1.325826927116983
Energy: 1.2983345057670095
Energy: 1.325826927116983
Energy: 1.2983345057670095
Energy: 1.325826927116983
Energy: 1.2983345057670095
Energy: 1.2572342899542046
Energy: 1.2444887144028614
Energy: 1.2572342899542046
Energy: 1.2444887144028614
Energy: 1.2572342899542046
Energy: 1.2444887144028614
Energy: 1.3397093213340154
Energy: 1.3182568252138078
Energy: 1.3397093213326374
Energy: 1.3182568252138078
Energy: 1.3397093213326374
Energy: 1.3182568252138078
Energy: 1.2540013456282786
Energy: 1.3295914668041222
Energy: 1.2540013456282786
Energy: 1.3295914668041222
Energy: 1.2540013456282786
Energy: 1.3295914668027442
Energy: 1.3305524396341213
Energy: 1.3314723692998884
Energy: 1.3305524396341213
Energy: 1.3314723693012664
Energy: 1.3305524396341213
Energy: 1.3314723692998884
Energy: 1.3628060883965356
Energy: 1.3454629442809374
Energy: 1.3628060883965356
Energy: 1.3454629442795594
Energy: 1.3628060883965356
Energy: 1.3454629442795594
Energy: 1.3460881923381025
Energy: 1.3316681213254415
Energy: 1.3460881923381025
Energy: 1.3316681213254415
Energy: 1.3460881923381025
Energy: 1.3316681213254415

minimum gb energy = 1.241595405897388 eV
minimum distance =  2.26697167208045 Angstroms
sigma value = 11


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

Energy: 1.5927585672254394
Energy: 1.5712777052977915
Energy: 1.5927585672260447
Energy: 1.5712777052977915
Energy: 1.5927585672260447
Energy: 1.5712777052977915
Energy: 1.3713211707272852
Energy: 1.5427893382570743
Energy: 1.3713211707278905
Energy: 1.5427893382570743
Energy: 1.3713211707278905
Energy: 1.5427893382570743
Energy: 1.5018263763708308
Energy: 1.4603889621959778
Energy: 1.5018263763708308
Energy: 1.4603889621959778
Energy: 1.5018263763714361
Energy: 1.4603889621959778
Energy: 1.4576244139805814
Energy: 1.3742089040238914
Energy: 1.4576244139811867
Energy: 1.374208904024497
Energy: 1.4576244139811867
Energy: 1.374208904024497
Energy: 1.5077478725574192
Energy: 1.4486938555445081
Energy: 1.5077478725574192
Energy: 1.4486938555445081
Energy: 1.5077478725574192
Energy: 1.4486938555445081
Energy: 1.457813513092391
Energy: 1.49263683554026
Energy: 1.457813513092391
Energy: 1.49263683554026
Energy: 1.4578135130929963
Energy: 1.49263683554026
Energy: 1.4472486013330892
Energy: 1.4484270840195357
Energy: 1.4472486013336947
Energy: 1.4484270840195357
Energy: 1.4472486013343
Energy: 1.4484270840195357
Energy: 1.440897654986961
Energy: 1.4562195296344997
Energy: 1.440897654986961
Energy: 1.4562195296344997
Energy: 1.4408976549875665
Energy: 1.4562195296338947
Energy: 1.4594319618444738
Energy: 1.4589961435793342
Energy: 1.4594319618444738
Energy: 1.4589961435799397
Energy: 1.4594319618444738
Energy: 1.4589961435799397
Energy: 1.4473491761253843
Energy: 1.4509156181523304
Energy: 1.4473491761247792
Energy: 1.4509156181511198
Energy: 1.4473491761247792
Energy: 1.4509156181517253
Energy: 1.395496072390625
Energy: 1.5202928708723522
Energy: 1.3954960723900196
Energy: 1.5202928708717467
Energy: 1.3954960723900196
Energy: 1.5202928708717467
Energy: 1.4736481532417975
Energy: 1.5097147211949309
Energy: 1.4736481532424028
Energy: 1.5097147211949309
Energy: 1.473648153241192
Energy: 1.5097147211949309
Energy: 1.4688258335322035
Energy: 1.4504018587307197
Energy: 1.4688258335322035
Energy: 1.4504018587307197
Energy: 1.4688258335322035
Energy: 1.4504018587307197
Energy: 1.4747594074230017
Energy: 1.4843006868614903
Energy: 1.4747594074230017
Energy: 1.484300686860885
Energy: 1.4747594074230017
Energy: 1.4843006868614903
Energy: 1.4113770869531204
Energy: 1.441079887350933
Energy: 1.4113770869531204
Energy: 1.441079887350933
Energy: 1.4113770869537259
Energy: 1.441079887351538
Energy: 1.517405564719592
Energy: 1.4556644918922925
Energy: 1.5174055647189866
Energy: 1.4556644918922925
Energy: 1.517405564719592
Energy: 1.4556644918922925
Energy: 1.4075937175945619
Energy: 1.4899218915994388
Energy: 1.4075937175945619
Energy: 1.4899218915994388
Energy: 1.4075937175945619
Energy: 1.4899218915994388
Energy: 1.5343768383704615
Energy: 1.5542917656597701
Energy: 1.5343768383698562
Energy: 1.5542917656597701
Energy: 1.5343768383704615
Energy: 1.5542917656597701
Energy: 1.43127847850953
Energy: 1.4011945156121002
Energy: 1.4312784785089248
Energy: 1.4011945156121002
Energy: 1.43127847850953
Energy: 1.4011945156121002
Energy: 1.4619102579031158
Energy: 1.5067927963159946
Energy: 1.4619102579037213
Energy: 1.5067927963166
Energy: 1.4619102579037213
Energy: 1.5067927963166
Energy: 1.3954007938593782
Energy: 1.4116561713809626
Energy: 1.3954007938593782
Energy: 1.4116561713809626
Energy: 1.3954007938593782
Energy: 1.4116561713809626
Energy: 1.54069766818509
Energy: 1.5704862454790578
Energy: 1.5406976681863005
Energy: 1.5704862454790578
Energy: 1.54069766818509
Energy: 1.5704862454790578
Energy: 1.4572306846793228
Energy: 1.4661529957275743
Energy: 1.4572306846799283
Energy: 1.466152995726969
Energy: 1.4572306846793228
Energy: 1.466152995726969
Energy: 1.5017868362294506
Energy: 1.505324980564386
Energy: 1.501786836230056
Energy: 1.505324980564386
Energy: 1.5017868362294506
Energy: 1.505324980564386
Energy: 1.4540634011886966
Energy: 1.4477403290677078
Energy: 1.4540634011880913
Energy: 1.4477403290677078
Energy: 1.4540634011886966
Energy: 1.4477403290677078
Energy: 1.4012143099742225
Energy: 1.5076363657412066
Energy: 1.4012143099748278
Energy: 1.5076363657406013
Energy: 1.4012143099742225
Energy: 1.5076363657406013
Energy: 1.4426838829181774
Energy: 1.5356050705573725
Energy: 1.4426838829175719
Energy: 1.5356050705573725
Energy: 1.4426838829181774
Energy: 1.5356050705573725
Energy: 1.4690562334705486
Energy: 1.4069220986629327
Energy: 1.4690562334705486
Energy: 1.4069220986629327
Energy: 1.4690562334705486
Energy: 1.4069220986629327
Energy: 1.464860233952821
Energy: 1.4764528358062101
Energy: 1.464860233952821
Energy: 1.4764528358056048
Energy: 1.464860233952821
Energy: 1.4764528358062101
Energy: 1.4152057416510877
Energy: 1.3693401984721427
Energy: 1.4152057416516928
Energy: 1.3693401984721427
Energy: 1.4152057416516928
Energy: 1.3693401984721427
Energy: 1.4479062690893
Energy: 1.5227010814328232
Energy: 1.4479062690899056
Energy: 1.5227010814334283
Energy: 1.4479062690899056
Energy: 1.5227010814334283

minimum gb energy = 1.3693401984721427 eV
minimum distance =  2.24477908796406 Angstroms
sigma value = 57


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

Energy: 1.384439277453284
Energy: 1.3221598311990224
Energy: 1.384439277453284
Energy: 1.3221598311990224
Energy: 1.384439277453284
Energy: 1.3221598311990224
Energy: 1.495076020201578
Energy: 1.5278651175780549
Energy: 1.495076020201578
Energy: 1.5278651175780549
Energy: 1.495076020201578
Energy: 1.5278651175769775
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.4006705180855061
Energy: 1.6010789213750978
Energy: 1.4006705180855061
Energy: 1.6010789213750978
Energy: 1.4006705180855061
Energy: 1.6010789213750978
Energy: 1.5277576165719506
Energy: 1.4080392573692608
Energy: 1.5277576165719506
Energy: 1.4080392573692608
Energy: 1.5277576165719506
Energy: 1.4080392573703382
Energy: 1.4951048014856079
Energy: 1.4601142682842492
Energy: 1.4951048014856079
Energy: 1.4601142682842492
Energy: 1.4951048014845307
Energy: 1.4601142682842492
Energy: 1.3844392774554384
Energy: 1.3221598312000995
Energy: 1.3844392774554384
Energy: 1.3221598311990224
Energy: 1.3844392774554384
Energy: 1.3221598312000995
Energy: 1.4950760202005007
Energy: 1.5278651175780549
Energy: 1.4950760202005007
Energy: 1.5278651175780549
Energy: 1.4950760202005007
Energy: 1.5278651175769775
Energy: 1.5280026382504168
Energy: 1.4081475133005847
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.5280026382504168
Energy: 1.4081475133005847
Energy: 1.400670518084429
Energy: 1.4177207357582147
Energy: 1.4006705180855061
Energy: 1.4177207357582147
Energy: 1.400670518084429
Energy: 1.4177207357582147
Energy: 1.5277576165719506
Energy: 1.4080392573703382
Energy: 1.5277576165719506
Energy: 1.4080392573703382
Energy: 1.527757616573028
Energy: 1.4080392573703382
Energy: 1.4951048014856079
Energy: 1.4601142682831723
Energy: 1.4951048014856079
Energy: 1.4601142682831723
Energy: 1.4951048014856079
Energy: 1.4601142682831723
Energy: 1.384439277453284
Energy: 1.3221598311990224
Energy: 1.384439277453284
Energy: 1.3221598311990224
Energy: 1.384439277453284
Energy: 1.322159831197945
Energy: 1.495076020201578
Energy: 1.5278651175769775
Energy: 1.495076020201578
Energy: 1.5278651175769775
Energy: 1.4950760202005007
Energy: 1.5278651175769775
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.5280026382504168
Energy: 1.4081475132995567
Energy: 1.4006705180855061
Energy: 1.4177207357582147
Energy: 1.4006705180855061
Energy: 1.4177207357582147
Energy: 1.4006705180855061
Energy: 1.4177207357582147
Energy: 1.5277576165719506
Energy: 1.4080392573692608
Energy: 1.5277576165719506
Energy: 1.4080392573692608
Energy: 1.5277576165719506
Energy: 1.4080392573692608

minimum gb energy = 1.322159831197945 eV
minimum distance =  2.27736173233069 Angstroms
sigma value = 9


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

Energy: 1.5531815094973658
Energy: 1.592728917136264
Energy: 1.5531815094973658
Energy: 1.592728917136264
Energy: 1.5531815094973658
Energy: 1.592728917136264
Energy: 1.4662012762306293
Energy: 1.4678606786086081
Energy: 1.4662012762306293
Energy: 1.4678606786086081
Energy: 1.4662012762297498
Energy: 1.4678606786086081
Energy: 1.5502022247558829
Energy: 1.4865422911908306
Energy: 1.5048911552789197
Energy: 1.4865422911908306
Energy: 1.5048911552789197
Energy: 1.4865422911908306
Energy: 1.468497573413203
Energy: 1.5568064754101378
Energy: 1.4684975734123238
Energy: 1.5568064754101378
Energy: 1.468497573413203
Energy: 1.5568064754101378
Energy: 1.4789988242625038
Energy: 1.5258568149764695
Energy: 1.4789988242625038
Energy: 1.5258568149764695
Energy: 1.4789988242625038
Energy: 1.5258568149764695
Energy: 1.488367419686484
Energy: 1.5106022519307702
Energy: 1.488367419686484
Energy: 1.5106022519307702
Energy: 1.488367419686484
Energy: 1.51060225193165
Energy: 1.4828168512425501
Energy: 1.5154865870983314
Energy: 1.4828168512425501
Energy: 1.5154865870983314
Energy: 1.4828168512416708
Energy: 1.515486587099211
Energy: 1.4513627743303847
Energy: 1.5195669982610371
Energy: 1.4513627743312643
Energy: 1.5195669982610371
Energy: 1.4513627743303847
Energy: 1.5195669982601574
Energy: 1.5585561239584456
Energy: 1.5145857741007447
Energy: 1.558556123959325
Energy: 1.5145857740989859
Energy: 1.558556123959325
Energy: 1.5145857740998652
Energy: 1.4799014360738667
Energy: 1.506077396094101
Energy: 1.4799014360729872
Energy: 1.506077396094101
Energy: 1.4799014360729872
Energy: 1.506077396094101
Energy: 1.496048897272939
Energy: 1.4707338294723737
Energy: 1.496048897272939
Energy: 1.4707338294723737
Energy: 1.496048897272939
Energy: 1.4707338294723737
Energy: 1.5316119839603672
Energy: 1.5063657324457396
Energy: 1.5316119839612468
Energy: 1.5063657324457396
Energy: 1.5316119839594877
Energy: 1.5063657324457396
Energy: 1.4538273332407614
Energy: 1.498985401604737
Energy: 1.4538273332407614
Energy: 1.498985401604737
Energy: 1.4538273332407614
Energy: 1.4989854016038575
Energy: 1.46093139753767
Energy: 1.476136676618203
Energy: 1.4609313975385498
Energy: 1.476136676618203
Energy: 1.46093139753767
Energy: 1.476136676618203
Energy: 1.5698157530646752
Energy: 1.4882668033919477
Energy: 1.5698157530646752
Energy: 1.4882668033919477
Energy: 1.5698157530646752
Energy: 1.4882668033919477
Energy: 1.567584282898861
Energy: 1.560564954388778
Energy: 1.5675842828997406
Energy: 1.560564954388778
Energy: 1.5675842828997406
Energy: 1.560564954388778
Energy: 1.5852509359555338
Energy: 1.576834227033203
Energy: 1.5852509359564133
Energy: 1.576834227033203
Energy: 1.5852509359555338
Energy: 1.5768342270323235
Energy: 1.6178103302735147
Energy: 1.5004212714122833
Energy: 1.617810330274394
Energy: 1.5004212714122833
Energy: 1.617810330274394
Energy: 1.5004212714122833
Energy: 1.4620622365207578
Energy: 1.4805844303814975
Energy: 1.4620622365207578
Energy: 1.480584430380618
Energy: 1.4620622365198783
Energy: 1.480584430380618
Energy: 1.4748754506700006
Energy: 1.517157193730277
Energy: 1.4748754506700006
Energy: 1.517157193730277
Energy: 1.4748754506700006
Energy: 1.517157193730277
Energy: 1.5307160588595465
Energy: 1.491596650801831
Energy: 1.5307160588586672
Energy: 1.491596650801831
Energy: 1.5307160588595465
Energy: 1.491596650801831

minimum gb energy = 1.4513627743303847 eV
minimum distance =  2.24140607610057 Angstroms
sigma value = 27


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

Energy: 1.5301417700911957
Energy: 1.479783177200399
Energy: 1.530141770090454
Energy: 1.4797831772011403
Energy: 1.5301417700911957
Energy: 1.4797831772011403
Energy: 1.460335534240448
Energy: 1.4786648515248035
Energy: 1.460335534240448
Energy: 1.4786648515240621
Energy: 1.4603355342397069
Energy: 1.4786648515248035
Energy: 1.4482272754107581
Energy: 1.4985766183622806
Energy: 1.4482272754107581
Energy: 1.4985766183622806
Energy: 1.4482272754107581
Energy: 1.4985766183622806
Energy: 1.4399336892062755
Energy: 1.4385519911778182
Energy: 1.439933689207017
Energy: 1.4385519911778182
Energy: 1.439933689207017
Energy: 1.4385519911778182
Energy: 1.444817664744879
Energy: 1.3526165576584932
Energy: 1.444817664744879
Energy: 1.3526165576584932
Energy: 1.444817664744879
Energy: 1.3526165576584932
Energy: 1.3470864735176582
Energy: 1.473609416586652
Energy: 1.347086473516917
Energy: 1.4736094165859106
Energy: 1.3470864735176582
Energy: 1.4736094165859106
Energy: 1.4962804278452193
Energy: 1.4403831974386152
Energy: 1.4962804278459607
Energy: 1.4403831974386152
Energy: 1.4962804278452193
Energy: 1.4403831974386152
Energy: 1.4958974506377394
Energy: 1.53365928926463
Energy: 1.495897450638481
Energy: 1.5336592892638883
Energy: 1.495897450638481
Energy: 1.5336592892638883
Energy: 1.4297148660231713
Energy: 1.4734711511751726
Energy: 1.42971486602243
Energy: 1.473471151174431
Energy: 1.4297148660231713
Energy: 1.473471151174431
Energy: 1.4396244093799766
Energy: 1.4412599071004195
Energy: 1.4396244093784938
Energy: 1.4412599071004195
Energy: 1.4396244093792354
Energy: 1.4412599071004195
Energy: 1.4384935703031951
Energy: 1.4528503909574597
Energy: 1.4384935703031951
Energy: 1.4528503909574597
Energy: 1.438493570302454
Energy: 1.4528503909574597
Energy: 1.4420900167742539
Energy: 1.4963648035177386
Energy: 1.4420900167735125
Energy: 1.4963648035177386
Energy: 1.4420900167742539
Energy: 1.4963648035177386
Energy: 1.5221673668356952
Energy: 1.4908666641714412
Energy: 1.5221673668342122
Energy: 1.4908666641714412
Energy: 1.5221673668356952
Energy: 1.4908666641714412
Energy: 1.4700619834094408
Energy: 1.3990328183717136
Energy: 1.4700619834101822
Energy: 1.3990328183717136
Energy: 1.4700619834094408
Energy: 1.3990328183717136
Energy: 1.3478656060509058
Energy: 1.4738898597983545
Energy: 1.3478656060509058
Energy: 1.4738898597990961
Energy: 1.3478656060509058
Energy: 1.4738898597983545
Energy: 1.4575170419139112
Energy: 1.4320208433518615
Energy: 1.4575170419131698
Energy: 1.4320208433518615
Energy: 1.4575170419131698
Energy: 1.4320208433526032
Energy: 1.4390310069970156
Energy: 1.4484748547768005
Energy: 1.4390310069970156
Energy: 1.4484748547768005
Energy: 1.4390310069970156
Energy: 1.448474854777542
Energy: 1.436965404123649
Energy: 1.4996059863352906
Energy: 1.4369654041229079
Energy: 1.4996059863352906
Energy: 1.4369654041229079
Energy: 1.4996059863352906
Energy: 1.4127453021140766
Energy: 1.4386754399395443
Energy: 1.4127453021140766
Energy: 1.4386754399395443
Energy: 1.4127453021140766
Energy: 1.438675439938803
Energy: 1.5301417700919369
Energy: 1.4797831772011403
Energy: 1.5301417700919369
Energy: 1.4797831772011403
Energy: 1.5301417700919369
Energy: 1.479783177200399
Energy: 1.4603355342411897
Energy: 1.4786648515240621
Energy: 1.4603355342419309
Energy: 1.4786648515240621
Energy: 1.460335534240448
Energy: 1.4786648515240621
Energy: 1.4482272754107581
Energy: 1.4985766183615392
Energy: 1.4482272754107581
Energy: 1.4985766183615392
Energy: 1.4482272754107581
Energy: 1.4985766183615392
Energy: 1.439933689207758
Energy: 1.4385519911785594
Energy: 1.439933689207758
Energy: 1.4385519911778182
Energy: 1.439933689207758
Energy: 1.4385519911785594
Energy: 1.444817664744879
Energy: 1.3526165576577518
Energy: 1.4448176647441375
Energy: 1.3526165576577518
Energy: 1.444817664744879
Energy: 1.3526165576577518
Energy: 1.3470864735176582
Energy: 1.4736094165859106
Energy: 1.3470864735176582
Energy: 1.4736094165859106
Energy: 1.3470864735176582
Energy: 1.4736094165859106

minimum gb energy = 1.347086473516917 eV
minimum distance =  2.30159956837728 Angstroms
sigma value = 19


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

Energy: 1.4599512475357725
Energy: 1.505552129742485
Energy: 1.4599512475351328
Energy: 1.5055521297418453
Energy: 1.4599512475357725
Energy: 1.505552129742485
Energy: 1.4148522557789927
Energy: 1.4270300226153645
Energy: 1.4148522557789927
Energy: 1.4270300226153645
Energy: 1.4148522557789927
Energy: 1.4270300226160044
Energy: 1.5761536531837415
Energy: 1.3939893775960246
Energy: 1.5761536531837415
Energy: 1.3939893775960246
Energy: 1.5761536531837415
Energy: 1.3939893775960246
Energy: 1.404641631812601
Energy: 1.4125345604736628
Energy: 1.404641631812601
Energy: 1.4125345604736628
Energy: 1.404641631812601
Energy: 1.4125345604736628
Energy: 1.4187831222547023
Energy: 1.4877827165510156
Energy: 1.4187831222547023
Energy: 1.4877827165510156
Energy: 1.4187831222547023
Energy: 1.4877827165510156
Energy: 1.4186809325503382
Energy: 1.416322646833464
Energy: 1.4186809325503382
Energy: 1.416322646833464
Energy: 1.4186809325503382
Energy: 1.416322646833464
Energy: 1.3854476654362553
Energy: 1.5514130124144805
Energy: 1.3854476654362553
Energy: 1.5514130124144805
Energy: 1.3854476654368952
Energy: 1.5514130124144805
Energy: 1.427228889776737
Energy: 1.5852952490130463
Energy: 1.427228889776737
Energy: 1.5852952490130463
Energy: 1.427228889776737
Energy: 1.5852952490130463
Energy: 1.5280548512876082
Energy: 1.3856027265226702
Energy: 1.5280548512876082
Energy: 1.3856027265226702
Energy: 1.5280548512876082
Energy: 1.3856027265226702
Energy: 1.4785203213510578
Energy: 1.4095275912165808
Energy: 1.478520321350418
Energy: 1.4095275912165808
Energy: 1.4785203213510578
Energy: 1.4095275912165808
Energy: 1.3873977711672645
Energy: 1.5523371163478517
Energy: 1.3873977711672645
Energy: 1.5523371163478517
Energy: 1.3873977711672645
Energy: 1.5523371163478517
Energy: 1.4736421273699634
Energy: 1.4017348611844476
Energy: 1.4736421273699634
Energy: 1.4017348611844476
Energy: 1.4736421273693234
Energy: 1.4017348611844476
Energy: 1.450822418737885
Energy: 1.434731793571689
Energy: 1.450822418737885
Energy: 1.434731793572329
Energy: 1.450822418737885
Energy: 1.434731793571689
Energy: 1.4153963711743118
Energy: 1.4101830595413514
Energy: 1.4153963711743118
Energy: 1.4101830595413514
Energy: 1.4153963711743118
Energy: 1.4101830595413514
Energy: 1.443941874994455
Energy: 1.3701441447938834
Energy: 1.4439418749950947
Energy: 1.3701441447938834
Energy: 1.4439418749938149
Energy: 1.3701441447932434
Energy: 1.5372088810825122
Energy: 1.3901965620897816
Energy: 1.5372088810818723
Energy: 1.3901965620897816
Energy: 1.5372088810818723
Energy: 1.3901965620897816
Energy: 1.4228151617429752
Energy: 1.4254010917059896
Energy: 1.4228151617429752
Energy: 1.4254010917053497
Energy: 1.4228151617429752
Energy: 1.4254010917059896
Energy: 1.4545782000427323
Energy: 1.5786087545054621
Energy: 1.4545782000420924
Energy: 1.5786087545054621
Energy: 1.4545782000427323
Energy: 1.5786087545054621
Energy: 1.4768529549717142
Energy: 1.415189595102336
Energy: 1.4768529549717142
Energy: 1.415189595102336
Energy: 1.4768529549717142
Energy: 1.415189595102336
Energy: 1.3990100525677798
Energy: 1.4456223063617715
Energy: 1.3990100525671398
Energy: 1.4456223063617715
Energy: 1.39901005256842
Energy: 1.4456223063624114
Energy: 1.3639045875716098
Energy: 1.5710895119775514
Energy: 1.3639045875716098
Energy: 1.5710895119769115
Energy: 1.3639045875716098
Energy: 1.5710895119775514
Energy: 1.530220614669303
Energy: 1.3974577979304081
Energy: 1.530220614669303
Energy: 1.3974577979304081
Energy: 1.530220614669303
Energy: 1.3974577979304081
Energy: 1.5243440980966623
Energy: 1.4222289730507922
Energy: 1.5243440980979424
Energy: 1.4222289730507922
Energy: 1.5243440980973024
Energy: 1.4222289730507922
Energy: 1.4507096904597754
Energy: 1.5173714561691571
Energy: 1.4507096904604153
Energy: 1.5173714561691571
Energy: 1.4507096904597754
Energy: 1.5173714561691571
Energy: 1.4369825844067003
Energy: 1.4136185692544454
Energy: 1.4369825844067003
Energy: 1.4136185692544454
Energy: 1.4369825844067003
Energy: 1.4136185692544454
Energy: 1.4563566043830314
Energy: 1.3980898828865191
Energy: 1.4563566043830314
Energy: 1.3980898828865191
Energy: 1.4563566043830314
Energy: 1.3980898828865191
Energy: 1.379698366738347
Energy: 1.4213716649073738
Energy: 1.379698366737707
Energy: 1.4213716649073738
Energy: 1.379698366738347
Energy: 1.4213716649073738
Energy: 1.4851978305934677
Energy: 1.4063339051304808
Energy: 1.4851978305934677
Energy: 1.4063339051304808
Energy: 1.4851978305928277
Energy: 1.4063339051304808
Energy: 1.4379906485853757
Energy: 1.408205848593521
Energy: 1.437990648584736
Energy: 1.408205848593521
Energy: 1.437990648584736
Energy: 1.408205848593521

minimum gb energy = 1.3639045875716098 eV
minimum distance =  2.26732873456394 Angstroms
sigma value = 101


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

Energy: 1.3596386994831526
Energy: 1.4211434473707176
Energy: 1.3596386994842775
Energy: 1.4211434473707176
Energy: 1.3596386994831526
Energy: 1.4211434473707176
Energy: 1.4714970359547774
Energy: 1.3555463488340902
Energy: 1.4714970359536523
Energy: 1.3555463488335275
Energy: 1.4714970359542148
Energy: 1.355546348832965
Energy: 1.3850579512173529
Energy: 1.3350204750047299
Energy: 1.3850579512173529
Energy: 1.3350204750041674
Energy: 1.3850579512173529
Energy: 1.3350204750041674
Energy: 1.2990724509972238
Energy: 1.5143544848493748
Energy: 1.2990724509977862
Energy: 1.546735913603795
Energy: 1.2990724509972238
Energy: 1.5143544848488122
Energy: 1.4101671561163747
Energy: 1.3913108460481949
Energy: 1.4101671561163747
Energy: 1.3913108460481949
Energy: 1.410167156116937
Energy: 1.3913108460476327
Energy: 1.4127777552684084
Energy: 1.3179998206827892
Energy: 1.4127777552672833
Energy: 1.3179998206827892
Energy: 1.4127777552678458
Energy: 1.3179998206833516
Energy: 1.3652485214701995
Energy: 1.464803416194316
Energy: 1.3652485214713246
Energy: 1.464803416194316
Energy: 1.365248521470762
Energy: 1.4648034161948784
Energy: 1.3206866735379326
Energy: 1.4507459325063705
Energy: 1.3206866735379326
Energy: 1.4507459325052454
Energy: 1.32068667353737
Energy: 1.4507459325052454
Energy: 1.4224672943624959
Energy: 1.3193497194343344
Energy: 1.4224672943630585
Energy: 1.3193497194343344
Energy: 1.4224672943630585
Energy: 1.3193497194343344
Energy: 1.4073927758495641
Energy: 1.3886896991027755
Energy: 1.4073927758495641
Energy: 1.3886896991038493
Energy: 1.4073927758501268
Energy: 1.3886896991038493
Energy: 1.297191985318388
Energy: 1.6070927916525706
Energy: 1.297191985318388
Energy: 1.6070927916525706
Energy: 1.2971919853178255
Energy: 1.6070927916525706
Energy: 1.4702318829396852
Energy: 1.3566072423337752
Energy: 1.4702318829396852
Energy: 1.3566072423337752
Energy: 1.4702318829391228
Energy: 1.3566072423337752
Energy: 1.3851350048755147
Energy: 1.3194454318269773
Energy: 1.3851350048755147
Energy: 1.3194454318264148
Energy: 1.3851350048755147
Energy: 1.3194454318269773
Energy: 1.3602808783339941
Energy: 1.4542354985800505
Energy: 1.3602808783339941
Energy: 1.4542354985806132
Energy: 1.3602808783339941
Energy: 1.4542354985800505
Energy: 1.4584046574772827
Energy: 1.3668707642047604
Energy: 1.4584046574772827
Energy: 1.3668707642047604
Energy: 1.4584046574767202
Energy: 1.3668707642047604
Energy: 1.3849585003411542
Energy: 1.33803596950598
Energy: 1.3849585003411542
Energy: 1.33803596950598
Energy: 1.3849585003417169
Energy: 1.33803596950598
Energy: 1.299158381068039
Energy: 1.4779391393087433
Energy: 1.2991583810669138
Energy: 1.4779391393087433
Energy: 1.2991583810669138
Energy: 1.4779391393087433
Energy: 1.3087446137664396
Energy: 1.3895865145645305
Energy: 1.3087446137675647
Energy: 1.3895865145639679
Energy: 1.3087446137664396
Energy: 1.3895865145639679
Energy: 1.4117400784591634
Energy: 1.3193851088661916
Energy: 1.4117400784591634
Energy: 1.3193851088661916
Energy: 1.4117400784597258
Energy: 1.3193851088656292
Energy: 1.3898691035846313
Energy: 1.4328321310766117
Energy: 1.3898691035846313
Energy: 1.4328321310776855
Energy: 1.389869103584069
Energy: 1.432832131077123
Energy: 1.3177520640000753
Energy: 1.5913310477293512
Energy: 1.317752064000638
Energy: 1.5913310477293512
Energy: 1.3177520640000753
Energy: 1.5913310477293512
Energy: 1.4471660850259151
Energy: 1.31782992617305
Energy: 1.4471660850259151
Energy: 1.31782992617305
Energy: 1.4471660850270405
Energy: 1.3178299261736124
Energy: 1.4764009621287646
Energy: 1.31242078317215
Energy: 1.4764009621287646
Energy: 1.3124207831727124
Energy: 1.4764009621287646
Energy: 1.31242078317215
Energy: 1.2989841884065716
Energy: 1.4714697468253894
Energy: 1.2989841884065716
Energy: 1.4714697468253894
Energy: 1.2989841884065716
Energy: 1.4714697468253894
Energy: 1.595282569811231
Energy: 1.3652440429139632
Energy: 1.5952825698117936
Energy: 1.3652440429139632
Energy: 1.5952825698117936
Energy: 1.3652440429139632
Energy: 1.38849334753643
Energy: 1.337798518010904
Energy: 1.38849334753643
Energy: 1.337798518010904
Energy: 1.3884933475375552
Energy: 1.337798518010904
Energy: 1.3600916870936322
Energy: 1.4460156651964307
Energy: 1.3600916870941948
Energy: 1.446015665195868
Energy: 1.3600916870936322
Energy: 1.446015665195868
Energy: 1.3604730058464338
Energy: 1.362626451990665
Energy: 1.360473005845871
Energy: 1.3626264519912277
Energy: 1.3604730058464338
Energy: 1.3626264519912277
Energy: 1.4756159222954113
Energy: 1.3349137695424917
Energy: 1.4756159222959737
Energy: 1.3349137695424917
Energy: 1.4756159222954113
Energy: 1.3349137695424917
Energy: 1.3315713838589265
Energy: 1.4459812349417982
Energy: 1.331571383858364
Energy: 1.4459812349417982
Energy: 1.3315713838594891
Energy: 1.4459812349417982
Energy: 1.2972942634378672
Energy: 1.414251325443929
Energy: 1.2972942634378672
Energy: 1.414251325443929
Energy: 1.2972942634378672
Energy: 1.414251325443929
Energy: 1.5110259726196522
Energy: 1.31764745498074
Energy: 1.5110259726190896
Energy: 1.31764745498074
Energy: 1.5110259726196522
Energy: 1.31764745498074
Energy: 1.471393837941266
Energy: 1.3449988003152238
Energy: 1.4713938379407034
Energy: 1.3449988003157862
Energy: 1.471393837941266
Energy: 1.3449988003152238

minimum gb energy = 1.2971919853178255 eV
minimum distance =  2.29240021928866 Angstroms
sigma value = 33


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

Energy: 0.020516927260626986
Energy: 1.1180116596049798
Energy: 0.020516927260626986
Energy: 1.1180116596049798
Energy: 0.020516927260626986
Energy: 1.1180116596049798
Energy: 0.021419582749011047
Energy: 0.43500192469196686
Energy: 0.021419582749011047
Energy: 0.43500192469196686
Energy: 0.021419582749011047
Energy: 0.43500192469196686
Energy: 1.8471536305851355
Energy: 0.435166432365892
Energy: 1.8471536305892384
Energy: 0.4351664329396535
Energy: 1.8471536306042993
Energy: 0.4351664318456219
Energy: 0.021419582748076243
Energy: 0.43500192469155136
Energy: 0.021419582748076243
Energy: 0.43500192469155136
Energy: 0.021419582748076243
Energy: 0.43500192469155136

minimum gb energy = 0.020516927260626986 eV
minimum distance =  2.48408830019028 Angstroms
sigma value = 1