Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
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=3.56183634698391
cohesive_energy=3.9401847031687383
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: 0.015721898357371696
Energy: 1.7355419122030962
Energy: 0.015721898357371696
Energy: 1.7355419122030962
Energy: 0.015721898357658845
Energy: 1.7355419122037425
Energy: 1.7355419122030962
Energy: 0.016425448280842966
Energy: 1.7355419122030962
Energy: 0.016425448282099235
Energy: 1.7355419122037425
Energy: 0.016425448280842966
Energy: 0.015721898357371696
Energy: 1.7355419122040656
Energy: 0.015721898357658845
Energy: 1.7355419122037425
Energy: 0.015721898357658845
Energy: 1.7355419122037425
Energy: 1.7355419122034192
Energy: 0.016425448280519925
Energy: 1.7355419122040656
Energy: 0.016425448280519925
Energy: 1.7355419122034192
Energy: 0.016425448281776195
Energy: 0.015721898357371696
Energy: 1.7355419122034192
Energy: 0.015721898357371696
Energy: 1.7355419122034192
Energy: 0.015721898357371696
Energy: 1.7355419122037425
Energy: 1.7355419122037425
Energy: 0.016425448279909743
Energy: 1.7355419122040656
Energy: 0.016425448281776195
Energy: 1.7355419122037425
Energy: 0.016425448281489046

minimum gb energy = 0.015721898357371696 eV
minimum distance =  2.51508179325584 Angstroms
sigma value = 1


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

Energy: 1.9641690188796856
Energy: 1.7545399825272745
Energy: 1.9641690188796856
Energy: 1.75453998252883
Energy: 1.9641690188796856
Energy: 1.754539982530385
Energy: 2.072832209738979
Energy: 1.5992709563521617
Energy: 2.072832209741312
Energy: 1.5992709563529395
Energy: 2.0728322097459775
Energy: 1.5992709563513838
Energy: 1.80617806759847
Energy: 1.8450164772291437
Energy: 1.80617806759847
Energy: 1.845016477230699
Energy: 1.8061780675961374
Energy: 1.8450164772299211
Energy: 1.9779517589947133
Energy: 1.7252173735049685
Energy: 1.9779517589962685
Energy: 1.7252173735049685
Energy: 1.977951758993936
Energy: 1.7252173735049685
Energy: 1.825676854632711
Energy: 1.9752021171313596
Energy: 1.825676854632711
Energy: 1.975202117130582
Energy: 1.825676854631156
Energy: 1.9752021171313596
Energy: 1.8969671228203089
Energy: 1.6843144535261796
Energy: 1.8969671228203089
Energy: 1.684314453526957
Energy: 1.8969671228187537
Energy: 1.6843144535277346
Energy: 1.8099207915189242
Energy: 1.9176862334411633
Energy: 1.8099207915204085
Energy: 1.9176862334466067
Energy: 1.8099207915227413
Energy: 1.9176862334411633
Energy: 1.7078090566015434
Energy: 2.0449046028830575
Energy: 1.7078090566046538
Energy: 2.0449046028830575
Energy: 1.7078090566046538
Energy: 2.0449046028830575
Energy: 1.9209793384804117
Energy: 1.9202662584048593
Energy: 1.9209793384796339
Energy: 1.9202662584048593
Energy: 1.9209793384796339
Energy: 1.9202662584048593
Energy: 1.5902562112626666
Energy: 2.029655297300708
Energy: 1.5902562112603338
Energy: 2.0296552973022632
Energy: 1.5902562112603338
Energy: 2.029655297307671
Energy: 1.9101058189147335
Energy: 1.6966048009298518
Energy: 1.9101058188742985
Energy: 1.6966048009290744
Energy: 1.910105818763173
Energy: 1.6966048009290744
Energy: 1.5120886953087809
Energy: 1.9595236018063167
Energy: 1.5120886953095585
Energy: 1.9595236018039839
Energy: 1.5120886953095585
Energy: 1.9595236018032063
Energy: 2.077895751545435
Energy: 1.4886884488158678
Energy: 2.0778957515446574
Energy: 1.4886884488166454
Energy: 2.0778957515446574
Energy: 1.4886884488158678
Energy: 1.710048320826322
Energy: 1.8246058650133408
Energy: 1.710048320828655
Energy: 1.824605865010301
Energy: 1.7100483208278774
Energy: 1.8246058650133408
Energy: 2.1490578213511093
Energy: 1.5978085728100544
Energy: 2.1490578213511093
Energy: 1.5978085728084992
Energy: 2.1490578213487765
Energy: 1.597808572810832
Energy: 2.1388083582377355
Energy: 1.891647228481283
Energy: 2.1388083582377355
Energy: 1.891647228485949
Energy: 2.1388083582377355
Energy: 1.8916472284843935
Energy: 1.89931070699959
Energy: 1.8431518437754444
Energy: 1.899310707003478
Energy: 1.8431518437746668
Energy: 1.8993107070027004
Energy: 1.8431518437738894
Energy: 1.8988812799975394
Energy: 1.7317502820750363
Energy: 1.8988812799990946
Energy: 1.7317502820750363
Energy: 1.8988812799967618
Energy: 1.731750282074294
Energy: 1.5876496101985769
Energy: 1.7244801599569282
Energy: 1.5876496102009097
Energy: 1.7244801599577058
Energy: 1.587649610196244
Energy: 1.7244801599545956
Energy: 1.8734882957768735
Energy: 1.684806899003552
Energy: 1.8734882957815389
Energy: 1.6848068990027745
Energy: 1.8734882957799839
Energy: 1.6848068990004417
Energy: 1.6185935964742633
Energy: 1.9969217651236308
Energy: 1.6185935964742633
Energy: 1.996921765083973
Energy: 1.618593596472708
Energy: 1.996921765047426
Energy: 1.923766153626607
Energy: 1.9214838946975055
Energy: 1.9237661536250519
Energy: 1.9214838946975055
Energy: 1.923766153626607
Energy: 1.9214838946967279
Energy: 1.5180858830196438
Energy: 2.0725167327102803
Energy: 1.5180858830204216
Energy: 2.0725167327087255
Energy: 1.5180858830196438
Energy: 2.07251673270717

minimum gb energy = 1.4886884488158678 eV
minimum distance =  2.30101084990992 Angstroms
sigma value = 33


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

Energy: 2.010714258450736
Energy: 2.034621340132686
Energy: 2.0107142584489672
Energy: 2.0346213401379933
Energy: 2.010714258449852
Energy: 2.0346213401375515
Energy: 1.904110792410499
Energy: 1.7696134916195378
Energy: 1.9041107924007685
Energy: 1.769613491618211
Energy: 1.9041107924034224
Energy: 1.7696134916208646
Energy: 1.5301463862327134
Energy: 1.7678927926281263
Energy: 1.5301463862335982
Energy: 1.767892792625915
Energy: 1.530146386233156
Energy: 1.767892792625915
Energy: 1.9340672082712365
Energy: 1.9333550968678257
Energy: 1.9340672082654866
Energy: 1.9333550968443842
Energy: 1.9340672082690247
Energy: 1.9333550968081163
Energy: 1.7718073014050975
Energy: 1.8485253090448677
Energy: 1.7718073014086357
Energy: 1.8485253090453098
Energy: 1.7718073014055395
Energy: 1.848525309046637
Energy: 1.8136157306504503
Energy: 1.530505054354129
Energy: 1.8136157306513352
Energy: 1.5305050543550136
Energy: 1.8136157306460274
Energy: 1.530505054354129
Energy: 2.0338729759998353
Energy: 2.0052440726396936
Energy: 2.0338729759666636
Energy: 2.005244072639251
Energy: 2.033872975895052
Energy: 2.0052440726379244
Energy: 1.5225125383174538
Energy: 1.997926254022406
Energy: 1.5225125383183382
Energy: 1.9979262540241753
Energy: 1.5225125383174538
Energy: 1.9979262540246179
Energy: 1.6247845123580755
Energy: 1.5356887050776806
Energy: 1.6247845123580755
Energy: 1.5356887050781227
Energy: 1.6247845123585174
Energy: 1.535688705077238
Energy: 1.4924071396112522
Energy: 1.5377734983669942
Energy: 1.4924071396108098
Energy: 1.5427274143647045
Energy: 1.4924071396103675
Energy: 1.5425223970167934
Energy: 1.5365528104530806
Energy: 1.49770052634386
Energy: 1.5430257824053233
Energy: 1.4977005263434178
Energy: 1.5423523325495505
Energy: 1.4977005263434178
Energy: 1.5321875495189166
Energy: 1.6260216514175845
Energy: 1.5321875495198012
Energy: 1.626021651418027
Energy: 1.5321875495193589
Energy: 1.6260216514175845
Energy: 2.067916368830893
Energy: 1.5224685621571545
Energy: 2.0679163688269124
Energy: 1.5224685621571545
Energy: 2.0679163688291236
Energy: 1.5224685621580394
Energy: 1.9988969037104274
Energy: 2.0345218413704953
Energy: 1.9988969037113118
Energy: 2.034521841355015
Energy: 1.9988969037104274
Energy: 2.0345218413501494
Energy: 1.7989766865359136
Energy: 1.7690787466973594
Energy: 1.7989766865376826
Energy: 1.769078746695148
Energy: 1.7989766865266255
Energy: 1.7690787466947058
Energy: 1.5305817882515989
Energy: 1.7684834221961871
Energy: 1.5305817882511568
Energy: 1.7684834221917642
Energy: 1.5305817882507144
Energy: 1.768483422198399
Energy: 1.9323745338866813
Energy: 1.9356451726668473
Energy: 1.9323745338645666
Energy: 1.9356451726681745
Energy: 1.9323745338385114
Energy: 1.935645172669059
Energy: 1.7680172707942583
Energy: 1.5307515186003768
Energy: 1.7680172707960276
Energy: 1.5307515186003768
Energy: 1.7680172707938162
Energy: 1.5307515186003768
Energy: 1.7735681739502676
Energy: 1.7983898044823585
Energy: 1.7735681739511522
Energy: 1.7983898044806295
Energy: 1.7735681739507096
Energy: 1.798389804483685
Energy: 2.037004093402388
Energy: 2.0015241427748296
Energy: 2.037004093399734
Energy: 2.0015241427743873
Energy: 2.037004093405042
Energy: 2.0015241427748296
Energy: 1.5215987837745917
Energy: 2.067781631818301
Energy: 1.5215987837759186
Energy: 2.067781631815647
Energy: 1.521598783776803
Energy: 2.067781631778092
Energy: 1.7682884565228445
Energy: 1.5360232626379187
Energy: 1.7682884565228445
Energy: 1.5360232626379187
Energy: 1.7682884565285943
Energy: 1.5360232626374763
Energy: 1.492590544181756
Energy: 1.5355548226254923
Energy: 1.4925905441826406
Energy: 1.5414410267154333
Energy: 1.4925905441821983
Energy: 1.5412026629975157
Energy: 1.9594339072159443
Energy: 1.76998831420225
Energy: 1.959433907218156
Energy: 1.7699883142018078
Energy: 1.9594339072163867
Energy: 1.7699883142013653
Energy: 1.5302771058663314
Energy: 1.8140033515611529
Energy: 1.5302771058650044
Energy: 1.8140033515607104
Energy: 1.5302771058645621
Energy: 1.8140033515584988
Energy: 1.9978186829651672
Energy: 2.036975272424991
Energy: 1.9978186829669364
Energy: 2.036975272418799
Energy: 1.9978186829691482
Energy: 2.036975272413491
Energy: 1.9978082209770003
Energy: 2.0368276425431566
Energy: 1.9978082209783272
Energy: 2.0368276425427148
Energy: 1.99780822096727
Energy: 2.0368276425422724
Energy: 1.5304372148006382
Energy: 1.8140268825949635
Energy: 1.5304372148010805
Energy: 1.8140268825927521
Energy: 1.5304372148015228
Energy: 1.8140268825918677
Energy: 1.9595502745254547
Energy: 1.7701349538081028
Energy: 1.9595502745254547
Energy: 1.7701349538058915
Energy: 1.9595502745267819
Energy: 1.7701349538041222
Energy: 1.4926164327013511
Energy: 1.9527915406169627
Energy: 1.4926164327009088
Energy: 1.9527914935216462
Energy: 1.4926164327004663
Energy: 1.9527913834843786
Energy: 1.7685847243590813
Energy: 1.5360280257544479
Energy: 1.7685847243533317
Energy: 1.5360280257540053
Energy: 1.7685847243551007
Energy: 1.53602802575489
Energy: 1.5216530267997008
Energy: 2.068063673187715
Energy: 1.521653026800143
Energy: 2.0680636731740036
Energy: 1.521653026800143
Energy: 2.06806367315985
Energy: 2.0363899282367246
Energy: 2.001542295070128
Energy: 2.036389928231417
Energy: 2.001542295068801
Energy: 2.036389928230532
Energy: 2.0015422950692434
Energy: 1.7736645511765348
Energy: 1.7985796128073879
Energy: 1.7736645511774192
Energy: 1.7985796128122529
Energy: 1.7736645511778617
Energy: 1.7985796128144644
Energy: 1.76806040638838
Energy: 1.5305185019238838
Energy: 1.7680604063874954
Energy: 1.5305185019238838
Energy: 1.7680604063839571
Energy: 1.5305185019234417
Energy: 1.9325224118781847
Energy: 1.9348450434004802
Energy: 1.932522411830417
Energy: 1.9348450434000377
Energy: 1.9325224117663244
Energy: 1.9348450434044608
Energy: 1.5306576412742163
Energy: 1.7683968403839012
Energy: 1.5306576412733317
Energy: 1.7683968403843437
Energy: 1.5306576412742163
Energy: 1.7683968403839012
Energy: 1.7991519137057215
Energy: 1.7690969046563543
Energy: 1.7991519137136824
Energy: 1.7690969046572391
Energy: 1.799151913712798
Energy: 1.7690969046576817
Energy: 1.9988764538653847
Energy: 2.0346552698444427
Energy: 1.998876453865827
Energy: 2.0346552698493077
Energy: 1.998876453865827
Energy: 2.0346552698431157
Energy: 2.0680885411843617
Energy: 1.5226636280933867
Energy: 2.0680885411794967
Energy: 1.5226636280929446
Energy: 2.0680885411733048
Energy: 1.5226636280933867
Energy: 1.5321852368366018
Energy: 1.6260122732426834
Energy: 1.5321852368357174
Energy: 1.6260122732426834
Energy: 1.5321852368361595
Energy: 1.6260122732426834

minimum gb energy = 1.4924071396103675 eV
minimum distance =  2.34117743369454 Angstroms
sigma value = 51


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

Energy: 1.906414135575337
Energy: 1.9101852550104013
Energy: 1.906414135575337
Energy: 1.9101852550093763
Energy: 1.906414135575337
Energy: 1.910185255007327
Energy: 1.9982059040345217
Energy: 1.70522043788527
Energy: 1.9982059040396454
Energy: 1.7052204378883447
Energy: 1.9982059040396454
Energy: 1.7052204378903941
Energy: 1.7120166351913733
Energy: 1.8530242676753281
Energy: 1.7120166351903485
Energy: 1.8530242676722541
Energy: 1.712016635188299
Energy: 1.8530242676712292
Energy: 1.8743496768252843
Energy: 1.5651824058840293
Energy: 1.874349676826309
Energy: 1.5651824058830046
Energy: 1.8743496768242596
Energy: 1.5651824058840293
Energy: 1.8810121273151938
Energy: 1.853701805657568
Energy: 1.8810121273162188
Energy: 1.8537018056616672
Energy: 1.8810121273182683
Energy: 1.8537018056606425
Energy: 1.8998841088280995
Energy: 1.853710927094739
Energy: 1.8998841088311738
Energy: 1.853710927095764
Energy: 1.899884108830149
Energy: 1.853710927094739
Energy: 1.8311290248260939
Energy: 1.8538112960399844
Energy: 1.8311290248281435
Energy: 1.8538112960379347
Energy: 1.8311290248250691
Energy: 1.85381129603691
Energy: 1.71796765942598
Energy: 1.8545442805221835
Energy: 1.717967659427005
Energy: 1.854544280524233
Energy: 1.7179676594290545
Energy: 1.8545442805283319
Energy: 2.103066664976347
Energy: 1.5650070087189472
Energy: 2.103066664977372
Energy: 1.565007008719972
Energy: 2.103066664976347
Energy: 1.565007008719972
Energy: 1.6033595387070019
Energy: 2.0820409369469535
Energy: 1.6033595387059771
Energy: 2.0820409369469535
Energy: 1.6033595387059771
Energy: 2.0820409369438795
Energy: 1.9225210793907832
Energy: 1.5790908354464142
Energy: 1.922520960156259
Energy: 1.5790908354453892
Energy: 1.922516954879195
Energy: 1.5790908354453892
Energy: 1.9070011617097853
Energy: 1.9115550873307294
Energy: 1.9070011617097853
Energy: 1.9115550873317542
Energy: 1.907001161711835
Energy: 1.9115550873307294
Energy: 1.9962783968841502
Energy: 1.706467484659258
Energy: 1.9962783921886136
Energy: 1.7064674846572083
Energy: 1.9962783787575427
Energy: 1.7064674846572083
Energy: 1.8307047170417037
Energy: 1.7474926604320615
Energy: 1.8307047170447779
Energy: 1.7474926604341112
Energy: 1.830704717043753
Energy: 1.747492660430012
Energy: 1.8479082939555214
Energy: 1.8896231619279564
Energy: 1.8479082939544966
Energy: 1.8896231619279564
Energy: 1.8479082939555214
Energy: 1.8896231619289812
Energy: 1.8794901137801667
Energy: 1.8535781749485616
Energy: 1.8794901137791422
Energy: 1.8535781749434377
Energy: 1.8794901137801667
Energy: 1.8535781749444626
Energy: 1.8813705414519188
Energy: 2.0183061723163327
Energy: 1.881370541454993
Energy: 2.0183061723173576
Energy: 1.881370541454993
Energy: 2.0183061723173576
Energy: 1.8332486941959718
Energy: 1.8567758145557154
Energy: 1.833248694194947
Energy: 1.8567758145557154
Energy: 1.8332486941969965
Energy: 1.8567758145557154

minimum gb energy = 1.5650070087189472 eV
minimum distance =  2.20944811240914 Angstroms
sigma value = 19


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

Energy: 1.540091683039016
Energy: 1.5527693592145078
Energy: 1.540091683039016
Energy: 1.5527693592145078
Energy: 1.540091683038408
Energy: 1.5527693592145078
Energy: 1.7013591296673976
Energy: 1.9043812004690954
Energy: 1.7013591296691937
Energy: 1.9043812004684875
Energy: 1.7013591296673976
Energy: 1.9043812004697032
Energy: 1.471472524468862
Energy: 1.9005469265677613
Energy: 1.4714725244694697
Energy: 1.900546926568977
Energy: 1.4714725244694697
Energy: 1.9005469265665451
Energy: 1.6126982755528885
Energy: 1.4717621027933867
Energy: 1.6126982755522803
Energy: 1.4717621027927787
Energy: 1.6126982755528885
Energy: 1.4717621027927787
Energy: 1.5215295616642968
Energy: 1.5387647852640203
Energy: 1.5215295616642968
Energy: 1.5387647852640203
Energy: 1.5215295616649045
Energy: 1.5387647852634125
Energy: 1.5215483382416892
Energy: 1.5386423467547496
Energy: 1.5215483382416892
Energy: 1.5386423467559656
Energy: 1.5215483382410813
Energy: 1.5386423467559656
Energy: 1.6126656321309305
Energy: 1.4717564824929228
Energy: 1.6126656321266755
Energy: 1.4717564824929228
Energy: 1.6126656321260673
Energy: 1.4717564824929228
Energy: 1.4714733324975589
Energy: 1.9005028324228377
Energy: 1.4714733324975589
Energy: 1.9005028324246616
Energy: 1.4714733324981666
Energy: 1.9005028324246616
Energy: 1.7012497000725877
Energy: 1.9045510109603427
Energy: 1.701249700076815
Energy: 1.9045510109603427
Energy: 1.701249700076815
Energy: 1.9045510109597348
Energy: 1.5400916830378002
Energy: 1.5527693592138998
Energy: 1.540091683038408
Energy: 1.5527693592145078
Energy: 1.5400916830378002
Energy: 1.5527693592145078
Energy: 1.7013591296673976
Energy: 1.9043812004690954
Energy: 1.7013591296673976
Energy: 1.9043812004672716
Energy: 1.7013591296686132
Energy: 1.9043812004690954
Energy: 1.4714725244694697
Energy: 1.9005469265714081
Energy: 1.471472524468254
Energy: 1.9005469265714081
Energy: 1.471472524468862
Energy: 1.9005469265671533
Energy: 1.6126982755516726
Energy: 1.4717621027933867
Energy: 1.6126982755522803
Energy: 1.4717621027927787
Energy: 1.6126982755522803
Energy: 1.4717621027927787
Energy: 1.5215295616649045
Energy: 1.5387647852621966
Energy: 1.5215295616649045
Energy: 1.538764785264628
Energy: 1.5215295616642968
Energy: 1.538764785264628
Energy: 1.5215483382416892
Energy: 1.5386423467559656
Energy: 1.5215483382422974
Energy: 1.538642346757181
Energy: 1.5215483382416892
Energy: 1.5386423467559656
Energy: 1.6126656321278912
Energy: 1.4717564824929228
Energy: 1.6126656321230277
Energy: 1.4717564824929228
Energy: 1.6126656321303225
Energy: 1.4717564824929228
Energy: 1.4714733324981666
Energy: 1.9005028324240536
Energy: 1.4714733324975589
Energy: 1.9005028324283089
Energy: 1.4714733324981666
Energy: 1.9005028324264852
Energy: 1.7012497000762072
Energy: 1.9045510109609505
Energy: 1.701249700076815
Energy: 1.9045510109603427
Energy: 1.7012497000786388
Energy: 1.9045510109603427
Energy: 1.5400916830378002
Energy: 1.5527693592138998
Energy: 1.540091683038408
Energy: 1.5527693592138998
Energy: 1.540091683038408
Energy: 1.5527693592138998
Energy: 1.7013591296673976
Energy: 1.9043812004690954
Energy: 1.7013591296667898
Energy: 1.9043812004684875
Energy: 1.7013591296673976
Energy: 1.9043812004690954
Energy: 1.4714725244694697
Energy: 1.900546926568977
Energy: 1.4714725244694697
Energy: 1.9005469265683688
Energy: 1.4714725244700777
Energy: 1.9005469265659374
Energy: 1.6126982755510648
Energy: 1.4717621027927787
Energy: 1.6126982755504569
Energy: 1.4717621027933867
Energy: 1.6126982755504569
Energy: 1.4717621027933867
Energy: 1.5215295616649045
Energy: 1.5387647852628046
Energy: 1.5215295616649045
Energy: 1.5387647852615887
Energy: 1.5215295616649045
Energy: 1.5387647852628046
Energy: 1.5215483382416892
Energy: 1.5386423467553576
Energy: 1.5215483382416892
Energy: 1.5386423467553576
Energy: 1.5215483382416892
Energy: 1.5386423467553576
Energy: 1.6126656321242439
Energy: 1.4717564824929228
Energy: 1.6126656321278912
Energy: 1.4717564824929228
Energy: 1.6126656321254595
Energy: 1.4717564824929228
Energy: 1.4714733324975589
Energy: 1.9005028324252693
Energy: 1.4714733324975589
Energy: 1.9005028324258773
Energy: 1.4714733324975589
Energy: 1.9005028324246616
Energy: 1.7012497000762072
Energy: 1.9045510109603427
Energy: 1.7012497000749913
Energy: 1.9045510109603427
Energy: 1.7012497000762072
Energy: 1.9045510109597348
Energy: 1.5400916830396238
Energy: 1.5527693592138998
Energy: 1.540091683038408
Energy: 1.5527693592132918
Energy: 1.5400916830378002
Energy: 1.5527693592138998
Energy: 1.7013591296698014
Energy: 1.9043812004684875
Energy: 1.7013591296691937
Energy: 1.9043812004690954
Energy: 1.7013591296673976
Energy: 1.9043812004697032
Energy: 1.4714725244694697
Energy: 1.9005469265714081
Energy: 1.4714725244694697
Energy: 1.9005469265695847
Energy: 1.4714725244700777
Energy: 1.9005469265677613

minimum gb energy = 1.471472524468254 eV
minimum distance =  2.23739756571589 Angstroms
sigma value = 27


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

Energy: 1.4766719423944374
Energy: 1.4457504093879483
Energy: 1.4766719423959263
Energy: 1.4457504093879483
Energy: 1.4766719423944374
Energy: 1.4457504093864593
Energy: 1.6558999826938334
Energy: 1.4905729401172187
Energy: 1.411559543569325
Energy: 1.4905729401172187
Energy: 1.4113334753787525
Energy: 1.4905729401157295
Energy: 1.4933363164955644
Energy: 1.646218804140861
Energy: 1.4933363164955644
Energy: 1.6462188041438388
Energy: 1.4933363164955644
Energy: 1.64621880414235
Energy: 1.8024251806928215
Energy: 1.405482677777217
Energy: 1.8024251805261229
Energy: 1.405482677777217
Energy: 1.8024251799918143
Energy: 1.405482677777217
Energy: 1.801428878042316
Energy: 1.4056128486429806
Energy: 1.801428878034871
Energy: 1.4056128486429806
Energy: 1.8014288780378491
Energy: 1.4056128486414916
Energy: 1.7354884052176374
Energy: 1.8044712220890409
Energy: 1.7354884052161481
Energy: 1.8044712220890409
Energy: 1.7354884052176374
Energy: 1.8044712220920187
Energy: 1.630156892185568
Energy: 1.4939251964516966
Energy: 1.630156892185568
Energy: 1.4939251964516966
Energy: 1.6301568921870568
Energy: 1.4939251964516966
Energy: 1.475713055030164
Energy: 1.4445134570941704
Energy: 1.475713055028675
Energy: 1.4445134570956595
Energy: 1.475713055028675
Energy: 1.4445134570956595
Energy: 1.6572273897332237
Energy: 1.4927415772793684
Energy: 1.6572273769396038
Energy: 1.4927415794240466
Energy: 1.6572273262785855
Energy: 1.4927415497349943
Energy: 1.5986940875171398
Energy: 1.7398657631792462
Energy: 1.598694087518629
Energy: 1.7398657631747796
Energy: 1.598694087518629
Energy: 1.7398657631762684
Energy: 1.444644472167902
Energy: 1.4084401128734136
Energy: 1.444644472167902
Energy: 1.4084401128734136
Energy: 1.4446444721693907
Energy: 1.4084401128734136
Energy: 1.8010458689925843
Energy: 1.657025141540354
Energy: 1.8010458689896065
Energy: 1.657025141540354
Energy: 1.8010458689910955
Energy: 1.657025141540354

minimum gb energy = 1.405482677777217 eV
minimum distance =  2.21395172549701 Angstroms
sigma value = 9


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

Energy: 1.526743958562692
Energy: 1.3382564208736618
Energy: 1.5267439585622737
Energy: 1.3382564208732435
Energy: 1.5267439585618554
Energy: 1.3382564208732435
Energy: 1.4024262529304024
Energy: 1.3174642891613149
Energy: 1.4024262529362215
Energy: 1.3174642891613149
Energy: 1.4024262529316576
Energy: 1.3174642891613149
Energy: 1.2827059783421622
Energy: 1.437409371051311
Energy: 1.2827059783421622
Energy: 1.4374093710517293
Energy: 1.2827059783413255
Energy: 1.4374093710521476
Energy: 1.3258216740669082
Energy: 1.274792699327834
Energy: 1.3258216740664897
Energy: 1.2747926993269973
Energy: 1.3258216740656528
Energy: 1.2747926993269973
Energy: 1.3739727709576584
Energy: 1.3386340057795114
Energy: 1.37397277095975
Energy: 1.33863400577993
Energy: 1.3739727709622602
Energy: 1.3386340057811847
Energy: 1.452635704538091
Energy: 1.4330170884976539
Energy: 1.452635704540183
Energy: 1.4330170884758988
Energy: 1.4526357045418186
Energy: 1.4330170884733886
Energy: 1.381990430384817
Energy: 1.4331714804047053
Energy: 1.3819904303873272
Energy: 1.4331714804051237
Energy: 1.3819904303869088
Energy: 1.4331714803950828
Energy: 1.253267435377037
Energy: 1.3852114872443346
Energy: 1.2532674353766187
Energy: 1.3852114872443346
Energy: 1.253267435377037
Energy: 1.3852114872443346
Energy: 1.4039022093248208
Energy: 1.3394321350904987
Energy: 1.4039022093264941
Energy: 1.3394321350904987
Energy: 1.403902209329423
Energy: 1.339432135090917
Energy: 1.3652688815085554
Energy: 1.5064025717388632
Energy: 1.3652688815089737
Energy: 1.5064004941340714
Energy: 1.3652688815098104
Energy: 1.5063957109953166
Energy: 1.3235591361107437
Energy: 1.283663137891971
Energy: 1.323559136113254
Energy: 1.283663137891971
Energy: 1.3235591361128354
Energy: 1.2836631378915524
Energy: 1.3072466316946674
Energy: 1.4248720719785701
Energy: 1.307246631695086
Energy: 1.4248720719764782
Energy: 1.3072466316938307
Energy: 1.4248720719927948
Energy: 1.416558073564442
Energy: 1.4057351544756385
Energy: 1.4165580735598402
Energy: 1.4057351544710364
Energy: 1.416558073538123
Energy: 1.4057351544710364
Energy: 1.5170837879335712
Energy: 1.4189607140653178
Energy: 1.5170837879256223
Energy: 1.418960714061134
Energy: 1.5170837879323162
Energy: 1.4189607140648994
Energy: 1.2887929178662325
Energy: 1.461260024903724
Energy: 1.2887929178653958
Energy: 1.4612600249058156
Energy: 1.2887929178649773
Energy: 1.461260024904979
Energy: 1.2941135451304717
Energy: 1.4418189212650367
Energy: 1.2941135451338188
Energy: 1.4418189212733659
Energy: 1.2941135451346555
Energy: 1.4418189212662917
Energy: 1.286320384044644
Energy: 1.275882282545045
Energy: 1.2865881179067111
Energy: 1.275882282542535
Energy: 1.286567100288991
Energy: 1.2758822825463005
Energy: 1.3093965511075987
Energy: 1.3542040724141629
Energy: 1.3093965511088541
Energy: 1.354204072413326
Energy: 1.3093965511038335
Energy: 1.354204072413326
Energy: 1.2464231189996218
Energy: 1.7244044751816523
Energy: 1.2464231190000403
Energy: 1.7243980300814712
Energy: 1.2464231190012953
Energy: 1.724386127230378
Energy: 1.5354966684754086
Energy: 1.3275830714595611
Energy: 1.535496668477082
Energy: 1.3275830714616528
Energy: 1.5354966684741536
Energy: 1.3275830714595611
Energy: 1.2463241965184004
Energy: 1.2278346781056317
Energy: 1.2463241965188188
Energy: 1.1991822216089498
Energy: 1.246324196517982
Energy: 1.1988968380200569
Energy: 1.309394045670242
Energy: 1.3541606040188396
Energy: 1.3093940456735889
Energy: 1.3541606040192578
Energy: 1.3093940456706603
Energy: 1.3541606040188396
Energy: 1.2870015281550768
Energy: 1.2759665513005405
Energy: 1.2869684004797155
Energy: 1.2759665513030505
Energy: 1.2867646370892938
Energy: 1.2759665513063974
Energy: 1.294432395555032
Energy: 1.3836090594510533
Energy: 1.2944323955554502
Energy: 1.38360905944938
Energy: 1.2944323955558688
Energy: 1.3836090594468697
Energy: 1.2885655098947686
Energy: 1.4615128170904026
Energy: 1.2885655098947686
Energy: 1.461512817088729
Energy: 1.2885655098943505
Energy: 1.461512817088729
Energy: 1.5169823930652557
Energy: 1.4188144211632785
Energy: 1.5169823930669293
Energy: 1.4188144211641154
Energy: 1.5169823930769701
Energy: 1.4188144211624418
Energy: 1.4165379042096613
Energy: 1.4062400574384673
Energy: 1.416537904205896
Energy: 1.4062400574384673
Energy: 1.4165378409637388
Energy: 1.4062400574405591
Energy: 1.3076329983168795
Energy: 1.290920530047773
Energy: 1.307632998315206
Energy: 1.2909205300494466
Energy: 1.3076329983160426
Energy: 1.290920530053212
Energy: 1.3238581874297815
Energy: 1.283708967608887
Energy: 1.3238581874302
Energy: 1.2837089676080502
Energy: 1.3238581874306183
Energy: 1.2837089676084685
Energy: 1.365384033472245
Energy: 1.2438576292759078
Energy: 1.3653840334726632
Energy: 1.2438576292754893
Energy: 1.365384033474755
Energy: 1.2438576292704688
Energy: 1.4046362735314857
Energy: 1.339428964794634
Energy: 1.404636273523537
Energy: 1.3394289647950526
Energy: 1.404636273526047
Energy: 1.3394289647954707
Energy: 1.2533211940870752
Energy: 1.3849590039590907
Energy: 1.2533211940866567
Energy: 1.3849590039590907
Energy: 1.2533211940874933
Energy: 1.384959003958254
Energy: 1.3820770536493088
Energy: 1.4362288354242954
Energy: 1.3820770536476352
Energy: 1.4362288354276425
Energy: 1.3820770536467986
Energy: 1.4362288354297341
Energy: 1.4525080904972945
Energy: 1.3120702060545024
Energy: 1.4525080904981313
Energy: 1.3120702060532472
Energy: 1.4525080904947842
Energy: 1.3120702060532472
Energy: 1.3739454060736365
Energy: 1.338432728308232
Energy: 1.3739454060711263
Energy: 1.3384327283086503
Energy: 1.3739454060711263
Energy: 1.338432728308232
Energy: 1.3258198426068912
Energy: 1.2751824842557715
Energy: 1.325819842608565
Energy: 1.2751824842557715
Energy: 1.325819842608565
Energy: 1.2751824842545165
Energy: 1.2820389025929662
Energy: 1.437482036729073
Energy: 1.2820389025929662
Energy: 1.437482036726981
Energy: 1.2820389025933845
Energy: 1.4374820367294912
Energy: 1.4023805750513791
Energy: 1.388955155645953
Energy: 1.4023805749832232
Energy: 1.3889551556317286
Energy: 1.402380575500935
Energy: 1.388955155634657
Energy: 1.526743958561437
Energy: 1.3382564208778456
Energy: 1.526743958561437
Energy: 1.3382564208778456
Energy: 1.5267439585610185
Energy: 1.338256420877427
Energy: 1.4024262529295655
Energy: 1.332324799344615
Energy: 1.402426252941242
Energy: 1.332324799344615
Energy: 1.4024262529295655
Energy: 1.332324799344615
Energy: 1.2827059783429988
Energy: 1.4374093710504743
Energy: 1.2827059783429988
Energy: 1.437409371051311
Energy: 1.282705978345509
Energy: 1.437409371051311
Energy: 1.3258216740669082
Energy: 1.2747926993315992
Energy: 1.3258216740677449
Energy: 1.2747926993311811
Energy: 1.3258216740673263
Energy: 1.2747926993311811
Energy: 1.37397277095975
Energy: 1.3386340057782564
Energy: 1.3739727709618421
Energy: 1.3386340057761645
Energy: 1.373972770964352
Energy: 1.3386340057770012

minimum gb energy = 1.1988968380200569 eV
minimum distance =  2.31835534304798 Angstroms
sigma value = 57


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

Energy: 1.431247785197346
Energy: 1.1579433349429962
Energy: 0.7061403227294929
Energy: 1.1579433349449009
Energy: 1.4312477851963938
Energy: 1.1579433349458532
Energy: 1.2648641021349742
Energy: 1.1553479189424576
Energy: 1.2648641021359264
Energy: 1.1546743638137231
Energy: 1.2648641021359264
Energy: 1.1553479189453149
Energy: 1.1671290648951815
Energy: 1.1786455569574985
Energy: 1.1671290648961339
Energy: 1.0701191809384831
Energy: 1.1671290648961339
Energy: 1.1786455570441197
Energy: 1.1570262943574348
Energy: 1.0387925427753046
Energy: 1.157026294358387
Energy: 0.7055171771645701
Energy: 1.1570262943602918
Energy: 1.0387925427772091
Energy: 0.8226959691783708
Energy: 1.2736186320996625
Energy: 0.8226959691821802
Energy: 1.2736186320987104
Energy: 0.8226959691812278
Energy: 1.2736186321025196
Energy: 0.7056043433691555
Energy: 1.171864468026347
Energy: 0.7056043433701079
Energy: 1.171864468026347
Energy: 0.705604343372965
Energy: 1.1718644680272996
Energy: 0.7056687800775274
Energy: 0.762299261848575
Energy: 0.7056687800737181
Energy: 0.762299261848575
Energy: 0.7056687800718133
Energy: 0.7622992618466704
Energy: 1.270294249951479
Energy: 0.8302250726811822
Energy: 1.2702942499552887
Energy: 0.8302250726802298
Energy: 1.2702942499552887
Energy: 0.8302250726783252
Energy: 1.1553405511067738
Energy: 0.705532027965674
Energy: 1.1553405511077262
Energy: 1.03695007145464
Energy: 1.1553405511067738
Energy: 0.705532027965674
Energy: 0.7625698438818733
Energy: 1.2053708214561705
Energy: 0.762569843880921
Energy: 1.2053708214571228
Energy: 0.7625698438818733
Energy: 1.2053708214599796
Energy: 0.8259962280954539
Energy: 1.1524608990399703
Energy: 0.825996228093549
Energy: 1.1524608990409224
Energy: 0.8259962280945015
Energy: 1.1524608990399703
Energy: 1.4312477851982985
Energy: 1.1579433349439483
Energy: 0.7061403227294929
Energy: 1.1579433349458532
Energy: 1.431247785194489
Energy: 1.1579433349477581
Energy: 1.2648641021330695
Energy: 1.1553479189519815
Energy: 1.2648641021349742
Energy: 1.1546743638127708
Energy: 1.2648641021321172
Energy: 1.155347918951029
Energy: 1.1671290648942292
Energy: 1.1786455524319832
Energy: 1.1671290648951815
Energy: 1.0701191809270547
Energy: 1.1671290648942292
Energy: 1.178645552676609
Energy: 1.1570262943612009
Energy: 1.0387925427753046
Energy: 1.1570262943602918
Energy: 0.705517177165479
Energy: 1.1570262943612009
Energy: 1.0387925427772091
Energy: 0.8226959691802754
Energy: 1.2736186321006149
Energy: 0.8226959691840849
Energy: 1.2736186321006149
Energy: 0.8226959691812278
Energy: 1.2736186321034721
Energy: 0.7056043433701079
Energy: 1.1718644680225379
Energy: 0.7056043433710601
Energy: 1.1718644680234898
Energy: 0.705604343372965
Energy: 1.1718644680253947
Energy: 0.7056687800765752
Energy: 0.7622992618476229
Energy: 0.7056687800737181
Energy: 0.7622992618466704
Energy: 0.7056687800727657
Energy: 0.7622992618466704
Energy: 1.2702942499524315
Energy: 0.8302250726811822
Energy: 1.2702942499552887
Energy: 0.8302250726811822
Energy: 1.2702942499552887
Energy: 0.8302250726802298

minimum gb energy = 0.7055171771645701 eV
minimum distance =  2.38751933346909 Angstroms
sigma value = 11


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

Energy: 1.1308312330827117
Energy: 1.0684303462474425
Energy: 1.1308312330820143
Energy: 1.0684303462544185
Energy: 1.1308312330820143
Energy: 1.0684303462467446
Energy: 1.2555244716134708
Energy: 1.219595230984404
Energy: 1.2555244716141682
Energy: 1.2195952309830087
Energy: 1.2555244716134708
Energy: 1.2195952309885898
Energy: 1.4751793782925655
Energy: 1.5931831418158005
Energy: 1.4751793782925655
Energy: 1.5931831418171958
Energy: 1.4751793782911702
Energy: 1.5931831418171958
Energy: 1.5234757103384697
Energy: 1.065211233035074
Energy: 1.523475710336377
Energy: 1.0652112330343764
Energy: 1.523475710335679
Energy: 1.0652112330343764
Energy: 1.4304592201555355
Energy: 1.0324670969827028
Energy: 1.430459220157628
Energy: 1.0324670969827028
Energy: 1.4304592201555355
Energy: 1.0324670969827028
Energy: 1.0906867477825652
Energy: 1.049040828800002
Energy: 1.0906867477825652
Energy: 1.049040828794421
Energy: 1.090686747783263
Energy: 1.049040828794421
Energy: 1.0144861971366677
Energy: 1.1036212964837149
Energy: 1.014486197137365
Energy: 1.1036212964823195
Energy: 1.014486197137365
Energy: 1.1036212964830172
Energy: 1.0775438295917772
Energy: 0.9897966541986868
Energy: 1.077543829590382
Energy: 0.9897966541986868
Energy: 1.0775438295938702
Energy: 0.9897966541993843
Energy: 1.0882594547986124
Energy: 0.9964028070463661
Energy: 1.0882594548021005
Energy: 0.9964028070470637
Energy: 1.0882594548021005
Energy: 0.9964028070470637
Energy: 1.0067712700399303
Energy: 1.5150601503360221
Energy: 1.0067712700392328
Energy: 1.5150601503416035
Energy: 1.0067712700392328
Energy: 1.5150601503395105
Energy: 1.1028634738809964
Energy: 1.4189128699431188
Energy: 1.1028634738789036
Energy: 1.4189128699452116
Energy: 1.102863473881694
Energy: 1.4189128699424212
Energy: 1.2419536809647655
Energy: 1.0382114918709342
Energy: 1.2419536809647655
Energy: 1.0382114918702365
Energy: 1.2419536809682536
Energy: 1.0382114918709342
Energy: 1.473589388767222
Energy: 1.073579117301911
Energy: 1.4735893887679197
Energy: 1.073579117301911
Energy: 1.4735893887679197
Energy: 1.073579117301911
Energy: 1.478273703364609
Energy: 1.5591605504937753
Energy: 1.478273703366004
Energy: 1.5591605504888921
Energy: 1.4782737033653066
Energy: 1.5591605504902872
Energy: 1.2553918935409334
Energy: 1.0273917814876927
Energy: 1.2553918935437236
Energy: 1.0273917814876927
Energy: 1.2553918935479094
Energy: 1.027391781489088
Energy: 1.08738325706856
Energy: 1.4631768479335985
Energy: 1.0873832570678625
Energy: 1.4631768479335985
Energy: 1.0873832570664672
Energy: 1.4631768479335985
Energy: 1.186750715773371
Energy: 1.222873643277572
Energy: 1.1867507157712782
Energy: 1.2228736432782694
Energy: 1.1867507157712782
Energy: 1.222873643277572
Energy: 1.5167378169935137
Energy: 1.152751330103048
Energy: 1.5167378169970018
Energy: 1.152751330097467
Energy: 1.5167378169956065
Energy: 1.152751330043116
Energy: 1.3214195365803374
Energy: 1.0588173431541317
Energy: 1.3214195365845234
Energy: 1.0588173431534336
Energy: 1.3214195365803374
Energy: 1.0588173431541317
Energy: 1.240496693511387
Energy: 1.071176547550892
Energy: 1.2404966935072013
Energy: 1.071176547550892
Energy: 1.2404966935099917
Energy: 1.0711765475494968
Energy: 1.0103699919604436
Energy: 1.0526091289399764
Energy: 1.0103699919590483
Energy: 1.0526091289392787
Energy: 1.0103699919604436
Energy: 1.0526091289399764
Energy: 1.062253968682025
Energy: 1.1031177465479045
Energy: 1.0622539686855133
Energy: 1.103117746547207
Energy: 1.0622539686876058
Energy: 1.1031177465479045
Energy: 1.2523967282432469
Energy: 1.2579375627119689
Energy: 1.2523967282425492
Energy: 1.2579375627147595
Energy: 1.2523967282439443
Energy: 1.2579375627140619
Energy: 1.086968108450232
Energy: 1.2335222696113382
Energy: 1.0869681084537202
Energy: 1.2335222696113382
Energy: 1.0869681084363432
Energy: 1.2335222696099428
Energy: 1.0103126451437927
Energy: 1.515136239521394
Energy: 1.010312645145188
Energy: 1.5151362395311607
Energy: 1.0103126451437927
Energy: 1.5151362394398356
Energy: 2.003231668096363
Energy: 1.395111510756923
Energy: 2.0032316680970608
Energy: 1.3951115107534349
Energy: 2.003231668097758
Energy: 1.39511151075483

minimum gb energy = 0.9897966541986868 eV
minimum distance =  2.27066263991088 Angstroms
sigma value = 41


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

Energy: 1.2694268604545473
Energy: 1.151785987435695
Energy: 1.269426860455647
Energy: 1.151785987436245
Energy: 1.269426860455647
Energy: 1.151785987435695
Energy: 1.1992547813272751
Energy: 1.1266460799488367
Energy: 1.1992547813283745
Energy: 1.1266460799581843
Energy: 1.1992547813283745
Energy: 1.1266460799537854
Energy: 1.4006178549307027
Energy: 1.289120817258926
Energy: 1.4006178549290533
Energy: 1.2891208172600255
Energy: 1.4006178549290533
Energy: 1.2891208172605753
Energy: 1.1834594497826425
Energy: 1.1134828348608927
Energy: 1.1834594497815427
Energy: 1.1134828348603432
Energy: 1.1834594497820927
Energy: 1.1134828348608927
Energy: 1.1095601343739168
Energy: 1.1944154999049494
Energy: 1.1095601343733672
Energy: 1.1944154999049494
Energy: 1.1095601343739168
Energy: 1.1944154999043994
Energy: 1.177855153541535
Energy: 1.1440353285230107
Energy: 1.1778551535492328
Energy: 1.1440353285296088
Energy: 1.177855153544834
Energy: 1.1440353285241105
Energy: 1.1111999313632164
Energy: 1.6883414877088065
Energy: 1.1111999313632164
Energy: 1.688341487709906
Energy: 1.1111999313632164
Energy: 1.6883414877110057
Energy: 1.072812886054097
Energy: 1.1133930058816541
Energy: 1.0728128860557467
Energy: 1.1133930058811046
Energy: 1.072812886054647
Energy: 1.1133930058811046
Energy: 1.126418325347807
Energy: 1.1876549329836759
Energy: 1.1264183253467075
Energy: 1.1876549329842256
Energy: 1.126418325347807
Energy: 1.1876549329836759
Energy: 1.1771017055517898
Energy: 1.1989611485259044
Energy: 1.1771017055473911
Energy: 1.198961148520956
Energy: 1.1771017055528894
Energy: 1.1989611485193064
Energy: 1.1826498427806171
Energy: 1.2103467335535558
Energy: 1.1826498427800671
Energy: 1.210346733553006
Energy: 1.1826498427806171
Energy: 1.2103467335552054
Energy: 1.064384765836331
Energy: 1.1133671153090703
Energy: 1.0643847658330319
Energy: 1.1133671153123692
Energy: 1.0643847658341317
Energy: 1.1133671153112694
Energy: 1.0709033675797153
Energy: 1.1128799009243364
Energy: 1.0709033675791655
Energy: 1.1128799009243364
Energy: 1.0709033675791655
Energy: 1.1128799009243364
Energy: 1.0537732333573921
Energy: 1.201977227343886
Energy: 1.0537732333573921
Energy: 1.2019772273466354
Energy: 1.0537732333573921
Energy: 1.201977227343336
Energy: 1.1824975015186452
Energy: 1.143905464841719
Energy: 1.182497501523594
Energy: 1.143905464841719
Energy: 1.1824975015208445
Energy: 1.1439054648411693
Energy: 1.0428623084073787
Energy: 1.2018491332522026
Energy: 1.0428623084068287
Energy: 1.201849133247804
Energy: 1.0428623084073787
Energy: 1.2018491332467043
Energy: 1.083292215628851
Energy: 1.113004569532291
Energy: 1.0832922156305003
Energy: 1.113004569532291
Energy: 1.0832922156294007
Energy: 1.113004569532291
Energy: 1.1111007919820155
Energy: 1.2905155663877583
Energy: 1.1111007919814657
Energy: 1.2905155663844592
Energy: 1.1111007919787166
Energy: 1.2905155663833596
Energy: 1.2062002749129612
Energy: 1.1267720105782004
Energy: 1.2062002749129612
Energy: 1.1267720105787502
Energy: 1.2062002749124114
Energy: 1.1267720105782004
Energy: 1.1787738083844561
Energy: 1.1247234617748345
Energy: 1.1787738083833563
Energy: 1.3151650855861052
Energy: 1.1787738083833563
Energy: 1.1141544741464906
Energy: 1.0872049802681907
Energy: 1.127560209644078
Energy: 1.0872049802681907
Energy: 1.127560209640229
Energy: 1.087204980267641
Energy: 1.127560209640779
Energy: 1.1345027121006424
Energy: 1.2822327179477584
Energy: 1.1345027120995426
Energy: 1.282232717946659
Energy: 1.134502712105041
Energy: 1.2822327179455593
Energy: 1.1839329773339191
Energy: 1.1204069598677964
Energy: 1.1839329773322695
Energy: 1.1204069598672464
Energy: 1.1839329773322695
Energy: 1.1204069598677964
Energy: 1.0428219435295114
Energy: 1.170763721537616
Energy: 1.0428219435289614
Energy: 1.4058671280492456
Energy: 1.0428219435284118
Energy: 1.2165806718235153
Energy: 1.0428636647511063
Energy: 1.1445736912315352
Energy: 1.0428636647511063
Energy: 1.1445736912298858
Energy: 1.042863664751656
Energy: 1.1445736912282363
Energy: 1.1080440650203458
Energy: 1.1114546016003077
Energy: 1.108044065019796
Energy: 1.1114546016008575
Energy: 1.108044065019796
Energy: 1.1114546016008575
Energy: 1.0725739228008622
Energy: 1.1204527128213744
Energy: 1.0725739228008622
Energy: 1.1204527128219242
Energy: 1.0725739228008622
Energy: 1.1204527128219242
Energy: 1.1248868625731905
Energy: 1.206755454438928
Energy: 1.1248868625726405
Energy: 1.2067554544411276
Energy: 1.1248868625742903
Energy: 1.2067554544394776
Energy: 1.1771475736135042
Energy: 1.129823877726977
Energy: 1.1771475736135042
Energy: 1.129823877727527
Energy: 1.1771475736129544
Energy: 1.129823877727527
Energy: 1.2756514371362915
Energy: 1.0446276489114343
Energy: 1.2756514371362915
Energy: 1.0446276489114343
Energy: 1.275651437136841
Energy: 1.0446276489114343
Energy: 1.0649759645190422
Energy: 1.1134962484301367
Energy: 1.0649759645184922
Energy: 1.1134962484301367
Energy: 1.0649759645184922
Energy: 1.1134962484323359
Energy: 1.1301472486120956
Energy: 1.1738918687221107
Energy: 1.1301472486131952
Energy: 1.173891868721561
Energy: 1.1301472486126451
Energy: 1.1738918687221107
Energy: 1.0427342576585024
Energy: 1.1336089114038825
Energy: 1.0427342576590521
Energy: 1.1336089114000585
Energy: 1.0427342576585024
Energy: 1.1336089114071817

minimum gb energy = 1.0427342576585024 eV
minimum distance =  2.33296296870617 Angstroms
sigma value = 33


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

Energy: 1.335718390799447
Energy: 1.2172312986294855
Energy: 1.3357183908002188
Energy: 1.2172312986310292
Energy: 1.3357183908013412
Energy: 1.2172312986306082
Energy: 1.330500167069566
Energy: 1.0992746065068175
Energy: 1.3305001670876675
Energy: 1.0992746065079402
Energy: 1.330500167076512
Energy: 1.0992746065075893
Energy: 1.262980390798513
Energy: 1.329957029438392
Energy: 1.2629803908008284
Energy: 1.3299570294372693
Energy: 1.2629803907741672
Energy: 1.329957029438392
Energy: 1.1825830699001851
Energy: 1.1814401970987671
Energy: 1.1825830699025004
Energy: 1.1814401970979953
Energy: 1.1825830699017288
Energy: 1.1814401970976445
Energy: 1.2231590245610886
Energy: 1.254615805331055
Energy: 1.2231590245591242
Energy: 1.2546158053333702
Energy: 1.2231590245598958
Energy: 1.2546158053337915
Energy: 1.2186916505529406
Energy: 1.1768973065734356
Energy: 1.218691650554484
Energy: 1.176897306574558
Energy: 1.2186916505552559
Energy: 1.1768973065737862
Energy: 1.181854089553166
Energy: 1.4931912993391445
Energy: 1.1818540895547096
Energy: 1.4931912993406882
Energy: 1.1818540895523941
Energy: 1.4931912993391445
Energy: 1.2084687267415368
Energy: 1.2183772221284264
Energy: 1.2084687267411158
Energy: 1.2183772221288474
Energy: 1.2084687267418877
Energy: 1.2183772221303908
Energy: 1.3397455737829873
Energy: 1.2141085680371517
Energy: 1.3397455737814437
Energy: 1.2141085680371517
Energy: 1.3397455737822155
Energy: 1.2141085680371517
Energy: 1.3191892238419554
Energy: 1.1317589309081355
Energy: 1.3191892238439198
Energy: 1.1317589309085563
Energy: 1.3191892237934038
Energy: 1.1317589309081355
Energy: 1.2578677355474628
Energy: 1.2210267453506662
Energy: 1.257867735546691
Energy: 1.221026745351438
Energy: 1.2578677355471117
Energy: 1.2210267453510872
Energy: 1.1889738448801885
Energy: 1.1493136071778713
Energy: 1.1889738448836968
Energy: 1.1493136071782923
Energy: 1.1889738448844684
Energy: 1.1493136071782923
Energy: 1.2267107306711946
Energy: 1.427653874189609
Energy: 1.2267107306696512
Energy: 1.4276538741888372
Energy: 1.2267107306688796
Energy: 1.4276538741908016
Energy: 1.2183528290764873
Energy: 1.2510898372671293
Energy: 1.2183528290764873
Energy: 1.2510898372671293
Energy: 1.2183528290772592
Energy: 1.2510898372671293
Energy: 1.2376343493426596
Energy: 1.1398508293870098
Energy: 1.2376343493426596
Energy: 1.1398508293874305
Energy: 1.2376343493449045
Energy: 1.1398508293874305
Energy: 1.1471180351249883
Energy: 1.3139323975401629
Energy: 1.1471180351253392
Energy: 1.3139323975382688
Energy: 1.147118035126111
Energy: 1.3139323975428994
Energy: 1.2339043701427086
Energy: 1.1518995119065507
Energy: 1.2339043701434804
Energy: 1.1518995119061999
Energy: 1.233904370141165
Energy: 1.1518995119057789
Energy: 1.171385157266381
Energy: 1.3701507033687097
Energy: 1.17138515726603
Energy: 1.3701507033682887
Energy: 1.17138515726603
Energy: 1.3701507033687097
Energy: 1.3361667782909517
Energy: 1.3326718495648202
Energy: 1.336166778289408
Energy: 1.3326718495648202
Energy: 1.3361667782886362
Energy: 1.3326718495663636
Energy: 1.19818822245983
Energy: 1.1753972824759629
Energy: 1.1981882224602507
Energy: 1.1753972824751913
Energy: 1.1981882224606015
Energy: 1.1753972824767347
Energy: 1.140656023499507
Energy: 1.232092979852653
Energy: 1.1406560234956482
Energy: 1.2320929798522318
Energy: 1.1406560234968408
Energy: 1.2320929798534248
Energy: 1.1260286488648235
Energy: 1.3326267090347523
Energy: 1.1260286488640516
Energy: 1.3326267090405055
Energy: 1.1260286488651743
Energy: 1.3326267090339805
Energy: 1.2374510738754636
Energy: 1.236121188161898
Energy: 1.2374510738789015
Energy: 1.23612118816267
Energy: 1.2374510738723765
Energy: 1.2361211881615473
Energy: 1.1504559235549825
Energy: 1.2381540025197972
Energy: 1.1504559235546319
Energy: 1.238154002521341
Energy: 1.1504559235538598
Energy: 1.2381540025190256
Energy: 1.3191773436456977
Energy: 1.1516547197393565
Energy: 1.3191773436438032
Energy: 1.151654719738164
Energy: 1.319177343641488
Energy: 1.1516547197416718
Energy: 1.1680452684761462
Energy: 1.217882048541707
Energy: 1.1680452684753744
Energy: 1.217882048541707
Energy: 1.1680452684768476
Energy: 1.2178820485413562
Energy: 1.2845606868971955
Energy: 1.190104323597309
Energy: 1.2845606868991601
Energy: 1.190104323597309
Energy: 1.2845606868979673
Energy: 1.190104323596888
Energy: 1.2656404242311885
Energy: 1.1526401175647891
Energy: 1.2656404242300658
Energy: 1.1526401175640173
Energy: 1.2656404242308377
Energy: 1.1526401175647891
Energy: 1.1653972145017764
Energy: 1.3354459208188203
Energy: 1.1653972145014255
Energy: 1.3354459208207847
Energy: 1.165397214502969
Energy: 1.3354459208203637
Energy: 1.1320184430535882
Energy: 1.319311091463551
Energy: 1.1320184430535882
Energy: 1.3193110914658663
Energy: 1.1320184430574474
Energy: 1.3193110914662172
Energy: 1.1790648000330388
Energy: 1.1630902569116361
Energy: 1.179064800036898
Energy: 1.1630902569116361
Energy: 1.179064800036898
Energy: 1.1630902569116361
Energy: 1.1502149406299587
Energy: 1.488846537662601
Energy: 1.150214940628766
Energy: 1.488846537596299
Energy: 1.1502149406307305
Energy: 1.4888465376576194
Energy: 1.312095975474654
Energy: 1.1526564627336326
Energy: 1.312095975477741
Energy: 1.152656462736299
Energy: 1.3120959754754258
Energy: 1.1526564627370706
Energy: 1.2507971780391178
Energy: 1.246733522755814
Energy: 1.2507971780391178
Energy: 1.2467335227550425
Energy: 1.2507971780402403
Energy: 1.246733522755814
Energy: 1.2209214439000702
Energy: 1.2470066136473246
Energy: 1.2209214439027365
Energy: 1.2470066136465527
Energy: 1.2209214439023857
Energy: 1.2470066136465527
Energy: 1.198248986236274
Energy: 1.14770703048335
Energy: 1.1982489862350814
Energy: 1.1477070304845427
Energy: 1.1982489862339587
Energy: 1.1477070304829993
Energy: 1.1507700913637728
Energy: 1.4423766708719052
Energy: 1.150770091363001
Energy: 1.4423766708746415
Energy: 1.1507700913626502
Energy: 1.4423766708661518
Energy: 1.2122599609254259
Energy: 1.1630744737815981
Energy: 1.2122599609227598
Energy: 1.1630744737811771
Energy: 1.2122599609235316
Energy: 1.1630744737815981
Energy: 1.1185280762817418
Energy: 1.319012497280848
Energy: 1.1185280762798473
Energy: 1.3190124972797252
Energy: 1.1185280762790757
Energy: 1.319012497281269
Energy: 1.1765423495461012
Energy: 1.2338955877837883
Energy: 1.1765423495487675
Energy: 1.2338955877837883
Energy: 1.1765423495476448
Energy: 1.233895587781473
Energy: 1.2321319930097006
Energy: 1.1415358433985012
Energy: 1.232131993008157
Energy: 1.1415358433989222
Energy: 1.2321319930104722
Energy: 1.1415358433989222
Energy: 1.3138330142787817
Energy: 1.1528533983039704
Energy: 1.3138330142787817
Energy: 1.1528533983047422
Energy: 1.313833014277238
Energy: 1.1528533983043914
Energy: 1.1644069140095095
Energy: 1.217899020050146
Energy: 1.1644069140114037
Energy: 1.2178990200490236
Energy: 1.1644069140106321
Energy: 1.2178990200416568
Energy: 1.2434194771433418
Energy: 1.1505972647649143
Energy: 1.2434194771375886
Energy: 1.1505972647676506
Energy: 1.2434194771445346
Energy: 1.1505972647672296
Energy: 1.1508540889217556
Energy: 1.2312622218434859
Energy: 1.1508540889237202
Energy: 1.2312622218411704
Energy: 1.1508540889217556
Energy: 1.231262221842714
Energy: 1.2372132815245651
Energy: 1.2360448902541519
Energy: 1.2372132815268806
Energy: 1.2360448902538008
Energy: 1.2372132815261088
Energy: 1.2360448902545726
Energy: 1.126342404006869
Energy: 1.284053957079699
Energy: 1.1263424040057464
Energy: 1.28405395708012
Energy: 1.126342404006869
Energy: 1.28405395708012

minimum gb energy = 1.0992746065068175 eV
minimum distance =  2.32968873515738 Angstroms
sigma value = 67


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

Energy: 1.405922061825119
Energy: 1.244323356924858
Energy: 1.4059220618253825
Energy: 1.2443233569253562
Energy: 1.4059220618264083
Energy: 1.244323356924858
Energy: 1.30563425822613
Energy: 1.119601207968208
Energy: 1.3056342582240785
Energy: 1.1196012079679734
Energy: 1.305634258226892
Energy: 1.1196012079694972
Energy: 1.2836391177183124
Energy: 1.48477545585205
Energy: 1.2836391177201
Energy: 1.484775455851552
Energy: 1.2836391177162316
Energy: 1.4847754558517865
Energy: 1.30563383400985
Energy: 1.1193312337792376
Energy: 1.305633834011403
Energy: 1.119331233776131
Energy: 1.305633834013982
Energy: 1.119331233777948
Energy: 1.4059220618256463
Energy: 1.2443233569258836
Energy: 1.4059220618240929
Energy: 1.2443233569266456
Energy: 1.405922061824855
Energy: 1.2443233569263819
Energy: 1.3056342582263938
Energy: 1.1196012079713145
Energy: 1.3056342582281815
Energy: 1.119601207971842
Energy: 1.3056342582256024
Energy: 1.1196012079710507
Energy: 1.2836391177159971
Energy: 1.4847754558512882
Energy: 1.2836391177164954
Energy: 1.4847754558510244
Energy: 1.2836391177167594
Energy: 1.4847754558510244

minimum gb energy = 1.119331233776131 eV
minimum distance =  2.337327952254 Angstroms
sigma value = 3


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

Energy: 1.7043434989455655
Energy: 1.5748814702128564
Energy: 1.6006365988327806
Energy: 1.5748814702198757
Energy: 1.7043434989420558
Energy: 1.5748814702198757
Energy: 1.5616418422495266
Energy: 1.358996956686718
Energy: 1.5616418422495266
Energy: 1.358996956686718
Energy: 1.5616418422425071
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Energy: 1.3788742371634413
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Energy: 1.3658049968571087
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Energy: 1.5186605000672369
Energy: 1.459484654671621
Energy: 1.4836630129381099
Energy: 1.4628303970124008
Energy: 1.4836630129486386
Energy: 1.4581279005395766
Energy: 1.4836630129486386
Energy: 1.4501200835257428
Energy: 1.4515496226479598
Energy: 1.4501776204719081
Energy: 1.4515477392708096
Energy: 1.4501200835222332
Energy: 1.4518926717544327
Energy: 1.6274121658126284
Energy: 1.358932095791677
Energy: 1.6274121658161378
Energy: 1.3589320958022055
Energy: 1.6274121658231568
Energy: 1.3589320958022055
Energy: 1.4171137805669554
Energy: 1.367269503865395
Energy: 1.4167864976242788
Energy: 1.367269503865395
Energy: 1.4167763945680851
Energy: 1.367269503865395
Energy: 1.4262429315030705
Energy: 1.4023570578652722
Energy: 1.4264423392654257
Energy: 1.4023570578687818
Energy: 1.4263875482530506
Energy: 1.4023570578722913
Energy: 1.4333050768977038
Energy: 1.5198015517180539
Energy: 1.4333050768977038
Energy: 1.5198015517215635
Energy: 1.4333050768941942
Energy: 1.5198015517215635
Energy: 1.6369146302680544
Energy: 1.328805134706436
Energy: 1.6369146302715643
Energy: 1.328805134699417
Energy: 1.6369146302680544
Energy: 1.3288051347029264
Energy: 1.5768100572946337
Energy: 1.3674032715456808
Energy: 1.5764713044170449
Energy: 1.3674032715491906
Energy: 1.5768099274631828
Energy: 1.3674032715456808
Energy: 1.4309566539637537
Energy: 1.452869398254657
Energy: 1.4301913584606925
Energy: 1.4528671667284887
Energy: 1.4313612635360304
Energy: 1.452863247109119
Energy: 1.4498779596388227
Energy: 1.3861925247015006
Energy: 1.4498779596318037
Energy: 1.3859095851441523
Energy: 1.449877959635313
Energy: 1.3841213574182525
Energy: 1.5427663242799445
Energy: 1.4656651088471562
Energy: 1.542766324283454
Energy: 1.4656651088436468
Energy: 1.5427663242799445
Energy: 1.4656651088471562
Energy: 1.4907318973602541
Energy: 1.4690294173649765
Energy: 1.4070581204992965
Energy: 1.4690294173754412
Energy: 1.4064429293409921
Energy: 1.4690294173754412

minimum gb energy = 1.270230996700078 eV
minimum distance =  2.26082877319826 Angstroms
sigma value = 81


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

Energy: 1.645451353462146
Energy: 1.5957665840043953
Energy: 1.496087630989293
Energy: 1.5957665840039137
Energy: 1.645451353462146
Energy: 1.5957665840043953
Energy: 1.586292234456736
Energy: 1.5613096868252434
Energy: 1.5862922344601076
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Energy: 1.586292234459626
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Energy: 1.537762982736405
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Energy: 1.5376530761555562
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Energy: 1.2959372463504744
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Energy: 1.578945424213304
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Energy: 1.4821131054219174
Energy: 1.300174278645394
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Energy: 1.3001742786449124
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Energy: 1.300091320831309
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Energy: 1.5548722838535893
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Energy: 1.4592865467187144
Energy: 1.6025042126108546
Energy: 1.459286546720641
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Energy: 1.4592865467225677
Energy: 1.6195239638067096
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Energy: 1.6195239638081547
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Energy: 1.4475770756338522
Energy: 1.6102390851589514
Energy: 1.4475770756333703
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Energy: 1.511339885628158
Energy: 1.3661399724505447
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Energy: 1.3690104832288539
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Energy: 1.5840981723464094
Energy: 1.6836905481037727
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Energy: 1.282934848071308
Energy: 1.491878186224363
Energy: 1.2829780067195828
Energy: 1.4915680057321494
Energy: 1.5543328181378204
Energy: 1.7413690567602889
Energy: 1.5543328181383023
Energy: 1.5415056966999756
Energy: 1.5543328181368572
Energy: 1.5418614741861616
Energy: 1.391124333144429
Energy: 1.4659362467933998
Energy: 1.391124333145874
Energy: 1.4659362467933998
Energy: 1.3911243331449106
Energy: 1.4659362467977348
Energy: 1.4728721479746254
Energy: 1.2982389953518378
Energy: 1.472871548007262
Energy: 1.2982389953523197
Energy: 1.4728700501668373
Energy: 1.2982389953508744
Energy: 1.6006191060285875
Energy: 1.6219657114720445
Energy: 1.6003873719392294
Energy: 1.6219657114734896
Energy: 1.600619106029069
Energy: 1.6219657114701176
Energy: 1.2981429950716343
Energy: 1.4212619915483968
Energy: 1.2981429950701893
Energy: 1.4212619915488787
Energy: 1.298142995072116
Energy: 1.4212619915488787
Energy: 1.5777343629960368
Energy: 1.5519016972643176
Energy: 1.5777343629926648
Energy: 1.551901697263836
Energy: 1.5777343629854395
Energy: 1.5519016972619093
Energy: 1.4572577298988283
Energy: 1.6087463139563187
Energy: 1.4572577299017186
Energy: 1.6087463139572824
Energy: 1.4572577298993101
Energy: 1.6087463139577642
Energy: 1.6027484853017129
Energy: 1.505340157034498
Energy: 1.602881443529684
Energy: 1.50534015703787
Energy: 1.602748485302676
Energy: 1.505340157021011
Energy: 1.6010210715967501
Energy: 1.4436181583356407
Energy: 1.600934943232912
Energy: 1.4436181583380054
Energy: 1.6010210715957867
Energy: 1.443618158337042
Energy: 1.5769953855234429
Energy: 1.8119507057841997
Energy: 1.5770201823613486
Energy: 1.8119507057841997
Energy: 1.5769953829148626
Energy: 1.8119507057866082
Energy: 1.260389951641903
Energy: 1.5758392537215271
Energy: 1.262686421890289
Energy: 1.5757957045987914
Energy: 1.2597790106516817
Energy: 1.401087131634231
Energy: 1.6008363599229538
Energy: 1.45945721466595
Energy: 1.6008363599243987
Energy: 1.4594572146678768
Energy: 1.6008363599229538
Energy: 1.4594572146645048
Energy: 1.5093385529330154
Energy: 1.29590198173099
Energy: 1.5093385529330154
Energy: 1.2959019817300266
Energy: 1.5093385529330154
Energy: 1.2959019817382151

minimum gb energy = 1.2532069675940203 eV
minimum distance =  2.34589710849087 Angstroms
sigma value = 43


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

Energy: 1.7646760257258822
Energy: 1.5734049115678082
Energy: 1.764676025727657
Energy: 1.5734049115678082
Energy: 1.7646760257264738
Energy: 1.5734049115678082
Energy: 1.5446679417577927
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Energy: 1.5446679417583844
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Energy: 1.5446679417572011
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Energy: 1.368070651021043
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Energy: 1.3672971426638891
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Energy: 1.276014038287024
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Energy: 1.275813300690198
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Energy: 1.3567713913291481
Energy: 1.4217750462305314
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Energy: 1.3228533968253822
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Energy: 1.496936551337995
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Energy: 1.2719431768385419
Energy: 1.6613423688592341
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Energy: 1.4366302367358095
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Energy: 1.4366302367304848
Energy: 1.4350141606606737
Energy: 1.4366302367346262
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Energy: 1.3624744107618232
Energy: 1.2981435655215587
Energy: 1.3599980735774309
Energy: 1.2985215872305198
Energy: 1.3600781689081336
Energy: 1.298353853364164
Energy: 1.3643786036551124
Energy: 1.3260036178093237
Energy: 1.3656853309626145
Energy: 1.3260036178028154
Energy: 1.3656831302479426
Energy: 1.3260036178075487
Energy: 1.495293879760786
Energy: 1.464768375367223
Energy: 1.4952938797637443
Energy: 1.4647683753678145
Energy: 1.4952938797424444
Energy: 1.464768375367223
Energy: 1.5948776588949891
Energy: 1.4281048275320367
Energy: 1.5948776588949891
Energy: 1.4281048275320367
Energy: 1.5948776588938056
Energy: 1.4281048275314718
Energy: 1.3671675732224082
Energy: 1.3261030388311796
Energy: 1.3682716973502953
Energy: 1.3261030388400274
Energy: 1.3685108068275336
Energy: 1.3261030388358859
Energy: 1.3622500819888952
Energy: 1.3969848808897585
Energy: 1.3600793718614557
Energy: 1.3969848808903502
Energy: 1.360284354330607
Energy: 1.396984880889167
Energy: 1.5039519962644938
Energy: 1.2763061107470426
Energy: 1.503951996265677
Energy: 1.2626540003590063
Energy: 1.5039519962757355
Energy: 1.2626213709223242
Energy: 1.2646814189098443
Energy: 1.4483081975415841
Energy: 1.2646814189122109
Energy: 1.4483081975309342
Energy: 1.2646814189098443
Energy: 1.448308197527976
Energy: 1.4884012058624774
Energy: 1.4366463942183088
Energy: 1.4879167811435563
Energy: 1.4366463942165337
Energy: 1.4884914886435456
Energy: 1.4366463942165337
Energy: 1.412941282271299
Energy: 1.4254143743687708
Energy: 1.4129412822724825
Energy: 1.4254143743687708
Energy: 1.412941282271299
Energy: 1.4254143743693624
Energy: 1.504279819615599
Energy: 1.4745539723067045
Energy: 1.504279819615599
Energy: 1.4745539723084795
Energy: 1.5042798196150076
Energy: 1.4745539723078878
Energy: 1.4023527579298372
Energy: 1.3308651388339185
Energy: 1.4023521761222328
Energy: 1.3308651388291852
Energy: 1.4021452172290496
Energy: 1.3308651388327353
Energy: 1.4154691375851638
Energy: 1.2955411926671572
Energy: 1.4165862318341451
Energy: 1.295541192667749
Energy: 1.417021743809631
Energy: 1.2955411926683402
Energy: 1.4129837342648608
Energy: 1.2964925118430342
Energy: 1.412983734264269
Energy: 1.2970863045261833
Energy: 1.4129837342648608
Energy: 1.2973538524088226
Energy: 1.5259584773890382
Energy: 1.5539541220862998
Energy: 1.5259584773890382
Energy: 1.5539541220862998
Energy: 1.5259584773896298
Energy: 1.5539541220862998
Energy: 1.4206174267788503
Energy: 1.4376112234328782
Energy: 1.352357359014481
Energy: 1.4376112234376115
Energy: 1.353149900957871
Energy: 1.4376112234322866

minimum gb energy = 1.2626213709223242 eV
minimum distance =  2.33045716116688 Angstroms
sigma value = 57


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

Energy: 1.6693035618060625
Energy: 1.4088476491374833
Energy: 1.6693035618060625
Energy: 1.4088476491382491
Energy: 1.6693035618068286
Energy: 1.4088476491382491
Energy: 1.4360835048690497
Energy: 1.2549167699034904
Energy: 1.4360835048667513
Energy: 1.2549167699042563
Energy: 1.4360835048682836
Energy: 1.2549167699034904
Energy: 1.5004707828574493
Energy: 1.6451328085593353
Energy: 1.5004707828582153
Energy: 1.6451328085601011
Energy: 1.500470782856683
Energy: 1.6451328085593353
Energy: 1.4554892239574806
Energy: 1.2417622858572992
Energy: 1.455489223952884
Energy: 1.2373660111846823
Energy: 1.4554892239544162
Energy: 1.2371520983674253
Energy: 1.443143476867089
Energy: 1.2302872785987817
Energy: 1.443143476866323
Energy: 1.2299645765085434
Energy: 1.443143476867089
Energy: 1.2299331866954883
Energy: 1.3958438317965487
Energy: 1.4782737209006764
Energy: 1.3958429504515268
Energy: 1.4782737209006764
Energy: 1.3958397595027359
Energy: 1.4782737209006764
Energy: 1.4672537074371996
Energy: 1.4832832763673436
Energy: 1.4672537074356673
Energy: 1.4832832763673436
Energy: 1.4672537074356673
Energy: 1.4832832763642794
Energy: 1.4558827475402893
Energy: 1.4253293233603568
Energy: 1.4558827475387572
Energy: 1.4253293233603568
Energy: 1.4558827475395233
Energy: 1.4253293233603568
Energy: 1.4506347103012232
Energy: 1.256199051779808
Energy: 1.4506347103042876
Energy: 1.2561990517790422
Energy: 1.4506347103035215
Energy: 1.2561990517821062
Energy: 1.1503686063126808
Energy: 1.478051756909416
Energy: 1.150368606314213
Energy: 1.478051756910182
Energy: 1.1503686063157452
Energy: 1.478051756909416
Energy: 1.4668941643130815
Energy: 1.2413398527913433
Energy: 1.4668941643130815
Energy: 1.2410090830745075
Energy: 1.4668941643130815
Energy: 1.2412186605117892
Energy: 1.6180061874691323
Energy: 1.2494468699417791
Energy: 1.6180061874683664
Energy: 1.2519957833954238
Energy: 1.6180061874683664
Energy: 1.2526123349532037
Energy: 1.1373673333421157
Energy: 1.2561251534920062
Energy: 1.1378922966832494
Energy: 1.256125153490474
Energy: 1.138036521143645
Energy: 1.2561251534912403
Energy: 1.4730182548029773
Energy: 1.249626334494715
Energy: 1.4730182548091058
Energy: 1.2496263344694345
Energy: 1.4730182548160007
Energy: 1.2496263344977792
Energy: 1.3133040507044642
Energy: 1.2503781028507002
Energy: 1.3133040507082947
Energy: 1.2503781028591268
Energy: 1.3133040507082947
Energy: 1.2503781028560625
Energy: 1.616970865954541
Energy: 1.4618915404718311
Energy: 1.6169708659568391
Energy: 1.4618915404718311
Energy: 1.6169708659553073
Energy: 1.461891540470299
Energy: 1.1520068480556829
Energy: 1.4351730941502223
Energy: 1.1520068480533843
Energy: 1.4351730941463918
Energy: 1.1520068480533843
Energy: 1.4351730941463918
Energy: 1.4651241379825792
Energy: 1.1149477766832452
Energy: 1.4651241379810471
Energy: 1.1150826919615398
Energy: 1.4651241379825792
Energy: 1.1148895686543454
Energy: 1.1523834138258038
Energy: 1.4354307512310236
Energy: 1.1523834138273361
Energy: 1.4354307512287254
Energy: 1.1523834138250375
Energy: 1.4354307512264273
Energy: 1.6171346493662013
Energy: 1.4661091901319825
Energy: 1.6171346493669676
Energy: 1.4661091901350118
Energy: 1.6171346493654353
Energy: 1.4661091901334795
Energy: 1.3144285227748969
Energy: 1.251054467388952
Energy: 1.3144285227703003
Energy: 1.2510544673851216
Energy: 1.3144285227710664
Energy: 1.251054467388952
Energy: 1.4736041252162602
Energy: 1.3551913246912006
Energy: 1.4736041252292835
Energy: 1.3551913246912006
Energy: 1.4736041252200907
Energy: 1.3551913246912006
Energy: 1.1382333777082638
Energy: 1.2553531666174835
Energy: 1.1371990422966816
Energy: 1.2553531666151854
Energy: 1.1381451483976712
Energy: 1.2553531666167177
Energy: 1.6178753614281247
Energy: 1.249916380199734
Energy: 1.6178753614273589
Energy: 1.2519467115290985
Energy: 1.6178753614273589
Energy: 1.2552008667911743

minimum gb energy = 1.1148895686543454 eV
minimum distance =  2.35264023309776 Angstroms
sigma value = 17


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

Energy: 1.3178378767054335
Energy: 1.4306219325747114
Energy: 1.3178378767043502
Energy: 1.4306219325747114
Energy: 1.3178378767032668
Energy: 1.4306219325747114
Energy: 1.265680027655635
Energy: 1.2487463751797705
Energy: 1.2656800276545517
Energy: 1.2487463751776038
Energy: 1.265680027655635
Energy: 1.2487463751808046
Energy: 1.4569830641034471
Energy: 1.5220142821468698
Energy: 1.4569830641045305
Energy: 1.522014282144703
Energy: 1.4569830641034471
Energy: 1.5220142821468698
Energy: 1.1309909236211573
Energy: 1.242057312732908
Energy: 1.1309909236189906
Energy: 1.242111596373903
Energy: 1.1309909236189906
Energy: 1.2414509008309393
Energy: 1.1281821589309018
Energy: 1.5215189206176787
Energy: 1.17024731907908
Energy: 1.5215189206133453
Energy: 1.1709592005261282
Energy: 1.5215189206133453
Energy: 1.1063796231710499
Energy: 1.4979531276940654
Energy: 1.123530218742366
Energy: 1.4979531276940654
Energy: 1.1273419540068144
Energy: 1.4979531276940654
Energy: 1.3584438653679112
Energy: 1.286981508194949
Energy: 1.3584438653679112
Energy: 1.286981508194949
Energy: 1.3584438653689948
Energy: 1.286981508194949
Energy: 1.1308799064413342
Energy: 1.3793809256889653
Energy: 1.1308799064413342
Energy: 1.3793809256867984
Energy: 1.1308799064413342
Energy: 1.3793809256900487
Energy: 1.2785121461552749
Energy: 1.3411886991449558
Energy: 1.1002687602835315
Energy: 1.341188699146039
Energy: 1.1199900747619262
Energy: 1.3411886991449558
Energy: 1.339992358109388
Energy: 1.361297948419558
Energy: 1.339992358109388
Energy: 1.361297948419558
Energy: 1.339992358109388
Energy: 1.361297948419558
Energy: 1.316631406424561
Energy: 1.2309624434687905
Energy: 1.3166314064213107
Energy: 1.2309624434644568
Energy: 1.316631406424561
Energy: 1.2309624434666238
Energy: 1.2763848049904332
Energy: 1.2478070689947764
Energy: 1.2763848049926
Energy: 1.2478070689947764
Energy: 1.2763848049926
Energy: 1.24780706899586
Energy: 1.1332747346637984
Energy: 1.378972259693807
Energy: 1.1332747346648817
Energy: 1.378972259693807
Energy: 1.1332747346637984
Energy: 1.3789722596927234
Energy: 1.3387911688054006
Energy: 1.2724186267075914
Energy: 1.338791168806484
Energy: 1.272418626565716
Energy: 1.3387911688054006
Energy: 1.2724186262072599
Energy: 1.2414922230012961
Energy: 1.173533743490273
Energy: 1.241463710954658
Energy: 1.1735337434881064
Energy: 1.2413315685557458
Energy: 1.1735337434891895
Energy: 1.1305939213841614
Energy: 1.3783455555858806
Energy: 1.1309396684918323
Energy: 1.3783455555858806
Energy: 1.131099662809307
Energy: 1.3783455555858806
Energy: 1.3381466102855633
Energy: 1.3961167978652542
Energy: 1.3381466102833965
Energy: 1.3961167978641709
Energy: 1.3381466102833965
Energy: 1.3961167978641709

minimum gb energy = 1.1002687602835315 eV
minimum distance =  2.28086899638807 Angstroms
sigma value = 17


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

Energy: 1.1943388098361507
Energy: 1.2477764875861836
Energy: 1.1943388098353138
Energy: 1.24777648758451
Energy: 1.1943388098374057
Energy: 1.247776487585347
Energy: 1.1949410141129213
Energy: 1.228259057724664
Energy: 1.1949410141133394
Energy: 1.2282590577238273
Energy: 1.1949410141129213
Energy: 1.2282590577238273
Energy: 1.2601538191588053
Energy: 1.3098071486706027
Energy: 1.260153046142
Energy: 1.3098071486710208
Energy: 1.2601510282583017
Energy: 1.3098071486706027
Energy: 1.0831091364049512
Energy: 1.3664077319628498
Energy: 1.0831091364028593
Energy: 1.366407731966615
Energy: 1.0831091363995125
Energy: 1.3664077319591226
Energy: 1.226889885971424
Energy: 1.2002109608499145
Energy: 1.2268898859659851
Energy: 1.2002109608474043
Energy: 1.226889885973934
Energy: 1.200210960850751
Energy: 1.024041303887887
Energy: 1.2447741120395748
Energy: 1.0253330059460137
Energy: 1.244774112039993
Energy: 1.0266480316521964
Energy: 1.244774112039993
Energy: 1.1850446537792396
Energy: 1.2790344183247353
Energy: 1.1850446537892805
Energy: 1.2790344183126026
Energy: 1.185044653833171
Energy: 1.2790344183192963
Energy: 1.2799748607034744
Energy: 1.2849995645600616
Energy: 1.2799748607076582
Energy: 1.2849995645613164
Energy: 1.2799748607038928
Energy: 1.2849995645575512
Energy: 1.3082873814382268
Energy: 1.311820416958175
Energy: 1.3082873814390634
Energy: 1.3118204169585934
Energy: 1.3082873814369715
Energy: 1.3118204169590117
Energy: 1.1841243979994736
Energy: 1.1504779615974658
Energy: 1.1841243979973817
Energy: 1.1504779615970475
Energy: 1.1841243979957083
Energy: 1.1504779615974658
Energy: 1.0837876923204695
Energy: 1.2507806440881424
Energy: 1.0837876923171224
Energy: 1.2507806440939995
Energy: 1.0837876923660714
Energy: 1.250780644088979
Energy: 1.4224314819385293
Energy: 1.2577200324911548
Energy: 1.422431481939366
Energy: 1.2577200324903182
Energy: 1.4224314819410395
Energy: 1.2577200324903182
Energy: 1.2864055684087066
Energy: 1.1878197970440658
Energy: 1.2864055684112168
Energy: 1.187819797059964
Energy: 1.28640556840787
Energy: 1.1878197970110527
Energy: 1.2862331196567083
Energy: 1.2499749345240998
Energy: 1.2862331196567083
Energy: 1.2499749345257734
Energy: 1.2862331196567083
Energy: 1.2499749345236812
Energy: 1.2053806707561012
Energy: 1.2549223818207054
Energy: 1.2053806707326724
Energy: 1.2549223818211237
Energy: 1.2053806706858534
Energy: 1.2549223818207054
Energy: 1.1897487667724946
Energy: 1.2762800815543163
Energy: 1.1897487667733315
Energy: 1.2762800815559898
Energy: 1.1897487667699844
Energy: 1.2762800815568265
Energy: 1.2865443412747022
Energy: 1.3415948322142415
Energy: 1.2865443412763757
Energy: 1.3415948322142415
Energy: 1.2865443412751205
Energy: 1.3415948322146598
Energy: 1.3702002853160637
Energy: 1.3097943565880774
Energy: 1.370200285315227
Energy: 1.3097943565901695
Energy: 1.370200285318574
Energy: 1.3097943565834755
Energy: 1.3177010230245434
Energy: 1.2713649951434516
Energy: 1.3177010230253803
Energy: 1.271364995140523
Energy: 1.3177010230191049
Energy: 1.2713649951421968
Energy: 1.2858114050792115
Energy: 1.275348020905515
Energy: 1.2858114050829768
Energy: 1.275348020905515
Energy: 1.2858114050796299
Energy: 1.2753480209063517
Energy: 1.3174190874549616
Energy: 1.271827858258291
Energy: 1.3174190874470129
Energy: 1.2718278582511788
Energy: 1.3174190874557983
Energy: 1.2718278582666585
Energy: 1.3702421190631766
Energy: 1.3096834504963708
Energy: 1.3702421190573193
Energy: 1.309683450498881
Energy: 1.3702421190594112
Energy: 1.3096834504972075
Energy: 1.2867679215195436
Energy: 1.3415012941933278
Energy: 1.2867679215195436
Energy: 1.3415012941933278
Energy: 1.286767921518707
Energy: 1.3415012941937459
Energy: 1.1895432441744227
Energy: 1.339190381904634
Energy: 1.1895432441777696
Energy: 1.3391903819050524
Energy: 1.1895432441752594
Energy: 1.339190381903379
Energy: 1.2053739403065313
Energy: 1.1737538982908986
Energy: 1.2053739403312151
Energy: 1.1737538982758373
Energy: 1.2053739402847765
Energy: 1.1737538982850415
Energy: 1.286141907592939
Energy: 1.2497109345635056
Energy: 1.2861419075916838
Energy: 1.249710934562669
Energy: 1.2861419075937757
Energy: 1.2497109345643422
Energy: 1.2863734286286994
Energy: 1.2247214833648947
Energy: 1.2863734286266075
Energy: 1.2247214833669866
Energy: 1.2863734286286994
Energy: 1.2247214833665683
Energy: 1.4223580326768905
Energy: 1.2581575108742844
Energy: 1.4223580326781455
Energy: 1.258157510873866
Energy: 1.4223580326756353
Energy: 1.258157510875121
Energy: 1.0838191748612935
Energy: 1.2506934842732012
Energy: 1.083819174866314
Energy: 1.2506934842581399
Energy: 1.0838191748508343
Energy: 1.2506934842736195
Energy: 1.1841834708184806
Energy: 1.3174809256814255
Energy: 1.184183470816389
Energy: 1.3174809256805886
Energy: 1.184183470816807
Energy: 1.3174809256797517
Energy: 1.308040146314587
Energy: 1.3117392144973832
Energy: 1.3080401463154236
Energy: 1.3117392144978017
Energy: 1.308040146314587
Energy: 1.31173921449822
Energy: 1.2796165893262417
Energy: 1.2313647140151407
Energy: 1.2796165893254048
Energy: 1.231364712469954
Energy: 1.2796165893237312
Energy: 1.2313647103689844
Energy: 1.18452390675609
Energy: 1.279303787051195
Energy: 1.1845239067569266
Energy: 1.2793037870503583
Energy: 1.1845239067573452
Energy: 1.2793037870482664
Energy: 1.024121218054808
Energy: 1.2263268033540247
Energy: 1.0243280756887265
Energy: 1.2263268033548613
Energy: 1.0237970051471723
Energy: 1.2263268033548613
Energy: 1.2273202455710308
Energy: 1.2002611507975198
Energy: 1.2273202455768502
Energy: 1.200261150798775
Energy: 1.227320245573541
Energy: 1.2002611507975198
Energy: 1.0834398545457264
Energy: 1.3328085784604846
Energy: 1.0834398545306652
Energy: 1.3328085784592292
Energy: 1.0834398545457264
Energy: 1.332808578453372
Energy: 1.2594856759470607
Energy: 1.3098202202225009
Energy: 1.2594833273971888
Energy: 1.3098202202220828
Energy: 1.2594768717370861
Energy: 1.3098202202220828
Energy: 1.1945263868272964
Energy: 1.2260435062605173
Energy: 1.1945263868285516
Energy: 1.2260435062609356
Energy: 1.1945263868285516
Energy: 1.2260435062609356
Energy: 1.1943388098415892
Energy: 1.2477764875878572
Energy: 1.1943388098420078
Energy: 1.2477764875878572
Energy: 1.1943388098411711
Energy: 1.2477764875870203
Energy: 1.1949410141125028
Energy: 1.201769876537546
Energy: 1.194941014111666
Energy: 1.2017698765392193
Energy: 1.1949410141129213
Energy: 1.2017698765388007
Energy: 1.2601538210213812
Energy: 1.309807148672276
Energy: 1.2601529269557792
Energy: 1.309807148672276
Energy: 1.260150946706824
Energy: 1.3098071486731127
Energy: 1.0831091364028593
Energy: 1.366407731959541
Energy: 1.0831091364049512
Energy: 1.366407731966197
Energy: 1.0831091364049512
Energy: 1.3664077319612142
Energy: 1.2268898859684954
Energy: 1.2002109608520062
Energy: 1.2268898859643116
Energy: 1.2002109608515876
Energy: 1.2268898859743524
Energy: 1.2002109608490779

minimum gb energy = 1.0237970051471723 eV
minimum distance =  2.30276165066606 Angstroms
sigma value = 57


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

Energy: 1.1720896863637906
Energy: 1.141526541834003
Energy: 1.1720896863644716
Energy: 1.1415265418353655
Energy: 1.1720896863651529
Energy: 1.141526541834003
Energy: 1.1325957602403416
Energy: 1.1114944952503953
Energy: 1.1325957602342107
Energy: 1.1114944952490329
Energy: 1.1325957602417038
Energy: 1.111494495249714
Energy: 1.1934482657342838
Energy: 1.2086568731439413
Energy: 1.1934482657301964
Energy: 1.208656873145985
Energy: 1.1934482656729752
Energy: 1.2086568731466665
Energy: 1.1554659742230724
Energy: 1.2547296689473282
Energy: 1.1554659742203477
Energy: 1.254729668945966
Energy: 1.1554659742196665
Energy: 1.2547296689446035
Energy: 1.1289271364250322
Energy: 1.0542282030386156
Energy: 1.128927136420945
Energy: 1.0542282030386156
Energy: 1.1289271364223072
Energy: 1.0542282030386156
Energy: 1.2780904018552768
Energy: 1.1270748072421204
Energy: 1.278090401852552
Energy: 1.1270748072414392
Energy: 1.2780904018532333
Energy: 1.1270748072407581
Energy: 1.0820687671148161
Energy: 1.2155390837330735
Energy: 1.0820687671154976
Energy: 1.2155390837337547
Energy: 1.0820687671175413
Energy: 1.2155390837330735
Energy: 1.1572314421482222
Energy: 1.1877064818962668
Energy: 1.157231442155715
Energy: 1.1877064351428395
Energy: 1.1572314421529906
Energy: 1.1877062854691882
Energy: 1.1432602313339064
Energy: 1.1296369137286346
Energy: 1.1432602313366313
Energy: 1.1296369137286346
Energy: 1.1432602313332254
Energy: 1.1296369137286346
Energy: 1.1442706485256509
Energy: 1.1697797464286916
Energy: 1.1442706485270133
Energy: 1.1697797464280106
Energy: 1.1442706485270133
Energy: 1.1697797464280106
Energy: 1.0690348687561264
Energy: 1.2010917866930597
Energy: 1.0690348687540825
Energy: 1.2010917866964659
Energy: 1.0690348687499955
Energy: 1.2010917866903348
Energy: 1.1929235991336342
Energy: 1.0819796478175892
Energy: 1.1929235991349967
Energy: 1.0819796478175892
Energy: 1.1929235991343154
Energy: 1.0819796478169081
Energy: 1.1435159454860016
Energy: 1.2111605454230734
Energy: 1.1435159454832768
Energy: 1.2111605454251169
Energy: 1.1435159454866828
Energy: 1.2111605454264793
Energy: 1.0953144132746016
Energy: 1.205770242795859
Energy: 1.0953144132786887
Energy: 1.205770242798584
Energy: 1.0953144132780075
Energy: 1.2057702427951777
Energy: 1.2699149064800301
Energy: 1.154459019021295
Energy: 1.2699149064786677
Energy: 1.1544590190253823
Energy: 1.2699149064813926
Energy: 1.15445901902402
Energy: 1.140498672459065
Energy: 1.1293328602280044
Energy: 1.1404986724597461
Energy: 1.1293328602286858
Energy: 1.1404986724611084
Energy: 1.1293328602307293
Energy: 1.169945178149485
Energy: 1.2629279079064524
Energy: 1.1699451781515284
Energy: 1.2629279079071334
Energy: 1.169945178149485
Energy: 1.2629279079064524
Energy: 1.1231621904721205
Energy: 1.214768993163634
Energy: 1.1231621904687146
Energy: 1.2147689931629528
Energy: 1.1231621904639462
Energy: 1.2147689931615904
Energy: 1.1095563027780861
Energy: 1.1926284269236818
Energy: 1.1095563027787672
Energy: 1.1926284269625103
Energy: 1.1095563027794484
Energy: 1.1926284269672787
Energy: 1.0950193744109613
Energy: 1.244430138708518
Energy: 1.0950193744089176
Energy: 1.2444301387078367
Energy: 1.0950193744123238
Energy: 1.244430138708518
Energy: 1.1679616531071844
Energy: 1.1984820597652581
Energy: 1.1679616531092278
Energy: 1.1984820597638959
Energy: 1.1679616531085468
Energy: 1.1984820597632146
Energy: 1.0687861714199585
Energy: 1.1946753164398947
Energy: 1.0687861714199585
Energy: 1.1946753164392134
Energy: 1.0687861714220024
Energy: 1.1946753164351263
Energy: 1.1850776170478543
Energy: 1.192641036770247
Energy: 1.185077617046492
Energy: 1.192641036770247
Energy: 1.1850776170485355
Energy: 1.192641036769566
Energy: 1.177534726363494
Energy: 1.1927321088599165
Energy: 1.1775347263342022
Energy: 1.1927321088605978
Energy: 1.1775347262225468
Energy: 1.1927321088605978
Energy: 1.176801718390944
Energy: 1.408189194022836
Energy: 1.1768017187763198
Energy: 1.4081891940241982
Energy: 1.1768017176358607
Energy: 1.408189194023517
Energy: 1.1398219269733496
Energy: 1.1911346100616933
Energy: 1.1398219269747119
Energy: 1.1911346100616933
Energy: 1.139821926972668
Energy: 1.1911346100616933
Energy: 1.0833878850753702
Energy: 1.1924124051045737
Energy: 1.0833878850767327
Energy: 1.1924124051045737
Energy: 1.0833878850760512
Energy: 1.1924124051045737

minimum gb energy = 1.0542282030386156 eV
minimum distance =  2.29228752036839 Angstroms
sigma value = 43


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

Energy: 1.0844771792183274
Energy: 1.0115639821692899
Energy: 1.0844771792168384
Energy: 1.0115639821692899
Energy: 1.0844771792178312
Energy: 1.0115639821702824
Energy: 1.0016194073652829
Energy: 1.010407768906729
Energy: 1.0016194073652829
Energy: 1.0104077689047435
Energy: 1.001619407366772
Energy: 1.01040776890524
Energy: 0.967900389479379
Energy: 1.0898994343645076
Energy: 0.9679003894813643
Energy: 1.0898994343645076
Energy: 0.9679003894649855
Energy: 1.0898994343645076
Energy: 1.0287136829599193
Energy: 1.0597126103303665
Energy: 1.0287136829614083
Energy: 1.0597126103313592
Energy: 1.0287136829604155
Energy: 1.0597126103303665
Energy: 1.002409339891098
Energy: 0.9430931683119783
Energy: 1.0024093398906018
Energy: 0.943093168311482
Energy: 1.0024093398901055
Energy: 0.9430931683124746
Energy: 1.0411582225411449
Energy: 0.9995072432731976
Energy: 1.0411582225451153
Energy: 0.9995072432741902
Energy: 1.0411582225441227
Energy: 0.9995072432736939
Energy: 1.005654507545397
Energy: 1.037895634983513
Energy: 1.0056545075444046
Energy: 1.037895634985002
Energy: 1.0056545075468861
Energy: 1.0378956349830166
Energy: 1.0054456817350936
Energy: 0.9540491284706204
Energy: 1.0054456817336044
Energy: 0.9540491284711169
Energy: 1.0054456817365824
Energy: 0.9540491284711169
Energy: 0.9962765916537242
Energy: 0.9835018384328631
Energy: 0.9962765916532279
Energy: 0.9835018384328631
Energy: 0.9962765916537242
Energy: 0.9835018384328631
Energy: 1.1085770197277194
Energy: 0.990801525344969
Energy: 1.1085770197292084
Energy: 0.9908015253459616
Energy: 1.1085770197277194
Energy: 0.9908015253474506
Energy: 1.0960417787397614
Energy: 1.0736714170337442
Energy: 1.0960417787397614
Energy: 1.073671417031759
Energy: 1.096041778739265
Energy: 1.073671417031759
Energy: 0.9514154494380538
Energy: 0.9858208853527978
Energy: 0.9514154494380538
Energy: 0.985820885353294
Energy: 0.9514154494380538
Energy: 0.9858208853557756
Energy: 1.1073732967086014
Energy: 0.9408728891418566
Energy: 1.1073732967090977
Energy: 0.9408728891418566
Energy: 1.1073732967090977
Energy: 0.9408728891413604
Energy: 1.008141925297096
Energy: 1.0688607124001297
Energy: 1.008141925307519
Energy: 1.0688607123986407
Energy: 1.0081419253030521
Energy: 1.0688607124001297
Energy: 0.9804937653610326
Energy: 0.9703218176909
Energy: 0.9804937653605363
Energy: 0.9703218176928853
Energy: 0.9804937653610326
Energy: 0.9703218176889148
Energy: 1.0402236203842232
Energy: 1.004458429161558
Energy: 1.0402236203857123
Energy: 1.0044584291625505
Energy: 1.0402236203857123
Energy: 1.004458429161558
Energy: 1.0023704022992945
Energy: 1.0590083032492457
Energy: 1.002370402296813
Energy: 1.0590083032487494
Energy: 1.0023704023007838
Energy: 1.0590083032462676
Energy: 1.0093176662284924
Energy: 0.9687730663171726
Energy: 1.0093176662299812
Energy: 0.9687730663181654
Energy: 1.0093176662289887
Energy: 0.968773066317669
Energy: 1.001523806585081
Energy: 1.0802867552164188
Energy: 1.001523806585081
Energy: 1.0802867552174116
Energy: 1.001523806585081
Energy: 1.0802867552174116
Energy: 1.0025529616338318
Energy: 0.9629120858483887
Energy: 1.0025529616338318
Energy: 0.962912085850374
Energy: 1.0025529616338318
Energy: 0.9629120858513667
Energy: 1.0797260859707887
Energy: 1.0087525776289612
Energy: 1.0797260859702924
Energy: 1.0087525776289612
Energy: 1.0797260859717814
Energy: 1.0087525776279687
Energy: 1.0427264706446076
Energy: 1.0887892544824445
Energy: 1.0427264706456
Energy: 1.088789254482941
Energy: 1.0427264706451038
Energy: 1.0887892544819482
Energy: 1.0656166117683228
Energy: 1.0797490091314408
Energy: 1.0656166117678265
Energy: 1.0797490091304482
Energy: 1.0656166117678265
Energy: 1.0797490091309445
Energy: 1.0360809749903412
Energy: 1.0081150096976372
Energy: 1.0360809749913338
Energy: 1.0081150096986298
Energy: 1.0360809749918303
Energy: 1.0081150096981335
Energy: 0.9491999123307967
Energy: 0.9540674450861544
Energy: 0.949199912331293
Energy: 0.9540674450861544
Energy: 0.9491999123337745
Energy: 0.9540674450841692
Energy: 0.9739675642543479
Energy: 1.0532483647148119
Energy: 0.9739675642538516
Energy: 1.0532483647143156
Energy: 0.9739675642548442
Energy: 1.0532483647143156
Energy: 1.0457959922978535
Energy: 0.9698732668287174
Energy: 1.0457959922978535
Energy: 0.9698732668292137
Energy: 1.04579599229835
Energy: 0.9698732668311991
Energy: 0.8974714815278195
Energy: 0.9590326931378631
Energy: 0.8974714815283159
Energy: 0.9590326931378631
Energy: 0.8974714815283159
Energy: 0.9590326931373666
Energy: 0.9735821501007437
Energy: 0.9966945419596686
Energy: 0.9735821500997962
Energy: 0.9966945419591723
Energy: 0.9735821501007437
Energy: 0.9966945419601649
Energy: 0.979945722369438
Energy: 0.9530640626646874
Energy: 0.9799457223689416
Energy: 0.95306406266568
Energy: 0.9799457223744013
Energy: 0.9530640626666728
Energy: 0.8835956609612078
Energy: 0.9589348148405527
Energy: 0.8835956609656749
Energy: 0.95893481483956
Energy: 0.8835956609631933
Energy: 0.9589348148390637
Energy: 0.9742645456252593
Energy: 0.9612064249344954
Energy: 0.9742645456252593
Energy: 0.9612064249344954
Energy: 0.9742645456257556
Energy: 0.961206424933999
Energy: 0.9467244490540099
Energy: 0.9545774565653443
Energy: 0.9467244490559953
Energy: 0.9545774565623664
Energy: 0.9467244490579806
Energy: 0.9545774565628627
Energy: 1.0968208690795298
Energy: 1.0718626715500483
Energy: 1.0968208690775445
Energy: 1.0718626715490556
Energy: 1.0968208690760557
Energy: 1.0718626715495518
Energy: 0.9759534081292052
Energy: 0.9330812159440216
Energy: 0.9759534081301978
Energy: 0.9330812159440216
Energy: 0.9759534081311905
Energy: 0.933081215944518
Energy: 0.8717413115283534
Energy: 0.9555126596649668
Energy: 0.871741311527857
Energy: 0.9555126596679447
Energy: 0.871741311526368
Energy: 0.9555126596699299

minimum gb energy = 0.871741311526368 eV
minimum distance =  2.27258060901398 Angstroms
sigma value = 81


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

Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.024936025128209575
Energy: 0.07865427291848884
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.8208727628037169
Energy: 0.026350430912723773
Energy: 0.8208727628037169
Energy: 0.026350430910900148
Energy: 0.8208727628037169
Energy: 0.026350430912723773
Energy: 0.820844803892986
Energy: 0.025902869555883154
Energy: 0.820844803892986
Energy: 0.02590286955770678
Energy: 0.820844803892986
Energy: 0.025902869559530403
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.8208727628037169
Energy: 0.026350430914547397
Energy: 0.8208727628037169
Energy: 0.026350430914547397
Energy: 0.8208727628037169
Energy: 0.026350430914547397
Energy: 0.820844803892986
Energy: 0.02590286956500128
Energy: 0.820844803892986
Energy: 0.025902869566824905
Energy: 0.820844803892986
Energy: 0.02590286956500128
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.024936025128209575
Energy: 0.07865427291848884
Energy: 0.024936025128209575
Energy: 0.07865427291848884
Energy: 0.8208727628055407
Energy: 0.026350430907252902
Energy: 0.8208727628037169
Energy: 0.026350430907252902
Energy: 0.8208727628037169
Energy: 0.026350430907252902
Energy: 0.820844803892986
Energy: 0.025902869561354028
Energy: 0.820844803892986
Energy: 0.025902869563177656
Energy: 0.820844803892986
Energy: 0.025902869563177656
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.0249360251300332
Energy: 0.07865427291848884
Energy: 0.0249360251300332
Energy: 0.07865427291848884

minimum gb energy = 0.024936025128209575 eV
minimum distance =  2.49037460285534 Angstroms
sigma value = 3


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

Energy: 0.8388954051075814
Energy: 0.8815317652999758
Energy: 0.8388954051081272
Energy: 0.88153176529943
Energy: 0.8388954051081272
Energy: 0.8815317652988843
Energy: 0.7027067171435172
Energy: 0.7718147179523072
Energy: 0.702706717144063
Energy: 0.7718147179539443
Energy: 0.702706717144063
Energy: 0.771814717952853
Energy: 0.8178480976053024
Energy: 0.7712779198125689
Energy: 0.8178480976031195
Energy: 0.7712779198114775
Energy: 0.8178480976058481
Energy: 0.7712779198125689
Energy: 0.7675066924567062
Energy: 0.8242826989304597
Energy: 0.767506692464892
Energy: 0.8242826989304597
Energy: 0.7675066924638005
Energy: 0.8242826989304597
Energy: 0.7325402567623376
Energy: 0.7698951959395343
Energy: 0.7325402569276427
Energy: 0.7698951959411715
Energy: 0.7325402568081786
Energy: 0.7698951959411715
Energy: 0.8209108091212334
Energy: 0.7805503250752336
Energy: 0.8209108091195961
Energy: 0.7805503250752336
Energy: 0.8209108091206876
Energy: 0.7805503250741422
Energy: 0.7853876938414952
Energy: 0.8125323790728212
Energy: 0.7853876938420409
Energy: 0.8125323790711841
Energy: 0.7853876938425866
Energy: 0.8125323790717297
Energy: 0.7316086504649444
Energy: 0.7691484980869847
Energy: 0.7316086504649444
Energy: 0.7691484980848019
Energy: 0.7316086504649444
Energy: 0.7691484980875305
Energy: 0.8425701077429634
Energy: 0.8034872358152926
Energy: 0.8425701077435089
Energy: 0.8034872358158381
Energy: 0.8425701077435089
Energy: 0.8034872358152926
Energy: 0.7856958984761638
Energy: 0.7939934605253179
Energy: 0.7856958984772552
Energy: 0.7939934605264095
Energy: 0.7856958984750724
Energy: 0.7939934605258638
Energy: 0.7785167677525088
Energy: 0.7674664392109944
Energy: 0.7785167677486886
Energy: 0.7674664392109944
Energy: 0.7785167677525088
Energy: 0.7674664392109944
Energy: 0.8589759663030977
Energy: 0.8500026936331936
Energy: 0.8589759663036434
Energy: 0.8500026936315563
Energy: 0.8589759663041892
Energy: 0.8500026936321021
Energy: 0.7683400256011762
Energy: 0.7490576464215145
Energy: 0.7683400256006304
Energy: 0.7490576464209686
Energy: 0.7683400256011762
Energy: 0.7490576464209686
Energy: 0.8048050986629456
Energy: 0.7336925710817892
Energy: 0.8048050986629456
Energy: 0.7336925710817892
Energy: 0.8048050986623999
Energy: 0.7336925710812434
Energy: 0.7995626733005168
Energy: 0.8310195196416578
Energy: 0.7995626733010625
Energy: 0.831019519641112
Energy: 0.7995626733005168
Energy: 0.8310195196394748
Energy: 0.7687428389368968
Energy: 0.7369594963127356
Energy: 0.768742838936351
Energy: 0.7369594963105527
Energy: 0.7687428389368968
Energy: 0.7369594963143729
Energy: 0.81711926732704
Energy: 0.8541082077521052
Energy: 0.8171192673275858
Energy: 0.8541082077515595
Energy: 0.8171192673281314
Energy: 0.8541082077526508
Energy: 0.8296959713018973
Energy: 0.7882123944332029
Energy: 0.829695971302989
Energy: 0.7882123944348401
Energy: 0.8296959713024432
Energy: 0.7882123944337487
Energy: 0.7692476847968983
Energy: 0.7167578389466761
Energy: 0.7692476847963524
Energy: 0.7167578389461304
Energy: 0.7692476847985354
Energy: 0.7167578389461304
Energy: 0.7931976804495741
Energy: 0.8859362126749263
Energy: 0.7931976804506654
Energy: 0.8859362126749263
Energy: 0.7931976804506654
Energy: 0.8859362126749263
Energy: 0.8362116028323023
Energy: 0.5933638605521209
Energy: 0.8362116028323023
Energy: 0.5933638605532124
Energy: 0.8362116028317568
Energy: 0.5933638605444808
Energy: 0.7352398970929371
Energy: 0.7762097745625535
Energy: 0.7352398970929371
Energy: 0.7762097745636448
Energy: 0.7352398970923913
Energy: 0.7762097745625535
Energy: 0.8259254423884015
Energy: 0.7359230877697098
Energy: 0.825925442389493
Energy: 0.735923087769164
Energy: 0.8259254423916759
Energy: 0.7359230877680727
Energy: 0.8261398187383323
Energy: 0.5978880081896294
Energy: 0.8261398187405153
Energy: 0.5978880081945408
Energy: 0.8261398187383323
Energy: 0.5978880081934494
Energy: 0.7688550700972239
Energy: 0.8177104735868131
Energy: 0.7688550700961325
Energy: 0.8177104735873589
Energy: 0.7688550700972239
Energy: 0.8177104735873589
Energy: 0.8287874010339206
Energy: 0.7687414362422754
Energy: 0.8287874010344661
Energy: 0.7687414362422754
Energy: 0.8287874010339206
Energy: 0.7687414362417295
Energy: 0.93375226786617
Energy: 0.7193394872810063
Energy: 0.9337522678634415
Energy: 0.7193394872810063
Energy: 0.9337522678645328
Energy: 0.7193394872799147
Energy: 0.7863411996899459
Energy: 0.8416488373308576
Energy: 0.7863411996894001
Energy: 0.8416488373308576
Energy: 0.7863411996888545
Energy: 0.8416488373308576
Energy: 0.8238766636503818
Energy: 0.7691902907978097
Energy: 0.823876663649836
Energy: 0.7691902907978097
Energy: 0.8238766636503818
Energy: 0.7691902907983553
Energy: 0.93357772609493
Energy: 0.7722533316839787
Energy: 0.9335777260971128
Energy: 0.7722533235851717
Energy: 0.9335777260943843
Energy: 0.7722533188253087
Energy: 0.8106596768104978
Energy: 0.8445753678518985
Energy: 0.8106596768094064
Energy: 0.8445753678518985
Energy: 0.8106596768088606
Energy: 0.8445753678508072
Energy: 0.7924373902043331
Energy: 0.7806712371531884
Energy: 0.7924373902054246
Energy: 0.7806712371526426
Energy: 0.7924373902054246
Energy: 0.7806712371526426
Energy: 0.8066434100763106
Energy: 0.8368094454395417
Energy: 0.8066434100774019
Energy: 0.8368094454395417
Energy: 0.8066434100763106
Energy: 0.8368094454400875

minimum gb energy = 0.5933638605444808 eV
minimum distance =  2.3320977352587 Angstroms
sigma value = 67


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

Energy: 1.0861574315454205
Energy: 1.041011502861024
Energy: 1.0861574315461981
Energy: 1.0410115028594689
Energy: 1.0861574315446427
Energy: 1.0410115028594689
Energy: 1.0360854013803784
Energy: 1.0502023482077187
Energy: 1.0360854013827114
Energy: 1.0502023482069411
Energy: 1.0360854013811562
Energy: 1.0502023482077187
Energy: 1.0875663009174585
Energy: 1.04816386758852
Energy: 1.0875663009174585
Energy: 1.0481638675869647
Energy: 1.087566300919014
Energy: 1.0481638675877425
Energy: 1.059040802334905
Energy: 1.0997670566984796
Energy: 1.059040802334905
Energy: 1.0997670567000348
Energy: 1.0590408023356825
Energy: 1.0997670567008124
Energy: 1.030375679932163
Energy: 1.040632360159364
Energy: 1.0303756799329407
Energy: 1.040632360158586
Energy: 1.0303756799329407
Energy: 1.040632360158586
Energy: 1.0917514341546222
Energy: 1.0390560821169297
Energy: 1.0917514341546222
Energy: 1.0390560821169297
Energy: 1.0917514341546222
Energy: 1.0390560821169297
Energy: 1.04407369552425
Energy: 1.0659021458197135
Energy: 1.0440736955250276
Energy: 1.0659021458220463
Energy: 1.04407369552425
Energy: 1.0659021458204911
Energy: 1.0865581736290706
Energy: 1.0447374944083965
Energy: 1.0865581736298482
Energy: 1.0447374944076189
Energy: 1.0865581736290706
Energy: 1.0447374944076189
Energy: 1.118913871438784
Energy: 1.126557686889871
Energy: 1.1189138714380065
Energy: 1.126557686889871
Energy: 1.1189138714395617
Energy: 1.1265576868890934
Energy: 1.0329416844273207
Energy: 1.0161949840449613
Energy: 1.0329416844280983
Energy: 1.0161949840550701
Energy: 1.0329416844273207
Energy: 1.0161949840465165
Energy: 1.0852561200574
Energy: 1.0476360323363563
Energy: 1.0852561200574
Energy: 1.0476360323363563
Energy: 1.0852561200574
Energy: 1.0476360323363563
Energy: 1.0325141798162207
Energy: 1.0765192530606371
Energy: 1.0325141798162207
Energy: 1.0765192530606371
Energy: 1.0325141798154431
Energy: 1.0765192530614145
Energy: 1.0315829837722144
Energy: 1.0303039376825271
Energy: 1.031582983772992
Energy: 1.0303039376825271
Energy: 1.0315829837722144
Energy: 1.0303039376817495
Energy: 1.0705154976015607
Energy: 1.0310920674002617
Energy: 1.070515497602338
Energy: 1.0310920674010395
Energy: 1.0705154976015607
Energy: 1.0310920673994841
Energy: 1.0353562080667766
Energy: 1.0348810049043806
Energy: 1.0353562080667766
Energy: 1.0348810049043806
Energy: 1.0353562080683318
Energy: 1.0348810049043806
Energy: 1.0558159700261798
Energy: 1.0471030908221761
Energy: 1.0558159700246248
Energy: 1.0471030908221761
Energy: 1.0558159700246248
Energy: 1.0471030908221761
Energy: 1.1130476162599379
Energy: 1.0521285244233554
Energy: 1.1130476162591603
Energy: 1.0521285244233554
Energy: 1.1130476162591603
Energy: 1.0521285244233554
Energy: 1.037868633259325
Energy: 1.0243074131078396
Energy: 1.03786863326088
Energy: 1.0243074131078396
Energy: 1.037868633259325
Energy: 1.0243074131078396
Energy: 1.1903944019034833
Energy: 1.0893699343892977
Energy: 1.1903944019089265
Energy: 1.0893699343892977
Energy: 1.1903944019034833
Energy: 1.0893699343900753
Energy: 1.018782186034771
Energy: 1.04947840395105
Energy: 1.018782186034771
Energy: 1.049478403951828
Energy: 1.0187821860339934
Energy: 1.04947840395105
Energy: 1.0808426135875349
Energy: 1.0390311833567614
Energy: 1.0808426135852023
Energy: 1.0390311833567614
Energy: 1.0808426135852023
Energy: 1.0390311833567614
Energy: 1.0546936951136272
Energy: 1.1283963220235425
Energy: 1.0546936951144048
Energy: 1.1283963220227649
Energy: 1.0546936951136272
Energy: 1.1283963220227649
Energy: 1.0228057696147188
Energy: 1.047689321125144
Energy: 1.0228057696147188
Energy: 1.0476893211259215
Energy: 1.0228057696154964
Energy: 1.0476893211259215

minimum gb energy = 1.0161949840449613 eV
minimum distance =  2.34794779782792 Angstroms
sigma value = 33


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

Energy: 1.2387956778201612
Energy: 1.2456911440437477
Energy: 1.2387956778211477
Energy: 1.2456911440457208
Energy: 1.2387956778201612
Energy: 1.245691144044734
Energy: 1.2089986769639127
Energy: 1.1845698401341331
Energy: 1.208998676964406
Energy: 1.18456984013512
Energy: 1.208998676965886
Energy: 1.1845698401346265
Energy: 1.2485634789799567
Energy: 1.200358177092922
Energy: 1.2485634789799567
Energy: 1.2003581770924285
Energy: 1.24856347898045
Energy: 1.200358177092922
Energy: 1.213317858265871
Energy: 1.3018741233338622
Energy: 1.2133178582648845
Energy: 1.3018741233343554
Energy: 1.2133178582653776
Energy: 1.3018741233328757
Energy: 1.23422713268846
Energy: 1.1836970092752714
Energy: 1.23422713268846
Energy: 1.1836970092757646
Energy: 1.2342271326889531
Energy: 1.1836970092752714
Energy: 1.2928548332203116
Energy: 1.2686450992548957
Energy: 1.292854833217352
Energy: 1.2686450992548957
Energy: 1.2928548332183385
Energy: 1.2686450992548957
Energy: 1.21053950090408
Energy: 1.2580703800353517
Energy: 1.2105395009030935
Energy: 1.2580703800348583
Energy: 1.2105395009035866
Energy: 1.2580703800348583
Energy: 1.2857536968823897
Energy: 1.226011213591646
Energy: 1.2857536968814032
Energy: 1.2260112135921393
Energy: 1.2857536968843628
Energy: 1.226011213591646
Energy: 1.202977267075164
Energy: 1.262051162614296
Energy: 1.2029772670746706
Energy: 1.262051162614789
Energy: 1.2029772670746706
Energy: 1.262051162614789
Energy: 1.2087707568632615
Energy: 1.2220414374172732
Energy: 1.2087707568642483
Energy: 1.2220414374167798
Energy: 1.2087707568617818
Energy: 1.2220414374172732
Energy: 1.2668144529056273
Energy: 1.183160784495801
Energy: 1.2668144529066139
Energy: 1.1831607844962944
Energy: 1.2668144529071073
Energy: 1.1831607844953078
Energy: 1.2066924052581602
Energy: 1.222174664180752
Energy: 1.2066924052552004
Energy: 1.2221746641817386
Energy: 1.2066924052586536
Energy: 1.2221746641812454
Energy: 1.2071259096719502
Energy: 1.2108869393157349
Energy: 1.2071259096739233
Energy: 1.2108869393157349
Energy: 1.2071259096724434
Energy: 1.2108869393152415
Energy: 1.2044352586969034
Energy: 1.1849202794232512
Energy: 1.20443525869641
Energy: 1.1849202794242375
Energy: 1.204435258698383
Energy: 1.1849202794232512
Energy: 1.2053347861463537
Energy: 1.223641661074892
Energy: 1.2053347861458605
Energy: 1.2236416610753853
Energy: 1.205334786146847
Energy: 1.2236416610758787
Energy: 1.2109595477980222
Energy: 1.2535164132209677
Energy: 1.2109595477985153
Energy: 1.2535164132229408
Energy: 1.2109595477985153
Energy: 1.2535164132204744
Energy: 1.2294989379071257
Energy: 1.2006322546392199
Energy: 1.229498937899233
Energy: 1.2006322546387265
Energy: 1.2294989379041659
Energy: 1.2006322546387265
Energy: 1.261626514991705
Energy: 1.3090129911125992
Energy: 1.2616265149877584
Energy: 1.3090129911130923
Energy: 1.2616265149877584
Energy: 1.3090129911121058
Energy: 1.2137024971696035
Energy: 1.2806908216963944
Energy: 1.2137024971700967
Energy: 1.2806908216968875
Energy: 1.2137024971676305
Energy: 1.280690821697874
Energy: 1.2759059094391096
Energy: 1.1851397573584561
Energy: 1.2759059094400962
Energy: 1.1851397573579627
Energy: 1.2759059094391096
Energy: 1.1851397573579627
Energy: 1.2100590849146466
Energy: 1.2666345938098944
Energy: 1.2100590849146466
Energy: 1.2666345938098944
Energy: 1.2100590849156334
Energy: 1.266634593809401
Energy: 1.204111240044975
Energy: 1.2168937542054115
Energy: 1.204111240046455
Energy: 1.216893754204918
Energy: 1.2041112400444816
Energy: 1.216893754204425
Energy: 1.3046250511852011
Energy: 1.1836812580480114
Energy: 1.3046250511852011
Energy: 1.1836812580475182
Energy: 1.3046250511891475
Energy: 1.1836812580470248
Energy: 1.2099600655347773
Energy: 1.2131975126930343
Energy: 1.209960065536257
Energy: 1.2131975126935275
Energy: 1.209960065535764
Energy: 1.2131975126940209
Energy: 1.2075993494226176
Energy: 1.2141027810853497
Energy: 1.207599349423111
Energy: 1.2141027810853497
Energy: 1.2075993494221242
Energy: 1.2141027810853497
Energy: 1.2682430817818524
Energy: 1.2190861427088253
Energy: 1.2682430817779058
Energy: 1.219086142708332
Energy: 1.2682430817754395
Energy: 1.2190861427078388
Energy: 1.2107172434556783
Energy: 1.2170174604140434
Energy: 1.2107172434571583
Energy: 1.2170174604140434
Energy: 1.2107172434556783
Energy: 1.2170174604140434
Energy: 1.1913577476301915
Energy: 1.3017225951913043
Energy: 1.191357747631178
Energy: 1.3017225951883447
Energy: 1.1913577476321648
Energy: 1.3017225951908111
Energy: 1.2848997378912763
Energy: 1.1836919571966944
Energy: 1.2848997378897964
Energy: 1.1836919571966944
Energy: 1.2848997378897964
Energy: 1.183691957196201
Energy: 1.211819050350376
Energy: 1.2550660529760234
Energy: 1.2118190503508244
Energy: 1.2550660529750368
Energy: 1.2118190503508244
Energy: 1.2550660529765167
Energy: 1.308041211592429
Energy: 1.310267530637813
Energy: 1.308041211594402
Energy: 1.310267530637813
Energy: 1.3080412115939088
Energy: 1.3102675306383065
Energy: 1.2347749431519985
Energy: 1.184725758016113
Energy: 1.234774943151012
Energy: 1.184725758016113
Energy: 1.2347749431515052
Energy: 1.184725758016113
Energy: 1.2145637463294363
Energy: 1.2542471151803798
Energy: 1.2145637463294363
Energy: 1.2542471151793935
Energy: 1.214563746328943
Energy: 1.2542471151813666
Energy: 1.2114562615117561
Energy: 1.1997248772418456
Energy: 1.2114562615112627
Energy: 1.199724877242339
Energy: 1.2114562615117561
Energy: 1.1997248772418456
Energy: 1.2131461409693296
Energy: 1.2015133316999391
Energy: 1.2131461409722892
Energy: 1.2015133317004323
Energy: 1.2131461409693296
Energy: 1.2015133316999391
Energy: 1.2085294607803
Energy: 1.1989501593668925
Energy: 1.2085294607807935
Energy: 1.198950159367386
Energy: 1.20852946078178
Energy: 1.1989501593668925
Energy: 1.2103278436316953
Energy: 1.2200109970521626
Energy: 1.2103278436316953
Energy: 1.2200109970521626
Energy: 1.2103278436312022
Energy: 1.2200109970531492

minimum gb energy = 1.1831607844953078 eV
minimum distance =  2.30845244801179 Angstroms
sigma value = 41


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

Energy: 1.5013766369232031
Energy: 1.4781272010164725
Energy: 1.5013766369232031
Energy: 1.4781272010164725
Energy: 1.5013766369232031
Energy: 1.4781272010164725
Energy: 1.5077914918025783
Energy: 1.4526944518038793
Energy: 1.5077914918025783
Energy: 1.4526944518025326
Energy: 1.5077914918039255
Energy: 1.4526944518038793
Energy: 1.5939629271249096
Energy: 1.4606619388250857
Energy: 1.5939629271249096
Energy: 1.4606619388250857
Energy: 1.5939629271262565
Energy: 1.4606619388250857
Energy: 1.471149632642445
Energy: 1.5831195617718887
Energy: 1.471149632642445
Energy: 1.5831195617718887
Energy: 1.471149632642445
Energy: 1.5831195617705418
Energy: 1.5846354341053983
Energy: 1.4814590326838308
Energy: 1.5846354341067455
Energy: 1.4814590326838308
Energy: 1.5846354341053983
Energy: 1.4814590326838308
Energy: 1.616232962378837
Energy: 1.589078659585809
Energy: 1.6162329623774903
Energy: 1.589078659585809
Energy: 1.6162329623774903
Energy: 1.589078659585809
Energy: 1.4844358582239392
Energy: 1.4976436335510843
Energy: 1.4844358582239392
Energy: 1.4976436335510843
Energy: 1.4844358582239392
Energy: 1.4976436335510843
Energy: 1.5330106066868687
Energy: 1.464054309039579
Energy: 1.5330106066868687
Energy: 1.464054309040926
Energy: 1.5330106066868687
Energy: 1.464054309040926
Energy: 1.5205765158181626
Energy: 1.5173905689418508
Energy: 1.5205765158181626
Energy: 1.5173905689418508
Energy: 1.5205765158181626
Energy: 1.5173905689418508
Energy: 1.4701993461490848
Energy: 1.5170491622495985
Energy: 1.4701993461504315
Energy: 1.5170491622495985
Energy: 1.4701993461504315
Energy: 1.5170491622495985
Energy: 1.5078958406015308
Energy: 1.4602460185158026
Energy: 1.5078958406028775
Energy: 1.4602460185158026
Energy: 1.5078958406015308
Energy: 1.4602460185158026
Energy: 1.5358454405783557
Energy: 1.4528757053863475
Energy: 1.5358454405783557
Energy: 1.4528757053863475
Energy: 1.5358454405783557
Energy: 1.4528757053863475
Energy: 1.4978598424810057
Energy: 1.5821177377528641
Energy: 1.4978598424810057
Energy: 1.5821177377528641
Energy: 1.4978598424823524
Energy: 1.5821177377542108
Energy: 1.5843843566610882
Energy: 1.4641388191101263
Energy: 1.5843843566610882
Energy: 1.4641388191101263
Energy: 1.5843843566610882
Energy: 1.4641388191101263

minimum gb energy = 1.4526944518025326 eV
minimum distance =  2.31259675618317 Angstroms
sigma value = 11


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

Energy: 1.7813805530911782
Energy: 1.7851541609664905
Energy: 1.7813805530917697
Energy: 1.7851541609664905
Energy: 1.7813805530923614
Energy: 1.7851541609664905
Energy: 1.7525587003159586
Energy: 1.7060759199631441
Energy: 1.7525587003159586
Energy: 1.7060759199631441
Energy: 1.7525587003153666
Energy: 1.7060759199631441
Energy: 1.841609561312862
Energy: 1.7165018186880407
Energy: 1.841609561312862
Energy: 1.7165018186880407
Energy: 1.841609561313454
Energy: 1.7165018186880407
Energy: 1.721034747698587
Energy: 1.792992133623504
Energy: 1.7210347476979955
Energy: 1.792992133623504
Energy: 1.7210347476979955
Energy: 1.7929921336229124
Energy: 1.8442640728598014
Energy: 1.727451201869945
Energy: 1.8442640728609847
Energy: 1.727451201869945
Energy: 1.8442640728609847
Energy: 1.727451201869945
Energy: 1.7137949912201071
Energy: 1.7894867495070497
Energy: 1.7137949912212904
Energy: 1.7894867495070497
Energy: 1.7137949912212904
Energy: 1.7894867495076416
Energy: 1.729302956093527
Energy: 1.8362511505186676
Energy: 1.7293029560929352
Energy: 1.8362511505204424
Energy: 1.7293029560929352
Energy: 1.8362511505210342
Energy: 1.796019488062306
Energy: 1.7221506819830772
Energy: 1.7960194880628975
Energy: 1.7221506819830772
Energy: 1.796019488062306
Energy: 1.7221506819824852
Energy: 1.8116376704625092
Energy: 1.7210819225755425
Energy: 1.8116376704625092
Energy: 1.7210819225755425
Energy: 1.8116376704625092
Energy: 1.721081922576134
Energy: 1.732481943211337
Energy: 1.842506003232706
Energy: 1.732481943211337
Energy: 1.842506003234481
Energy: 1.732481943211337
Energy: 1.8425060032303395
Energy: 1.8103684614716404
Energy: 1.739091055268739
Energy: 1.8103684614722324
Energy: 1.739091055268739
Energy: 1.8103684614716404
Energy: 1.7390910552681471
Energy: 1.7854856440964673
Energy: 1.783893455385384
Energy: 1.785485644098834
Energy: 1.783893455385384
Energy: 1.7854856440994256
Energy: 1.783893455385384
Energy: 1.7213346441770838
Energy: 1.8091728199279509
Energy: 1.7213346441770838
Energy: 1.8091728199279509
Energy: 1.7213346441770838
Energy: 1.8091728199279509
Energy: 1.8606455464330247
Energy: 1.7173434566480672
Energy: 1.8606455464324332
Energy: 1.7173434566474752
Energy: 1.860645546430658
Energy: 1.7173434566474752
Energy: 1.8036774245953682
Energy: 1.7509608314365763
Energy: 1.8036774245947766
Energy: 1.7509608314365763
Energy: 1.8036774245941847
Energy: 1.7509608314365763
Energy: 1.754341104723457
Energy: 1.8028274825421047
Energy: 1.754341104723457
Energy: 1.8028274825403299
Energy: 1.754341104723457
Energy: 1.8028274825421047
Energy: 1.804560522945842
Energy: 1.7236363611726877
Energy: 1.8045605229464332
Energy: 1.7236363611726877
Energy: 1.804560522945842
Energy: 1.7236363611726877
Energy: 1.7713186488848758
Energy: 1.7870520510443126
Energy: 1.7713186488854673
Energy: 1.7870520510443126
Energy: 1.7713186488854673
Energy: 1.7870520510443126
Energy: 1.7236536469057506
Energy: 1.763367655808734
Energy: 1.7236536469057506
Energy: 1.763367655808142
Energy: 1.7236536469057506
Energy: 1.763367655808734
Energy: 1.8091945184071065
Energy: 1.7422891165966075
Energy: 1.809194518404148
Energy: 1.7422891165966075
Energy: 1.8091945184071065
Energy: 1.7422891165966075
Energy: 1.7334673782471477
Energy: 1.8020300635840378
Energy: 1.7334673782471477
Energy: 1.802030063583446
Energy: 1.7334673782471477
Energy: 1.8020300635840378
Energy: 1.7333319794610946
Energy: 1.8155479647342676
Energy: 1.7333319794610946
Energy: 1.8155479647366344
Energy: 1.7333319794610946
Energy: 1.8155479647342676
Energy: 1.832385699592063
Energy: 1.717275036650585
Energy: 1.832385699592063
Energy: 1.717275036650585
Energy: 1.832385699592063
Energy: 1.717275036650585
Energy: 1.8182213406464072
Energy: 1.7057005165300383
Energy: 1.8182213406458156
Energy: 1.7057005165294468
Energy: 1.8182213406464072
Energy: 1.7057005165294468
Energy: 1.7334828667990045
Energy: 1.8143465142544786
Energy: 1.7334828667990045
Energy: 1.8143465142538868
Energy: 1.7334828667990045
Energy: 1.8143465142544786
Energy: 1.8126574411241032
Energy: 1.74424266961819
Energy: 1.8126574411241032
Energy: 1.744242669618782
Energy: 1.812657441124695
Energy: 1.744242669618782
Energy: 1.7244363705881862
Energy: 1.8637350957068155
Energy: 1.7244363705881862
Energy: 1.8637350957068155
Energy: 1.7244363705881862
Energy: 1.8637350957068155
Energy: 1.7149923072767566
Energy: 1.790378255930927
Energy: 1.7149923072767566
Energy: 1.790378255930927
Energy: 1.7149923072761646
Energy: 1.790378255930927
Energy: 1.806675171496848
Energy: 1.7423821283046348
Energy: 1.8066751714962563
Energy: 1.7423821283052263
Energy: 1.8066751714944813
Energy: 1.7423821283052263
Energy: 1.7635202243714188
Energy: 1.7180233788368238
Energy: 1.7635202243714188
Energy: 1.7180233788374155
Energy: 1.7635202243720107
Energy: 1.7180233788374155
Energy: 1.7256025899746372
Energy: 1.8335803961988109
Energy: 1.7256025899746372
Energy: 1.8335803961976276
Energy: 1.7256025899746372
Energy: 1.8335803961982196

minimum gb energy = 1.7057005165294468 eV
minimum distance =  2.27122862198526 Angstroms
sigma value = 57


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

Energy: 1.8235247543841537
Energy: 2.009089040092796
Energy: 1.8235247543841537
Energy: 2.009089040091743
Energy: 1.8235247543841537
Energy: 2.009089040092796
Energy: 1.818696149090031
Energy: 1.8344999349301496
Energy: 1.818696149090031
Energy: 1.8344999349290971
Energy: 1.8186961490910836
Energy: 1.8344999349290971
Energy: 1.9777905987897446
Energy: 1.836950154089085
Energy: 1.9777905987897446
Energy: 1.8369501540901374
Energy: 1.977790598788692
Energy: 1.8369501540901374
Energy: 1.8059963170381261
Energy: 1.9273635616595062
Energy: 1.805996317039179
Energy: 1.9273635616563474
Energy: 1.805996317039179
Energy: 1.9273635616552947
Energy: 1.977798415928778
Energy: 1.8368470555970347
Energy: 1.977798415928778
Energy: 1.8368470555970347
Energy: 1.977798415928778
Energy: 1.8368470555970347
Energy: 1.8186742901189326
Energy: 1.833753254352468
Energy: 1.8186742901199855
Energy: 1.8337532543514155
Energy: 1.818674290121038
Energy: 1.833753254352468
Energy: 1.8235247543841537
Energy: 2.009089040092796
Energy: 1.8235247543841537
Energy: 2.009089040093849
Energy: 1.8235247543841537
Energy: 2.009089040092796
Energy: 1.8186961490931892
Energy: 1.8344999349290971
Energy: 1.8186961490931892
Energy: 1.8344999349301496
Energy: 1.8186961490931892
Energy: 1.8344999349290971
Energy: 1.9777905987897446
Energy: 1.836950154089085
Energy: 1.977790598788692
Energy: 1.836950154089085
Energy: 1.977790598787639
Energy: 1.8369501540880318
Energy: 1.805996317039179
Energy: 2.0057395941955707
Energy: 1.805996317039179
Energy: 2.005739594199782
Energy: 1.8059963170381261
Energy: 2.0057395941976766
Energy: 1.977798415927725
Energy: 1.8368470555980876
Energy: 1.9777984159266724
Energy: 1.8368470555980876
Energy: 1.9777984159266724
Energy: 1.8368470555980876
Energy: 1.8186742901189326
Energy: 1.8337532543514155
Energy: 1.8186742901199855
Energy: 1.8337532543514155
Energy: 1.8186742901168267
Energy: 1.8337532543514155
Energy: 1.8235247543841537
Energy: 2.009089040091743
Energy: 1.8235247543841537
Energy: 2.009089040091743
Energy: 1.8235247543841537
Energy: 2.009089040091743
Energy: 1.8186961490910836
Energy: 1.8344999349290971
Energy: 1.8186961490910836
Energy: 1.8344999349301496
Energy: 1.8186961490910836
Energy: 1.8344999349312028
Energy: 1.9777905987897446
Energy: 1.836950154089085
Energy: 1.9777905987907975
Energy: 1.836950154089085
Energy: 1.9777905987897446
Energy: 1.8369501540901374
Energy: 1.8059963170381261
Energy: 2.0057395941976766
Energy: 1.8059963170381261
Energy: 2.0057395941955707
Energy: 1.8059963170381261
Energy: 2.005739594196623
Energy: 1.9777984159298312
Energy: 1.8368470555970347
Energy: 1.9777984159298312
Energy: 1.836847055595982
Energy: 1.977798415928778
Energy: 1.8368470555970347

minimum gb energy = 1.8059963170381261 eV
minimum distance =  2.28050911499167 Angstroms
sigma value = 9


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

Energy: 1.8917211318240732
Energy: 1.9107016766971832
Energy: 1.8917211318240732
Energy: 1.9107016766954636
Energy: 1.8917211318232139
Energy: 1.9107016766971832
Energy: 1.918006676521834
Energy: 1.8940303359020065
Energy: 1.9180066765201145
Energy: 1.894030335901147
Energy: 1.9180066765226933
Energy: 1.8940303359020065
Energy: 1.9668663856812372
Energy: 1.8690905138088805
Energy: 1.9668663856812372
Energy: 1.8690905138080207
Energy: 1.9668663856803774
Energy: 1.8690905138088805
Energy: 1.8157515160345534
Energy: 2.018919692089797
Energy: 1.815751516035413
Energy: 2.018919692088078
Energy: 1.815751516035413
Energy: 2.0189196920889376
Energy: 1.905789270705341
Energy: 1.8594208665834289
Energy: 1.905789270703622
Energy: 1.8594208665834289
Energy: 1.9057892707044815
Energy: 1.8594208665842884
Energy: 1.9467083104194982
Energy: 1.8409026670356208
Energy: 1.9467083104169192
Energy: 1.8409026670356208
Energy: 1.9467083104220768
Energy: 1.8409026670356208
Energy: 1.8119015079012155
Energy: 1.9656662154237987
Energy: 1.8119015079012155
Energy: 1.9656662154229387
Energy: 1.8119015079020755
Energy: 1.9656662154263775
Energy: 1.8074073933830488
Energy: 1.9204529313199707
Energy: 1.8074073933839083
Energy: 1.9204529313199707
Energy: 1.8074073933830488
Energy: 1.9204529313208307
Energy: 2.021131945067254
Energy: 1.8599012823972902
Energy: 2.0211319450689733
Energy: 1.8599012823998695
Energy: 2.0211319450681136
Energy: 1.859901282400729
Energy: 1.815441808803731
Energy: 1.9405161456229598
Energy: 1.815441808803731
Energy: 1.9405161456229598
Energy: 1.815441808803731
Energy: 1.9405161456229598
Energy: 1.8599900852494187
Energy: 1.9197088081737406
Energy: 1.8599900852528575
Energy: 1.91970880817546
Energy: 1.8599900852519977
Energy: 1.9197088081746003
Energy: 1.9863303566976394
Energy: 1.8391596122082043
Energy: 1.9863303566993586
Energy: 1.8391596122082043
Energy: 1.986330356698499
Energy: 1.8391596122082043
Energy: 1.8092213293873616
Energy: 1.9862589926822583
Energy: 1.8092213293873616
Energy: 1.9862589926839775
Energy: 1.8092213293856427
Energy: 1.9862589926831182
Energy: 1.904441893084051
Energy: 1.9577880253859206
Energy: 1.904441893084051
Energy: 1.9577880253859206
Energy: 1.904441893084051
Energy: 1.9577880253859206
Energy: 2.028176336806565
Energy: 1.8373245111249528
Energy: 2.028176336803986
Energy: 1.8373245111249528
Energy: 2.028176336803986
Energy: 1.8373245111249528
Energy: 1.8878304799981005
Energy: 1.9879338291318296
Energy: 1.8878304799981005
Energy: 1.9879338291352682
Energy: 1.8878304799981005
Energy: 1.9879338291369875
Energy: 1.8885470979790762
Energy: 1.9985447595115495
Energy: 1.8885470979799357
Energy: 1.9985447595115495
Energy: 1.8885470979807955
Energy: 1.99854475951069
Energy: 2.133147267766921
Energy: 1.840208214475381
Energy: 2.133147267714482
Energy: 1.840208214475381
Energy: 2.1331472675538024
Energy: 1.840208214475381
Energy: 1.8350457443977823
Energy: 1.966257308687102
Energy: 1.835045744396923
Energy: 1.966257308685383
Energy: 1.835045744396923
Energy: 1.9662573086862423
Energy: 1.870981533786304
Energy: 1.8898000844905587
Energy: 1.870981533786304
Energy: 1.8898000844905587
Energy: 1.8709815337871634
Energy: 1.8898000844914182
Energy: 1.9806582149354777
Energy: 1.847179366361579
Energy: 1.9806582149363376
Energy: 1.847179366361579
Energy: 1.9806582149354777
Energy: 1.8471793663624385

minimum gb energy = 1.8074073933830488 eV
minimum distance =  2.2801745814486 Angstroms
sigma value = 27


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

Energy: 1.902671849226556
Energy: 1.8723748094302528
Energy: 1.902671849226556
Energy: 1.8723748094302528
Energy: 1.9026718492272807
Energy: 1.8723748094309773
Energy: 1.8953937763722273
Energy: 1.8554487569518596
Energy: 1.8953937763729518
Energy: 1.8554487569518596
Energy: 1.8953937763729518
Energy: 1.8554487569525844
Energy: 1.9297897684806742
Energy: 1.8553158023115344
Energy: 1.929789768491544
Energy: 1.8553158023115344
Energy: 1.9297897684900946
Energy: 1.8553158023115344
Energy: 1.892389118088372
Energy: 1.9219714876036245
Energy: 1.892389118088372
Energy: 1.9219714876028995
Energy: 1.892389118088372
Energy: 1.9219714876036245
Energy: 1.8537851938833279
Energy: 1.829779900255639
Energy: 1.8537851938833279
Energy: 1.829779900255639
Energy: 1.8537851938826033
Energy: 1.829779900255639
Energy: 1.8401272615571995
Energy: 1.8556947007473497
Energy: 1.840127261557924
Energy: 1.855694700748799
Energy: 1.840127261557924
Energy: 1.855694700746625
Energy: 1.8650027074440894
Energy: 1.8872058426937866
Energy: 1.8650027074440894
Energy: 1.8872058426923373
Energy: 1.8650027074440894
Energy: 1.8872058426937866
Energy: 1.9061114354631559
Energy: 1.9295062156306235
Energy: 1.9061114354646052
Energy: 1.9295062156306235
Energy: 1.9061114354631559
Energy: 1.929506215629899
Energy: 1.8907463656284371
Energy: 1.8570096120243895
Energy: 1.8907463656291619
Energy: 1.857009612023665
Energy: 1.8907463656298864
Energy: 1.857009612023665
Energy: 1.856680539638331
Energy: 1.8643967552285772
Energy: 1.8566805396376063
Energy: 1.8643967552285772
Energy: 1.856680539638331
Energy: 1.8643967552285772
Energy: 1.8699504380516876
Energy: 1.8507310653058624
Energy: 1.8699504380531369
Energy: 1.8507310653080362
Energy: 1.8699504380516876
Energy: 1.8507310653080362
Energy: 1.8931446989545577
Energy: 1.8579568898324967
Energy: 1.8931446989531084
Energy: 1.8579568898332213
Energy: 1.8931446989545577
Energy: 1.8579568898324967
Energy: 1.9316296023061188
Energy: 1.9073647257711261
Energy: 1.9316296023068436
Energy: 1.9073647257704016
Energy: 1.9316296023068436
Energy: 1.9073647257711261
Energy: 1.8655533824961315
Energy: 1.8498582682336038
Energy: 1.8655533824961315
Energy: 1.8498582682343283
Energy: 1.8655533824961315
Energy: 1.8498582682336038
Energy: 1.8397435090436036
Energy: 1.8557637236370637
Energy: 1.8397435090428793
Energy: 1.8557637236377884
Energy: 1.8397435090436036
Energy: 1.8557637236377884
Energy: 1.8586142044247032
Energy: 1.8305261691811345
Energy: 1.8586142044268772
Energy: 1.8305261691811345
Energy: 1.858614204425428
Energy: 1.8305261691811345
Energy: 1.898866163854259
Energy: 1.9338243445831318
Energy: 1.898866163854259
Energy: 1.9338243445831318
Energy: 1.8988661638535345
Energy: 1.9338243445831318
Energy: 1.9095322656694793
Energy: 1.8561178533322968
Energy: 1.9095322656687548
Energy: 1.8561178533315723
Energy: 1.9095322656694793
Energy: 1.8561178533322968
Energy: 1.8626808905399086
Energy: 1.8554160765516725
Energy: 1.8626808905406333
Energy: 1.8554160765516725
Energy: 1.8626808905399086
Energy: 1.8554160765509478
Energy: 1.9026718492294543
Energy: 1.8723748094302528
Energy: 1.9026718492294543
Energy: 1.8723748094309773
Energy: 1.9026718492309036
Energy: 1.8723748094302528
Energy: 1.8953937763707775
Energy: 1.855448756953309
Energy: 1.8953937763700528
Energy: 1.855448756953309
Energy: 1.8953937763707775
Energy: 1.855448756953309
Energy: 1.9297897684850223
Energy: 1.855315802312259
Energy: 1.9297897684821237
Energy: 1.855315802312259
Energy: 1.9297897684821237
Energy: 1.855315802312259
Energy: 1.8923891180847485
Energy: 1.9219714876028995
Energy: 1.892389118084024
Energy: 1.9219714876028995
Energy: 1.8923891180847485
Energy: 1.9219714876028995
Energy: 1.8537851938861936
Energy: 1.8297799002534652
Energy: 1.8537851938854688
Energy: 1.8297799002534652
Energy: 1.8537851938861936
Energy: 1.8297799002527406
Energy: 1.84012726155575
Energy: 1.8556947007459004
Energy: 1.840127261556475
Energy: 1.855694700746625
Energy: 1.840127261556475
Energy: 1.855694700746625

minimum gb energy = 1.8297799002527406 eV
minimum distance =  2.29634654853192 Angstroms
sigma value = 19


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

Energy: 1.8920471116230968
Energy: 1.9265717446979884
Energy: 1.892047111622471
Energy: 1.9265717446986141
Energy: 1.892047111622471
Energy: 1.9265717446979884
Energy: 1.840645287831104
Energy: 1.8243821600047412
Energy: 1.8406452878304784
Energy: 1.8243821600047412
Energy: 1.840645287831104
Energy: 1.8243821600041157
Energy: 1.862832046425539
Energy: 1.80527850034527
Energy: 1.8628320464261645
Energy: 1.8052785003440188
Energy: 1.8628320464249133
Energy: 1.8052785003446443
Energy: 1.809732004241495
Energy: 1.8425158479600214
Energy: 1.8097320042408978
Energy: 1.8425158479600214
Energy: 1.8097320042402723
Energy: 1.8425158479600214
Energy: 1.8243303846814602
Energy: 1.8652562393740362
Energy: 1.8243303846814602
Energy: 1.8652562393771637
Energy: 1.8243303846808636
Energy: 1.8652562393790402
Energy: 1.859194519922047
Energy: 1.8347863655087073
Energy: 1.8591945199226723
Energy: 1.8347863655087073
Energy: 1.8591945199226723
Energy: 1.8347863655087073
Energy: 1.8041597241283442
Energy: 1.8488183390155974
Energy: 1.8041597241302205
Energy: 1.8488183390143467
Energy: 1.80415972412897
Energy: 1.8488183390143467
Energy: 1.8164594865197994
Energy: 1.8598373927012042
Energy: 1.8164594865197994
Energy: 1.8598373927018297
Energy: 1.8164594865197994
Energy: 1.8598373927018297
Energy: 1.9184747104316286
Energy: 1.8037306235895672
Energy: 1.9184747104303779
Energy: 1.8037306235895672
Energy: 1.9184747104259994
Energy: 1.8037306235889414
Energy: 1.8389748199975595
Energy: 1.8440881320917475
Energy: 1.8389748199975595
Energy: 1.8440881320917475
Energy: 1.8389748199969338
Energy: 1.8440881320917475
Energy: 1.813913553525176
Energy: 1.914047326672557
Energy: 1.813913553525176
Energy: 1.9140473266731828
Energy: 1.8139135535258013
Energy: 1.914047326672557
Energy: 1.8672850237260856
Energy: 1.8066914986214355
Energy: 1.8672850237248344
Energy: 1.8066914986214355
Energy: 1.8672850237248344
Energy: 1.8066914986214355
Energy: 1.8081515767321439
Energy: 1.8399929128043433
Energy: 1.8081515767327692
Energy: 1.839992912803718
Energy: 1.8081515767315184
Energy: 1.8399929128049686
Energy: 1.8142516681820529
Energy: 1.837720849446186
Energy: 1.8142516681801761
Energy: 1.8377208494468114
Energy: 1.8142516681808016
Energy: 1.837720849446186
Energy: 1.8930475281368384
Energy: 1.802705824988274
Energy: 1.8930475281362127
Energy: 1.8027058249876482
Energy: 1.8930475281368384
Energy: 1.8027058249876482
Energy: 1.8797659950262116
Energy: 1.796602390202009
Energy: 1.8797659950287133
Energy: 1.796602390202009
Energy: 1.8797659950274626
Energy: 1.7966023902013835
Energy: 1.8114812302266203
Energy: 1.85157016083472
Energy: 1.8114812302266203
Energy: 1.8515701608359707
Energy: 1.8114812302272454
Energy: 1.8515701608372217
Energy: 1.873501965889798
Energy: 1.8461164787101367
Energy: 1.873501965889798
Energy: 1.8461164787107622
Energy: 1.873501965889798
Energy: 1.8461164787107622
Energy: 1.8730639343201856
Energy: 1.8375627425302634
Energy: 1.8730639343201856
Energy: 1.8375627425302634
Energy: 1.8730639343201856
Energy: 1.8375627425302634
Energy: 1.8083129009859702
Energy: 1.8719657602501896
Energy: 1.8083129009859702
Energy: 1.8719657602495643
Energy: 1.8083129009859702
Energy: 1.8719657602495643
Energy: 1.7921315586338427
Energy: 1.8898387938242445
Energy: 1.7921315586325914
Energy: 1.88983879382487
Energy: 1.7921315586338427
Energy: 1.88983879382487
Energy: 1.9280715519333305
Energy: 1.7930109875805933
Energy: 1.9280715519283265
Energy: 1.793010987581219
Energy: 1.928071551928952
Energy: 1.793010987581219
Energy: 1.8703119841890636
Energy: 1.8378886977996223
Energy: 1.8703119841896891
Energy: 1.8378886977983997
Energy: 1.870311984188438
Energy: 1.837888697797774
Energy: 1.8669229303034973
Energy: 1.9057545113970742
Energy: 1.8669229303022463
Energy: 1.9057545113976997
Energy: 1.8669229303028716
Energy: 1.9057545113964487
Energy: 1.841681974687937
Energy: 1.8036118173648692
Energy: 1.841681974687937
Energy: 1.8036118173642437
Energy: 1.8416819746885624
Energy: 1.8036118173629927
Energy: 1.8317706510487017
Energy: 1.8542369067459388
Energy: 1.831770651049327
Energy: 1.8542369067459388
Energy: 1.831770651049327
Energy: 1.8542369067459388
Energy: 1.794981629782126
Energy: 1.8847661266477176
Energy: 1.7949816297827514
Energy: 1.8847661266470916
Energy: 1.794981629782126
Energy: 1.8847661266483429
Energy: 1.874096274792579
Energy: 1.8326076811152565
Energy: 1.874096274792579
Energy: 1.8326076811152565
Energy: 1.8740962747932042
Energy: 1.832607681115882
Energy: 1.804473090463047
Energy: 1.8387604711603007
Energy: 1.8044730904624213
Energy: 1.8387604711609262
Energy: 1.804473090461796
Energy: 1.8387604711609262

minimum gb energy = 1.7921315586325914 eV
minimum distance =  2.24717415322741 Angstroms
sigma value = 101


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

Energy: 1.8601047936295334
Energy: 1.8071238314639133
Energy: 1.860104793628434
Energy: 1.8071238314639133
Energy: 1.8601047936289836
Energy: 1.8071238314639133
Energy: 1.7777933127469348
Energy: 1.7503728754122596
Energy: 1.7777933127496839
Energy: 1.7503728754144592
Energy: 1.777793312751883
Energy: 1.750372875413359
Energy: 1.7808249921322659
Energy: 1.7644363783579406
Energy: 1.7808249921328159
Energy: 1.764436378357416
Energy: 1.7808249921328159
Energy: 1.764436378357416
Energy: 1.7241862460975685
Energy: 1.7901251364339967
Energy: 1.7241862460981183
Energy: 1.7901251364334472
Energy: 1.7241862460975685
Energy: 1.7901251364339967
Energy: 1.7509779089138704
Energy: 1.7771524632583635
Energy: 1.7509779089144204
Energy: 1.7771524632572888
Energy: 1.7509779089133206
Energy: 1.7771524632578137
Energy: 1.756218854245517
Energy: 1.7628608526496676
Energy: 1.7562188542449673
Energy: 1.762860852649118
Energy: 1.7562188542449673
Energy: 1.762860852649118
Energy: 1.7506453640619148
Energy: 1.7928872890150176
Energy: 1.750645364061365
Energy: 1.7928872890144678
Energy: 1.7506453640619148
Energy: 1.792887289013918
Energy: 1.733796034031173
Energy: 1.787447553604335
Energy: 1.7337960340317229
Energy: 1.7874475536037855
Energy: 1.7337960340317229
Energy: 1.787447553604335
Energy: 1.7575127672074495
Energy: 1.756156526410089
Energy: 1.7575127672074495
Energy: 1.756156526410089
Energy: 1.7575127672074495
Energy: 1.756156526410089
Energy: 1.7652186170497794
Energy: 1.779662390652586
Energy: 1.7652186170525286
Energy: 1.7796623906531355
Energy: 1.7652186170525286
Energy: 1.7796623906531355
Energy: 1.7371018491326888
Energy: 1.9995257342645465
Energy: 1.7371018491332388
Energy: 1.9995257342628971
Energy: 1.7371018491332388
Energy: 1.9995257342650965
Energy: 1.8283561906026382
Energy: 1.7503896114543331
Energy: 1.828356190603738
Energy: 1.7503896114548827
Energy: 1.8283561906031882
Energy: 1.7503896114543331
Energy: 1.7439626542441822
Energy: 1.762202685490947
Energy: 1.7439626542452822
Energy: 1.7622026854925965
Energy: 1.743962654245832
Energy: 1.7622026854914967
Energy: 1.7847517143237999
Energy: 1.8255676661456697
Energy: 1.7847517143227003
Energy: 1.8255676661456697
Energy: 1.7847517143221505
Energy: 1.8255676661456697
Energy: 1.7782366770917326
Energy: 1.7733407904108
Energy: 1.7782366770917326
Energy: 1.7733407904108
Energy: 1.7782366770922826
Energy: 1.7733407904108
Energy: 1.7782729507895867
Energy: 1.7654524194600991
Energy: 1.7782729507895867
Energy: 1.7654524194600991
Energy: 1.7782729507901367
Energy: 1.7654524194600991
Energy: 1.7245691549218773
Energy: 1.810756789392313
Energy: 1.7245691549229771
Energy: 1.8107567893917633
Energy: 1.7245691549213276
Energy: 1.810756789393413
Energy: 1.7319986595105226
Energy: 1.7786182851676389
Energy: 1.7319986595094232
Energy: 1.7786182851681889
Energy: 1.7319986595099728
Energy: 1.7786182851681889
Energy: 1.7554784647663233
Energy: 1.7559445227872623
Energy: 1.7554784647663233
Energy: 1.7559445227867125
Energy: 1.7554784647663233
Energy: 1.7559445227872623
Energy: 1.767751696936297
Energy: 1.7802157625298853
Energy: 1.767751696936297
Energy: 1.7802157625298853
Energy: 1.767751696935747
Energy: 1.7802157625298853
Energy: 1.733752965584859
Energy: 1.9665812804023752
Energy: 1.7337529655843091
Energy: 1.9665812804023752
Energy: 1.7337529655843091
Energy: 1.966581280402925
Energy: 1.8521050097739122
Energy: 1.7555719012707542
Energy: 1.8521050097739122
Energy: 1.755571901271304
Energy: 1.8521050097744622
Energy: 1.755571901271304
Energy: 1.8460156965036834
Energy: 1.7613337388485493
Energy: 1.8460156965036834
Energy: 1.7613337388485493
Energy: 1.8460156965031336
Energy: 1.7613337388485493
Energy: 1.724615479940475
Energy: 1.8309331156502782
Energy: 1.724615479940475
Energy: 1.8309331156552264
Energy: 1.724615479939925
Energy: 1.8309331156524775
Energy: 1.8116821664590557
Energy: 1.7729417739494753
Energy: 1.8116821664601555
Energy: 1.772941773950025
Energy: 1.8116821664596057
Energy: 1.772941773950025
Energy: 1.7433045954533133
Energy: 1.763237316352228
Energy: 1.7433045954527635
Energy: 1.763237316352228
Energy: 1.7433045954527635
Energy: 1.763237316352228
Energy: 1.7848691118887323
Energy: 1.8259987412415428
Energy: 1.7848691118887323
Energy: 1.8259987412420926
Energy: 1.7848691118892819
Energy: 1.8259987412415428
Energy: 1.7838146095074294
Energy: 1.770582528704594
Energy: 1.7838146095079792
Energy: 1.770582528705144
Energy: 1.7838146095074294
Energy: 1.770582528705144
Energy: 1.914122025525394
Energy: 1.755896157624073
Energy: 1.9141220255264932
Energy: 1.7558961576136263
Energy: 1.9141220255259435
Energy: 1.7558961576191245
Energy: 1.7307013425247626
Energy: 1.812819746941269
Energy: 1.7307013425242126
Energy: 1.812819746941269
Energy: 1.7307013425247626
Energy: 1.812819746940719
Energy: 1.7333149866754471
Energy: 1.780433257500348
Energy: 1.7333149866743476
Energy: 1.780433257500898
Energy: 1.7333149866743476
Energy: 1.7804332575014479
Energy: 1.85189964305508
Energy: 1.7556087814177557
Energy: 1.85189964305508
Energy: 1.7556087814188555
Energy: 1.8518996430545303
Energy: 1.7556087814161063
Energy: 1.8419350710111337
Energy: 1.7593985407936943
Energy: 1.841935071010584
Energy: 1.7593985407931445
Energy: 1.8419350710111337
Energy: 1.7593985407931445

minimum gb energy = 1.7241862460975685 eV
minimum distance =  2.25399135054157 Angstroms
sigma value = 33


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

Energy: 0.0177822020907962
Energy: 1.1293914099470441
Energy: 0.0177822020907962
Energy: 1.1293914099470441
Energy: 0.0177822020907962
Energy: 1.1293914099475009
Energy: 0.01959722579829246
Energy: 0.3982225392082971
Energy: 0.019597225797835613
Energy: 0.3982225392087286
Energy: 0.019597225797835613
Energy: 0.3982225392082971
Energy: 1.1289617077849328
Energy: 0.3977504692012048
Energy: 1.1289674133872079
Energy: 0.39775046920163637
Energy: 1.1289559111173775
Energy: 0.3977504692020931
Energy: 0.01959722579918077
Energy: 0.3982225392087286
Energy: 0.01959722579961224
Energy: 0.3982225392082971
Energy: 0.01959722579961224
Energy: 0.3982225392087286

minimum gb energy = 0.0177822020907962 eV
minimum distance =  2.50622628535609 Angstroms
sigma value = 1