Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098542809487
cohesive_energy=4.242432871546096
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.016433622634821236
Energy: 0.017088067321896327
Energy: 0.0925684961474761
Energy: 0.017088067321896327
Energy: 0.017088067321896327
Energy: 1.2128752573237431
Energy: 0.017088067321896327
Energy: 1.2128752573237431
Energy: 0.0925684961474761
Energy: 0.017088067321896327
Energy: 0.016433622634821236
Energy: 0.017088067321896327
Energy: 0.017088067321896327
Energy: 1.2128752573237431
Energy: 0.017088067321896327
Energy: 1.2128752573237431

minimum gb energy = 0.016433622634821236 eV
minimum distance =  2.48771669387597 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.9933518725720638
Energy: 1.0976103917622695
Energy: 0.8829095395478277
Energy: 1.0976103917622695
Energy: 0.9569251539159503
Energy: 1.0880557891141842
Energy: 0.9569402220760661
Energy: 1.0880557891141842
Energy: 0.8671420734754025
Energy: 1.0848146935999907
Energy: 0.9476032349273982
Energy: 1.0848146935999907
Energy: 0.9371862240607387
Energy: 1.1063035225551583
Energy: 0.9477894511316199
Energy: 1.1063035225543962
Energy: 0.9418633544361908
Energy: 1.100606032401767
Energy: 0.9401707295466215
Energy: 1.100606032401767
Energy: 0.8945430483991123
Energy: 1.2905143390156009
Energy: 0.9269258544598675
Energy: 1.2905143390148381
Energy: 0.9599022205008045
Energy: 1.0857918861905276
Energy: 0.8964217713427372
Energy: 1.0857918861905276
Energy: 0.8170856187373281
Energy: 1.0988306052543644
Energy: 0.9166933324435197
Energy: 1.0988306052543644
Energy: 0.9495692134820907
Energy: 0.9531634045043653
Energy: 0.9420216452425002
Energy: 0.95316340450589
Energy: 0.9289977223115728
Energy: 1.0850952830607326
Energy: 0.8017850904285277
Energy: 1.0850952830599705
Energy: 0.9394122219171532
Energy: 1.0447293193184235
Energy: 0.9475323038305685
Energy: 1.0447293193191858
Energy: 0.900149897275166
Energy: 1.0987103045765725
Energy: 0.9434053282997684
Energy: 1.0987103045758104
Energy: 0.9564998751273768
Energy: 1.084408171358959
Energy: 0.9591236480182854
Energy: 1.084408171358959
Energy: 0.9587483863579372
Energy: 1.092233679371512
Energy: 0.9430558949930546
Energy: 1.092233679371512
Energy: 0.9394238268767587
Energy: 1.098339694928587
Energy: 0.9487358567886699
Energy: 1.0983396949293496
Energy: 0.9495846075331892
Energy: 1.0976317465752574
Energy: 0.9483682823896269
Energy: 1.0976317465752574
Energy: 0.947806379908512
Energy: 1.0847759422341157
Energy: 0.8655784798648347
Energy: 1.0847759422341157
Energy: 0.9568560334520655
Energy: 1.0840221144272324
Energy: 0.9564509932078029
Energy: 1.0840221144272324
Energy: 0.7945318713297842
Energy: 1.099247071374371
Energy: 0.947928137346174
Energy: 1.0992470713736087
Energy: 0.9616797534859461
Energy: 0.9526176217153977
Energy: 0.9494102328804594
Energy: 0.9526176217153977
Energy: 0.9261546906398105
Energy: 1.0846587041626694
Energy: 0.835020588150856
Energy: 1.084658704161907
Energy: 0.9480211455994406
Energy: 1.1065119888055992
Energy: 0.9406245864891829
Energy: 1.106511988804837
Energy: 0.9396694928593117
Energy: 1.1008817735865826
Energy: 0.8797339774947049
Energy: 1.1008817735873446
Energy: 0.9351009211227155
Energy: 1.0845223902449175
Energy: 0.8955738051427574
Energy: 1.0845223902449175
Energy: 0.8964912592247142
Energy: 1.293941458534394
Energy: 0.9595664680665991
Energy: 1.293941458534394
Energy: 0.9377230645104762
Energy: 1.0991400226651018
Energy: 0.8806162381229532
Energy: 1.0991400226658639
Energy: 0.9459464710946771
Energy: 1.0888437064189953
Energy: 0.9473162854026
Energy: 1.088843706418233
Energy: 0.8701677420992457
Energy: 1.0839368177494824
Energy: 0.9486481985916267
Energy: 1.0839368177494824
Energy: 0.9543194643351868
Energy: 1.09473491940529
Energy: 0.9397421746025421
Energy: 1.09473491940529
Energy: 0.9625710043437795
Energy: 1.0983444621005245
Energy: 0.9001461759974683
Energy: 1.0983444621005245
Energy: 0.9616641237570552
Energy: 1.0908566344274393
Energy: 0.9548818902765684
Energy: 1.0908566344266768
Energy: 0.940310733009283
Energy: 1.0857711806093973
Energy: 0.9587785124401067
Energy: 1.0857711806093973
Energy: 0.9410814359265153
Energy: 1.1065151290247044
Energy: 0.9500983993100591
Energy: 1.106515129026229

minimum gb energy = 0.7945318713297842 eV
minimum distance =  2.28503844948826 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.0637793220515601
Energy: 1.184054577404526
Energy: 0.9417354945454246
Energy: 1.184054577405395
Energy: 1.0096251699111198
Energy: 1.121522889883058
Energy: 1.011053146649794
Energy: 1.1215228898847962
Energy: 0.9278904785499349
Energy: 1.183025237993137
Energy: 1.0055680228834907
Energy: 1.1830252379913986
Energy: 1.0039543293421413
Energy: 1.1035732071523041
Energy: 0.9446420650958732
Energy: 1.103573207151435
Energy: 1.0035844657911763
Energy: 1.1610820649379616
Energy: 0.9934059058278444
Energy: 1.1610820649397
Energy: 0.9890453569174351
Energy: 1.1610800715880252
Energy: 0.9864969243455132
Energy: 1.1610800715897633
Energy: 1.0094014553740687
Energy: 1.0144053469674064
Energy: 0.9447600929901404
Energy: 1.0144053469665373
Energy: 0.8538848472765419
Energy: 1.1833674016513152
Energy: 0.9870384614327633
Energy: 1.1833674016530533
Energy: 1.0037991621748155
Energy: 1.0255094380157517
Energy: 1.0154855147365704
Energy: 1.0255094380140133
Energy: 1.0066093899841488
Energy: 1.1833357271671043
Energy: 0.845230585755369
Energy: 1.183335727169712
Energy: 1.009107791784549
Energy: 1.104805975395393
Energy: 1.011533606808143
Energy: 1.104805975396262
Energy: 0.9305061946035051
Energy: 1.1720989980984153
Energy: 1.0046666046445727
Energy: 1.1720989980940693
Energy: 1.021205296937505
Energy: 1.1615683774270462
Energy: 0.993915718581071
Energy: 1.1615683774270462
Energy: 1.022304419199039
Energy: 1.1615546663889378
Energy: 0.9940529461159717
Energy: 1.1615546663906762
Energy: 0.9303986872083478
Energy: 1.171943100699688
Energy: 1.004883605566864
Energy: 1.1719431006979497
Energy: 1.0092223516265124
Energy: 1.1049525968525693
Energy: 1.0115502093440967
Energy: 1.1049525968534386
Energy: 1.0069566434528716
Energy: 1.1835940785034482
Energy: 0.8452495823679991
Energy: 1.183594078502579
Energy: 1.0037463568710876
Energy: 1.025569771541398
Energy: 1.0156644324749735
Energy: 1.025569771541398
Energy: 0.8536535312564345
Energy: 1.183521361452451
Energy: 0.9870034360298379
Energy: 1.1835213614498434
Energy: 1.0091851994092864
Energy: 1.1055748160802397
Energy: 0.9448355483259456
Energy: 1.1055748160802397
Energy: 0.9889220729781406
Energy: 1.1613407843413122
Energy: 0.9865239893954227
Energy: 1.1613407843439199
Energy: 1.003579302422313
Energy: 1.161057134418986
Energy: 0.9933734473485346
Energy: 1.1610571344198553
Energy: 1.0029039524771741
Energy: 1.1034623792402292
Energy: 0.944601807641479
Energy: 1.1034623792393596
Energy: 0.9278288893722202
Energy: 1.1830329162638373
Energy: 1.0051693457132798
Energy: 1.183032916262099
Energy: 1.0095982710122915
Energy: 1.1210094533337103
Energy: 1.0110159516009618
Energy: 1.1210094533337103
Energy: 1.0637793220524294
Energy: 1.1840545774036568
Energy: 0.9417354945454246
Energy: 1.184054577405395
Energy: 1.0096251699111198
Energy: 1.1215228898839271
Energy: 1.011053146649794
Energy: 1.1215228898847962
Energy: 0.9278904785499349
Energy: 1.183025237993137
Energy: 1.005568022885229
Energy: 1.1830252379913986
Energy: 1.003954329341272
Energy: 1.1035732071531732
Energy: 0.9446420650932658
Energy: 1.1035732071531732

minimum gb energy = 0.845230585755369 eV
minimum distance =  2.27466740837339 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.1312646018694872
Energy: 1.2584219714238718
Energy: 1.006896657831484
Energy: 1.2584219714238718
Energy: 1.101243667731697
Energy: 1.1873500642635315
Energy: 1.0890978595704335
Energy: 1.1873500642635315
Energy: 1.0012130630013145
Energy: 1.289610230894247
Energy: 1.0933021387321522
Energy: 1.2896102308932367
Energy: 1.0732699511684527
Energy: 1.213247295778484
Energy: 1.0238415154336078
Energy: 1.2132472957774731
Energy: 1.0239108839600948
Energy: 1.257134357272382
Energy: 1.078024745127382
Energy: 1.257134357272382
Energy: 1.0793087541764448
Energy: 1.290104029355649
Energy: 1.0997356804631875
Energy: 1.290104029355649
Energy: 1.1024297914123597
Energy: 1.098375330712329
Energy: 1.0585547814466931
Energy: 1.0983753307133395
Energy: 1.0203643527999318
Energy: 1.262338140371881
Energy: 0.9484092475395545
Energy: 1.2623381403708707
Energy: 1.0585769039343897
Energy: 1.1864272816647283
Energy: 1.1025087098162616
Energy: 1.1864272816647283
Energy: 1.0969086888684332
Energy: 1.2907767936921295
Energy: 1.0068043215875884
Energy: 1.2907767936921295
Energy: 1.0785124888635789
Energy: 1.2581035546235495
Energy: 1.089559998587069
Energy: 1.2581035546235495
Energy: 1.0301664319829684
Energy: 1.2597379363892771
Energy: 1.0888206829201477
Energy: 1.2597379363892771
Energy: 1.0926636345558505
Energy: 1.209847889321085
Energy: 1.0068913878613042
Energy: 1.209847889321085
Energy: 1.0554151585188436
Energy: 1.1001729813943526
Energy: 1.101029823906285
Energy: 1.100172981395363
Energy: 0.9589085856278221
Energy: 1.2582840859805238
Energy: 0.9461233497236791
Energy: 1.258284085981534
Energy: 1.090016985234376
Energy: 1.0985563761623496
Energy: 1.0252513776033891
Energy: 1.0985563761633599
Energy: 0.9161457954495946
Energy: 1.289550382871611
Energy: 0.9164068571906075
Energy: 1.2895503828726216
Energy: 1.0240565379394497
Energy: 1.2584766129679397
Energy: 1.0756183102427848
Energy: 1.2584766129679397
Energy: 1.0728582061811598
Energy: 1.2135709580164007
Energy: 1.0240779886044507
Energy: 1.2135709580164007
Energy: 1.0983740794212162
Energy: 1.2896729885723353
Energy: 1.0937450693844997
Energy: 1.2896729885733456
Energy: 1.1078341281278472
Energy: 1.1866433619109973
Energy: 1.0910081517561583
Energy: 1.1866433619120074
Energy: 1.1292719891282668
Energy: 1.2599687940096558
Energy: 1.0491424059478016
Energy: 1.2599687940096558
Energy: 1.1002459762187198
Energy: 1.1933871369885352
Energy: 1.0888241140837185
Energy: 1.1933871369885352
Energy: 0.9993286538594758
Energy: 1.2941309448116889
Energy: 1.09676718263854
Energy: 1.2941309448116889
Energy: 1.0890682995774867
Energy: 1.1135338620782909
Energy: 1.0235790282166397
Energy: 1.1135338620782909

minimum gb energy = 0.9161457954495946 eV
minimum distance =  2.27310180863762 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.2854015696687544
Energy: 1.22871296091137
Energy: 1.0643092375980883
Energy: 1.22871296091137
Energy: 1.1530310480767956
Energy: 1.3031179083189468
Energy: 1.190764208245365
Energy: 1.3031179083189468
Energy: 1.0842379654849543
Energy: 1.2268186734785391
Energy: 1.1896490070848869
Energy: 1.2268186734785391
Energy: 1.2147136249222854
Energy: 1.3728762073701926
Energy: 1.0366113278996425
Energy: 1.3728762073701926
Energy: 1.1866385442393286
Energy: 1.2996460335726072
Energy: 1.188128831061721
Energy: 1.2996460335726072
Energy: 0.9865408490746022
Energy: 1.212000798271004
Energy: 1.1288894903939992
Energy: 1.212000798271004
Energy: 1.2219106113496965
Energy: 1.0372694794146886
Energy: 1.0413422131009415
Energy: 1.0372694794146886
Energy: 1.067978352638719
Energy: 1.2113776658785078
Energy: 1.0320206619925685
Energy: 1.211377665879713
Energy: 1.215718895325294
Energy: 1.3032303118341189
Energy: 1.1923822480082016
Energy: 1.3032303118329134
Energy: 1.2191688465660653
Energy: 1.2132795982150093
Energy: 1.1281871249944604
Energy: 1.2132795982150093
Energy: 1.1030361703314109
Energy: 1.3355734083237356
Energy: 1.1512017749338583
Energy: 1.3355734083249406
Energy: 1.2181532699596878
Energy: 1.2153696856804144
Energy: 1.037112582193583
Energy: 1.2153696856804144
Energy: 0.9874248419262303
Energy: 1.2262510025742313
Energy: 1.0343065066449761
Energy: 1.2262510025742313
Energy: 1.108211457590465
Energy: 1.2158651084133016
Energy: 1.192780762050964
Energy: 1.2158651084120964
Energy: 0.9874057776501307
Energy: 1.2262581653230704
Energy: 1.0680490818309545
Energy: 1.2262581653230704
Energy: 1.2183837305582879
Energy: 1.2153595956596583
Energy: 1.036979964461433
Energy: 1.215359595662069
Energy: 1.1027876367973375
Energy: 1.335614195475676
Energy: 1.1891123306450118
Energy: 1.335614195475676
Energy: 1.219352791686425
Energy: 1.2132533610781349
Energy: 1.1282843860291538
Energy: 1.2132533610769296
Energy: 1.215979090315258
Energy: 1.3032248403572737
Energy: 1.192925146424269
Energy: 1.3032248403560682
Energy: 1.0681318215285016
Energy: 1.2111978576243487
Energy: 1.033082229275965
Energy: 1.211197857623143
Energy: 1.2221174019485614
Energy: 1.037460483676849
Energy: 1.0413264586626005
Energy: 1.037460483676849

minimum gb energy = 0.9865408490746022 eV
minimum distance =  2.33167805757793 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1223264411142193
Energy: 1.440596649131258
Energy: 1.2198867562891662
Energy: 1.440596649131258
Energy: 1.0966208712499286
Energy: 1.4542609465965806
Energy: 1.0731235768686487
Energy: 1.4542609465965806
Energy: 1.0752223602311395
Energy: 1.4745236367947363
Energy: 1.0728780796939348
Energy: 1.4745236367947363
Energy: 1.1180444636176377
Energy: 1.441498815864526
Energy: 1.1590089633519813
Energy: 1.441498815864526
Energy: 1.1616059295659624
Energy: 1.093850415324872
Energy: 1.0737190259422325
Energy: 1.093850415324872
Energy: 1.0790291250507598
Energy: 1.4711948107097148
Energy: 1.0784944063164414
Energy: 1.471194810708224
Energy: 1.0735864276127025
Energy: 1.278580596619965
Energy: 1.0738804205028976
Energy: 1.278580596619965
Energy: 1.159200674055479
Energy: 1.4385241148774977
Energy: 1.125197100318456
Energy: 1.4385241148774977
Energy: 1.0729370139342571
Energy: 1.2879430230860782
Energy: 1.0980307680104566
Energy: 1.2879430230860782
Energy: 1.220324723606078
Energy: 1.3123859934782194
Energy: 1.0756542846634138
Energy: 1.3123859934782194
Energy: 1.1374262275481382
Energy: 1.4406590403589332
Energy: 1.2330818994007289
Energy: 1.4406590403604238
Energy: 1.072844030646241
Energy: 1.130161711618943
Energy: 1.2247998990874691
Energy: 1.130161711618943
Energy: 1.1825184932442103
Energy: 1.4748547267702599
Energy: 1.0743053296557592
Energy: 1.4748547267702599
Energy: 1.0737199114595373
Energy: 1.440538942471617
Energy: 1.119043770652436
Energy: 1.4405389424701267
Energy: 1.07262440832752
Energy: 1.4402322021673388
Energy: 1.161425149504273
Energy: 1.4402322021673388
Energy: 1.0948124568746724
Energy: 1.4752503605407916
Energy: 1.0786508760257456
Energy: 1.4752503605407916
Energy: 1.0737491900900265
Energy: 1.1752357228224233
Energy: 1.2246877843610402
Energy: 1.1752357228209327

minimum gb energy = 1.07262440832752 eV
minimum distance =  2.32101834156872 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.3034259076338033
Energy: 1.299173585030575
Energy: 1.2994024491589333
Energy: 1.299173585030575
Energy: 1.2654880447057546
Energy: 1.268838883717759
Energy: 1.1185141876909943
Energy: 1.268838883717759
Energy: 1.1924735752036335
Energy: 1.2785133740019459
Energy: 1.1181007116781545
Energy: 1.27851337400279
Energy: 1.1217246403413323
Energy: 1.298840692576517
Energy: 1.2619673649934795
Energy: 1.2988406925739842
Energy: 1.2406785554858526
Energy: 1.367432463987574
Energy: 1.2097099442512078
Energy: 1.3674324639867295
Energy: 1.1427207063995586
Energy: 1.292692344178211
Energy: 1.1708090693644542
Energy: 1.292692344177367
Energy: 1.1248237494446902
Energy: 1.266924455160947
Energy: 1.1234200671405328
Energy: 1.266924455160947
Energy: 1.172762196362449
Energy: 1.2929728429882446
Energy: 1.1371733365575336
Energy: 1.2929728429874001
Energy: 1.1450150363390275
Energy: 1.3418772964836412
Energy: 1.2271847542939711
Energy: 1.3418772964836412
Energy: 1.2855241679487885
Energy: 1.2418879803404532
Energy: 1.1188364442353966
Energy: 1.2418879803404532
Energy: 1.1254562982672365
Energy: 1.2989909801491317
Energy: 1.197257552086361
Energy: 1.2989909801508202
Energy: 1.1407333686957328
Energy: 1.2675277499905
Energy: 1.1409292418634471
Energy: 1.2675277506242435
Energy: 1.2532129083723076
Energy: 1.298802567376254
Energy: 1.29870380465292
Energy: 1.298802567376254
Energy: 1.117926924638105
Energy: 1.4561386555851374
Energy: 1.21379879635152
Energy: 1.4561386555851374
Energy: 1.2201004468611012
Energy: 1.3491127741287556
Energy: 1.144617670085447
Energy: 1.3491127741295996
Energy: 1.1899831790955477
Energy: 1.2935392874859255
Energy: 1.1720681001426216
Energy: 1.2935392874867697
Energy: 1.122783414673118
Energy: 1.3379412337570122
Energy: 1.3272068054014634
Energy: 1.3379412337578565
Energy: 1.1965346713861875
Energy: 1.2839754226557765
Energy: 1.1425997676769533
Energy: 1.2839754226557765
Energy: 1.2121703467325677
Energy: 1.3521280901952386
Energy: 1.186266040106443
Energy: 1.3521280901952386
Energy: 1.2739036084144622
Energy: 1.2934537736529754
Energy: 1.1221433669061776
Energy: 1.2934537736529754
Energy: 1.1464566165296473
Energy: 1.2840694601973546
Energy: 1.1921318023206964
Energy: 1.2840694601981988
Energy: 1.1225983114689233
Energy: 1.2937583724225987
Energy: 1.28651298590275
Energy: 1.2937583724225987
Energy: 1.249522081191154
Energy: 1.2992777347183089
Energy: 1.1198804680949264
Energy: 1.2992777347183089
Energy: 1.2282515144454103
Energy: 1.346698778650731
Energy: 1.1932861412230225
Energy: 1.3466987786515754
Energy: 1.2964434316156594
Energy: 1.2783684633611683
Energy: 1.2498240158601919
Energy: 1.2783684633611683
Energy: 1.2813132359944528
Energy: 1.2996993781684227
Energy: 1.1212093516220711
Energy: 1.2996993781684227
Energy: 1.2119098559407675
Energy: 1.2929742378747038
Energy: 1.3333406986270342
Energy: 1.2929742378730156
Energy: 1.1709805984791406
Energy: 1.3104092167586683
Energy: 1.1935537401551983
Energy: 1.3104092167595125
Energy: 1.3280188806931703
Energy: 1.4421533862873208
Energy: 1.12440754144735
Energy: 1.442153386292386
Energy: 1.13678209492311
Energy: 1.3421441009953796
Energy: 1.1973233491086084
Energy: 1.3421441009945356

minimum gb energy = 1.117926924638105 eV
minimum distance =  2.26470543998085 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.1175662952456262
Energy: 1.1153542970855368
Energy: 1.28764673567496
Energy: 1.1153542970835932
Energy: 1.2641113679962377
Energy: 1.2289185369041977
Energy: 1.1081565310767612
Energy: 1.2289185369022542
Energy: 1.118490999924412
Energy: 1.1154910599268828
Energy: 1.1366046364394433
Energy: 1.1154910599249392
Energy: 1.1184168237731973
Energy: 1.1155955596653717
Energy: 1.136739553124863
Energy: 1.1155955596653717
Energy: 1.2640968328908246
Energy: 1.2288693673385602
Energy: 1.1075160802907527
Energy: 1.2288693673385602
Energy: 1.1175662952456262
Energy: 1.1153542970835932
Energy: 1.3241746291078236
Energy: 1.1153542970835932
Energy: 1.2641113679962377
Energy: 1.2289185369041977
Energy: 1.13688601772889
Energy: 1.2289185369022542
Energy: 1.118490999924412
Energy: 1.1154910599268828
Energy: 1.2689963688823143
Energy: 1.1154910599249392
Energy: 1.1184168237731973
Energy: 1.1155955596634282
Energy: 1.1934356073318604
Energy: 1.1155955596653717
Energy: 1.2640968328888809
Energy: 1.2288693673385602
Energy: 1.1558604868915054
Energy: 1.2288693673385602
Energy: 1.1175662952456262
Energy: 1.1153542970855368
Energy: 1.2729655913840188
Energy: 1.1153542970835932
Energy: 1.2641113679962377
Energy: 1.2289185369041977
Energy: 1.1941133155830896
Energy: 1.2289185369022542
Energy: 1.118490999924412
Energy: 1.1154910599268828
Energy: 1.2689963688959192
Energy: 1.1154910599249392

minimum gb energy = 1.1075160802907527 eV
minimum distance =  2.31025228004546 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.2310788011028586
Energy: 1.260815848512149
Energy: 1.378818183809538
Energy: 1.2608158485114296
Energy: 1.343208879546793
Energy: 1.2452075582426336
Energy: 1.1971482707796224
Energy: 1.2452075582426336
Energy: 1.147584207700765
Energy: 1.2116897040413848
Energy: 1.1639236865149427
Energy: 1.2116897040406653
Energy: 1.2050747369092556
Energy: 1.5307702682205344
Energy: 1.157876620639378
Energy: 1.530770268219815
Energy: 1.2498633478118963
Energy: 1.274551060990239
Energy: 1.1847419833672341
Energy: 1.2745510609895196
Energy: 1.2139515014800335
Energy: 1.2112892722033102
Energy: 1.2000624809159914
Energy: 1.2112892722018715
Energy: 1.3775370950743284
Energy: 1.266876788681765
Energy: 1.210336417648465
Energy: 1.2668767886810455
Energy: 1.1630607848982504
Energy: 1.5351130901273664
Energy: 1.2676390470191639
Energy: 1.535113090128086
Energy: 1.1500080352331823
Energy: 1.5455104928478705
Energy: 1.2239024823734022
Energy: 1.5455104928493093
Energy: 1.148441928507355
Energy: 1.2401333246027069
Energy: 1.1983351632750743
Energy: 1.2401333246034263
Energy: 1.1651180343701024
Energy: 1.2223707300214628
Energy: 1.3144568308936802
Energy: 1.2223707300207436
Energy: 1.3337194910114325
Energy: 1.3407269365470973
Energy: 1.1526595239092816
Energy: 1.34072693654422
Energy: 1.1495242558102217
Energy: 1.2405844161596473
Energy: 1.2958406841215437
Energy: 1.240584416157489
Energy: 1.2109182958450695
Energy: 1.5382040833055053
Energy: 1.2360938400317714
Energy: 1.5382040833055053
Energy: 1.2109370815349725
Energy: 1.377715228225516
Energy: 1.229936136250246
Energy: 1.3777152282247969
Energy: 1.1533824019101182
Energy: 1.5449431663780324
Energy: 1.1952258168291634
Energy: 1.5449431663780324
Energy: 1.2060669561917094
Energy: 1.3778343166936073
Energy: 1.1641534199744914
Energy: 1.3778343166928884
Energy: 1.1683057415379368
Energy: 1.267629792030967
Energy: 1.31370665859977
Energy: 1.267629792030967
Energy: 1.3176393183832622
Energy: 1.2400318621942388
Energy: 1.2160199598252919
Energy: 1.2400318621985549
Energy: 1.1920569224992446
Energy: 1.2585449206100108
Energy: 1.2284519553360562
Energy: 1.2585449206100108
Energy: 1.2118103371401983
Energy: 1.529346932584331
Energy: 1.2074434255915512
Energy: 1.5293469325836115
Energy: 1.228096826516732
Energy: 1.2833353221074586
Energy: 1.1479769687345884
Energy: 1.2833353221074586
Energy: 1.2188677618629016
Energy: 1.4035735092048789
Energy: 1.1502048018802271
Energy: 1.403573509205598
Energy: 1.3730845846310955
Energy: 1.205168882511157
Energy: 1.1624923547162693
Energy: 1.205168882511876
Energy: 1.1975270851433528
Energy: 1.3403504877622128
Energy: 1.4175273602800802
Energy: 1.340350487760055
Energy: 1.1787771035418562
Energy: 1.2118033086869209
Energy: 1.1479058519502456
Energy: 1.2118033086869209
Energy: 1.2113742703410426
Energy: 1.3798831107863032
Energy: 1.2046076876683582
Energy: 1.3798831107870224
Energy: 1.2528211675003216
Energy: 1.5307208071925549
Energy: 1.2051823683053082
Energy: 1.5307208071932739
Energy: 1.2027498787055826
Energy: 1.2111942111523146
Energy: 1.14648958802475
Energy: 1.2111942111515954
Energy: 1.1969376701509797
Energy: 1.3433568545359522
Energy: 1.4204139911804772
Energy: 1.3433568545366714
Energy: 1.3791925730999366
Energy: 1.2064876473701482
Energy: 1.1618544401764115
Energy: 1.206487647367271
Energy: 1.1976101554215228
Energy: 1.2698594676950736
Energy: 1.1481080579720384
Energy: 1.2698594676950736
Energy: 1.1974954228630315
Energy: 1.283705334693257
Energy: 1.147512122124166
Energy: 1.2837053346939762
Energy: 1.2028524887767404
Energy: 1.5308042145316203
Energy: 1.2046383213720315
Energy: 1.5308042145316203
Energy: 1.1845514446676713
Energy: 1.4143248599530212
Energy: 1.3773857585062834
Energy: 1.4143248599537406

minimum gb energy = 1.14648958802475 eV
minimum distance =  2.27390829032457 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.2653375500650224
Energy: 1.2655066672942592
Energy: 1.290943311717559
Energy: 1.2655066672942592
Energy: 1.303841498375275
Energy: 1.3376204207553288
Energy: 1.2111097527479222
Energy: 1.3376204207553288
Energy: 1.165892667013915
Energy: 1.2086488158527873
Energy: 1.1853670865076325
Energy: 1.2086488158527873
Energy: 1.1265056793626083
Energy: 1.4302353814900681
Energy: 1.190193609863989
Energy: 1.4302353814900681
Energy: 1.1732351485512553
Energy: 1.3104214702660109
Energy: 1.170627820792216
Energy: 1.3104214702660109
Energy: 1.1975543336849845
Energy: 1.254907953216255
Energy: 1.2188418164197607
Energy: 1.254907953216255
Energy: 1.3981337709105948
Energy: 1.352870938537407
Energy: 1.1589880473557672
Energy: 1.3528709385385482
Energy: 1.155017757873472
Energy: 1.231193476347194
Energy: 1.3700812044137087
Energy: 1.231193476347194
Energy: 1.2899810872714756
Energy: 1.2323066308954422
Energy: 1.2298102515320621
Energy: 1.2323066308954422
Energy: 1.1621286192180629
Energy: 1.2535368549107935
Energy: 1.16179521330128
Energy: 1.2535368549107935
Energy: 1.152057826632592
Energy: 1.2321688582777952
Energy: 1.258101528363081
Energy: 1.2321688582777952
Energy: 1.270043708639599
Energy: 1.428205091865334
Energy: 1.1259023918328046
Energy: 1.428205091865334
Energy: 1.1902489111622236
Energy: 1.300885940480784
Energy: 1.3672806353115416
Energy: 1.300885940480784
Energy: 1.281558110572267
Energy: 1.4083802402828443
Energy: 1.196515740706669
Energy: 1.4083802402839856
Energy: 1.1778325376216028
Energy: 1.4109671610233756
Energy: 1.3739157102752628
Energy: 1.4109671610233756
Energy: 1.2575584469974197
Energy: 1.2313535208701223
Energy: 1.1555450829670102
Energy: 1.2313535208701223
Energy: 1.2704632773478128
Energy: 1.2673450377485835
Energy: 1.166058982242439
Energy: 1.2673450377497246
Energy: 1.2177280331453386
Energy: 1.420960121480401
Energy: 1.1618219282213114
Energy: 1.420960121480401
Energy: 1.1223963072223928
Energy: 1.2313797101417228
Energy: 1.1545444054657148
Energy: 1.2313797101417228
Energy: 1.211016584470854
Energy: 1.288215088325733
Energy: 1.4436637175932645
Energy: 1.2882150883382875
Energy: 1.3058212520328933
Energy: 1.2427382544707255
Energy: 1.196613324035555
Energy: 1.2427382544718668
Energy: 1.2068936452051213
Energy: 1.3093510242375428
Energy: 1.2848388656139105
Energy: 1.3093510242375428

minimum gb energy = 1.1223963072223928 eV
minimum distance =  2.28895301721999 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.266409486896665
Energy: 1.2623714572101465
Energy: 1.3043315128243351
Energy: 1.2623714572093394
Energy: 1.3520101573481311
Energy: 1.2048611434094894
Energy: 1.2043782471509579
Energy: 1.2048611434070684
Energy: 1.1778828889493649
Energy: 1.4679586735957084
Energy: 1.1595175411170102
Energy: 1.4679586735949013
Energy: 1.1427110099600324
Energy: 1.3369520285867107
Energy: 1.2050146577357188
Energy: 1.336952028588325
Energy: 1.1831960742329783
Energy: 1.2890081702908993
Energy: 1.1614374274981751
Energy: 1.2890081702884781
Energy: 1.181124997006075
Energy: 1.2635928487801156
Energy: 1.2738859633878032
Energy: 1.2635928487793084
Energy: 1.3866629180046082
Energy: 1.4364641488843333
Energy: 1.1615713247304331
Energy: 1.43646414888514
Energy: 1.1807450316960597
Energy: 1.2632418660820766
Energy: 1.4097190792507437
Energy: 1.2632418660796556
Energy: 1.289415986920452
Energy: 1.3164828552173193
Energy: 1.2033421173946266
Energy: 1.3164828552181265
Energy: 1.1796892550351812
Energy: 1.296547463575265
Energy: 1.270454110727381
Energy: 1.296547463575265
Energy: 1.1481093270143274
Energy: 1.4672321883227137
Energy: 1.1617117516437216
Energy: 1.467232188321907
Energy: 1.2328127906859143
Energy: 1.2892683454742735
Energy: 1.158598601955169
Energy: 1.2892683454742735
Energy: 1.231305569602211
Energy: 1.263992036687726
Energy: 1.162027702012544
Energy: 1.2639920366885329
Energy: 1.1678049370366597
Energy: 1.2474092075852747
Energy: 1.1576662561657984
Energy: 1.2474092075828538
Energy: 1.180913571631125
Energy: 1.3737683174775217
Energy: 1.3903705233412722
Energy: 1.3737683174783286
Energy: 1.337083037877671
Energy: 1.2471435043720702
Energy: 1.1995279902287028
Energy: 1.2471435043752983
Energy: 1.181855059466643
Energy: 1.2895676954784645
Energy: 1.323586963399887
Energy: 1.2895676954792714
Energy: 1.1816839280796623
Energy: 1.2495301442126707
Energy: 1.1580899649505838
Energy: 1.2495301442110567
Energy: 1.1805041789195216
Energy: 1.263041229671561
Energy: 1.1619261776961205
Energy: 1.2630412296707538
Energy: 1.1793530507277465
Energy: 1.2887273497493905
Energy: 1.1586007184112401
Energy: 1.2887273497526186
Energy: 1.1474483986564274
Energy: 1.4213955793980877
Energy: 1.2036246923155947
Energy: 1.4213955793940527
Energy: 1.1799682181427993
Energy: 1.4614924910125202
Energy: 1.349924979411644
Energy: 1.461492491015748
Energy: 1.3367077269481116
Energy: 1.4319106873248293
Energy: 1.1732196173425002
Energy: 1.431910687326443
Energy: 1.2694453344313528
Energy: 1.2631458670536506
Energy: 1.2651192320975513
Energy: 1.2631458670528437
Energy: 1.2131277738745117
Energy: 1.2888804532928413
Energy: 1.1825808274701404
Energy: 1.2888804532944556
Energy: 1.1419526263482072
Energy: 1.4657386215901103
Energy: 1.1661065005675466
Energy: 1.4657386215876895
Energy: 1.1812844952156254
Energy: 1.2964371980830571
Energy: 1.1823755112557084
Energy: 1.2964371980798288
Energy: 1.143222624313543
Energy: 1.2891925475209927
Energy: 1.2062585612508376
Energy: 1.2891925475226067
Energy: 1.1770342332911257
Energy: 1.2627857958376185
Energy: 1.2293415117123097
Energy: 1.2627857958368114
Energy: 1.4033355769046014
Energy: 1.2267111262543395
Energy: 1.205824423311545
Energy: 1.2267111262535326
Energy: 1.17703282487454
Energy: 1.262971929467826
Energy: 1.3580197817295523
Energy: 1.262971929468633

minimum gb energy = 1.1419526263482072 eV
minimum distance =  2.27433387075168 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1917774765217792
Energy: 1.1973400694613252
Energy: 1.3385415472691526
Energy: 1.1973400694613252
Energy: 1.126317901632675
Energy: 1.2122533006325724
Energy: 1.214522676093401
Energy: 1.2122533006325724
Energy: 1.0796060871516429
Energy: 1.2807372267214574
Energy: 1.125501634534616
Energy: 1.2807372267214574
Energy: 1.2157015489406071
Energy: 1.2370117470440656
Energy: 1.2146435026054707
Energy: 1.2370117470446276
Energy: 1.1901765446516523
Energy: 1.2693081881561272
Energy: 1.0799007662003393
Energy: 1.269308188156377
Energy: 1.0804984053747562
Energy: 1.307032589250951
Energy: 1.0802473640039276
Energy: 1.307032589250951
Energy: 1.0799606041637353
Energy: 1.269112466134393
Energy: 1.1902147785336123
Energy: 1.269112466134112
Energy: 1.2140119184629203
Energy: 1.2376883854094596
Energy: 1.2126905903513339
Energy: 1.2376883854105527
Energy: 1.125549294133858
Energy: 1.281038669719241
Energy: 1.079599854647228
Energy: 1.2810386697195222

minimum gb energy = 1.079599854647228 eV
minimum distance =  2.30324147907522 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.1716675801041139
Energy: 1.1651400025444192
Energy: 1.311099176234886
Energy: 1.1651400025451815
Energy: 1.3965493185224127
Energy: 1.1265672834830813
Energy: 1.0965081375431103
Energy: 1.1265672834838436
Energy: 1.0936652157177416
Energy: 1.153418814571583
Energy: 1.2815087698131982
Energy: 1.1534188145723452
Energy: 1.0888304713429184
Energy: 1.2017121430466717
Energy: 1.146065325060481
Energy: 1.2017121430459092
Energy: 1.110046545191642
Energy: 1.2143913509412814
Energy: 1.3549072091450132
Energy: 1.2143913509405193
Energy: 1.115720446224925
Energy: 1.1732278727541678
Energy: 1.1217790567978583
Energy: 1.1732278727549301
Energy: 1.1041765500553633
Energy: 1.2201431611678684
Energy: 1.1058676193427954
Energy: 1.2201431611708482
Energy: 1.1073459328128163
Energy: 1.1737071187069237
Energy: 1.0907249492391229
Energy: 1.1737071187069237
Energy: 1.1340442498556593
Energy: 1.1686243271443817
Energy: 1.068421075302241
Energy: 1.1686243271428571
Energy: 1.133966590420316
Energy: 1.2108117583390383
Energy: 1.086486214187915
Energy: 1.2108117583390383
Energy: 1.0822841959652942
Energy: 1.2027813686109428
Energy: 1.097689291155284
Energy: 1.2027813686109428
Energy: 1.0866811508478027
Energy: 1.1486539493871188
Energy: 1.2497068750039269
Energy: 1.1486539493871188
Energy: 1.1220537416882743
Energy: 1.171674404697294
Energy: 1.1759687147258826
Energy: 1.171674404698056
Energy: 1.112662478628592
Energy: 1.1720965799685084
Energy: 1.3764826635017662
Energy: 1.1720965799662215
Energy: 1.3744711210333398
Energy: 1.115351449159297
Energy: 1.0977546519663584
Energy: 1.115351449159297
Energy: 1.1421895459743248
Energy: 1.1446598758963076
Energy: 1.2559162673562208
Energy: 1.144659875894783
Energy: 1.2975038002687331
Energy: 1.1210125601185257
Energy: 1.0975113746583467
Energy: 1.1210125601177634
Energy: 1.1227063971822946
Energy: 1.1720637306044175
Energy: 1.163407149686124
Energy: 1.1720637306044175
Energy: 1.1165180697366137
Energy: 1.2237471366925443
Energy: 1.11522541638903
Energy: 1.2237471366948314
Energy: 1.0848683695910257
Energy: 1.2327467435251112
Energy: 1.1513500377796377
Energy: 1.2327467435258732
Energy: 1.0723036600668285
Energy: 1.3086554669228025
Energy: 1.1456012394183708
Energy: 1.3086554669205155
Energy: 1.1110584342561443
Energy: 1.2085303902251139
Energy: 1.1347842505010843
Energy: 1.2085303902243514
Energy: 1.1080918251823224
Energy: 1.1727324177139773
Energy: 1.082016844034268
Energy: 1.1727324177147396
Energy: 1.2500559226424064
Energy: 1.2023831661280833
Energy: 1.0850756241166215
Energy: 1.2023831661280833
Energy: 1.2639003247189504
Energy: 1.299801346855631
Energy: 1.0938996832384191
Energy: 1.2998013468571556
Energy: 1.149426933684478
Energy: 1.1723422294129568
Energy: 1.1119584279980068
Energy: 1.1723422294129568
Energy: 1.1072112542547905
Energy: 1.1012171643862299
Energy: 1.2059736161022385
Energy: 1.1012171643900415
Energy: 1.0900835410801748
Energy: 1.258342535821008
Energy: 1.1417293989567556
Energy: 1.2583425358247502
Energy: 1.0881694020788133
Energy: 1.1244622935063084
Energy: 1.42811567735174
Energy: 1.124462293509358
Energy: 1.3085514132792027
Energy: 1.1717795000525466
Energy: 1.122238249052769
Energy: 1.1717795000510218
Energy: 1.1197548469080982
Energy: 1.1539615238052425
Energy: 1.1937176055204928
Energy: 1.1539615238029555
Energy: 1.2961255924888124
Energy: 1.1570476758515473
Energy: 1.0867732851249967
Energy: 1.1570476758523098
Energy: 1.1441934495223334
Energy: 1.2031316637721756
Energy: 1.0768454481747123
Energy: 1.203131663770651

minimum gb energy = 1.068421075302241 eV
minimum distance =  2.29562427419769 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.1137579878844757
Energy: 1.1102231841210843
Energy: 1.4135497705009916
Energy: 1.1102231841221386
Energy: 1.334375565658971
Energy: 1.0559821646103391
Energy: 1.0624245393306702
Energy: 1.0559821646103391
Energy: 1.0189880222394019
Energy: 1.1108528829744282
Energy: 1.2245322105269352
Energy: 1.1108528829733741
Energy: 1.0703399228525867
Energy: 1.1632900959062882
Energy: 1.060788983861126
Energy: 1.1632900959062882
Energy: 1.019886170110001
Energy: 1.2061238572857813
Energy: 1.290627225115168
Energy: 1.2061238572878894
Energy: 1.022496561668895
Energy: 1.1579781709138504
Energy: 1.060984137453548
Energy: 1.1579781709149044
Energy: 1.0207501431247805
Energy: 1.2103404894551613
Energy: 1.0803702231735346
Energy: 1.2103404894551613
Energy: 1.0204896926519684
Energy: 1.1140364211633265
Energy: 1.0809522562857807
Energy: 1.1140364211633265
Energy: 1.116753782184371
Energy: 1.1083582437675952
Energy: 1.0803069659414621
Energy: 1.1083582437697033
Energy: 1.1072869422078766
Energy: 1.108467413980449
Energy: 1.0803146838181625
Energy: 1.108467413980449
Energy: 1.0205443028012464
Energy: 1.1140644367414516
Energy: 1.0810092806441507
Energy: 1.1140644367403976
Energy: 1.020077565307242
Energy: 1.2101151109241979
Energy: 1.08037945212274
Energy: 1.2101151109273118
Energy: 1.0222056517561102
Energy: 1.158080027078954
Energy: 1.061215492088613
Energy: 1.158080027078954
Energy: 1.0197559986462006
Energy: 1.2053668277795888
Energy: 1.2955811309448975
Energy: 1.205366827780643
Energy: 1.0692331276248972
Energy: 1.1631055746323564
Energy: 1.0607844687523558
Energy: 1.1631055746334102
Energy: 1.0187812737990503
Energy: 1.1107860895175656
Energy: 1.0757363392260928
Energy: 1.1107860895186197
Energy: 1.3341867998824106
Energy: 1.0559488724202615
Energy: 1.0628415187493905
Energy: 1.0559488724181534
Energy: 1.1137579878844757
Energy: 1.1102231841210843
Energy: 1.0532326287672331
Energy: 1.1102231841221386
Energy: 1.334375565658971
Energy: 1.055982164609285
Energy: 1.0624245393306702
Energy: 1.055982164609285
Energy: 1.0189880222394019
Energy: 1.1108528829733741
Energy: 1.2245322105269352
Energy: 1.1108528829733741
Energy: 1.0703399228504786
Energy: 1.1632900959073424
Energy: 1.060788983861126
Energy: 1.1632900959062882
Energy: 1.0198861701110553
Energy: 1.2061238572889434
Energy: 1.290627225115168
Energy: 1.2061238572868354
Energy: 1.022496561668895
Energy: 1.1579781709138504
Energy: 1.060984137454602
Energy: 1.1579781709149044
Energy: 1.0207501431247805
Energy: 1.2103404894551613
Energy: 1.0803702231735346
Energy: 1.2103404894562153

minimum gb energy = 1.0187812737990503 eV
minimum distance =  2.30235282720906 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.0886182537463787
Energy: 1.0856852522182037
Energy: 1.2638871584909814
Energy: 1.085685252217552
Energy: 1.3152046401981665
Energy: 1.0687771714579315
Energy: 1.0360186103560627
Energy: 1.06877717145728
Energy: 1.0362745119036363
Energy: 1.0678759864650573
Energy: 1.3181800527154635
Energy: 1.0678759864650573
Energy: 1.0586095039966446
Energy: 1.2505616853648864
Energy: 1.0325634517724307
Energy: 1.250561685365538
Energy: 1.01774901363537
Energy: 1.1485165054846618
Energy: 1.3224724624616546
Energy: 1.1485165054859647
Energy: 1.0066852040331005
Energy: 1.268615281772015
Energy: 1.0539686327666178
Energy: 1.268615281772015
Energy: 1.0361199098331224
Energy: 1.1274391048940375
Energy: 1.092111893898736
Energy: 1.127439104893386
Energy: 1.0179641720269796
Energy: 1.2783422883326745
Energy: 1.0166438248782366
Energy: 1.278342288333326
Energy: 1.0803004259107543
Energy: 1.2794174583753914
Energy: 1.064214933391273
Energy: 1.2794174583747402
Energy: 1.0843054208911866
Energy: 1.1109625073969411
Energy: 1.0360476155023204
Energy: 1.110962507394335
Energy: 1.0367846821434197
Energy: 1.249417259450136
Energy: 1.0177833648145973
Energy: 1.2494172594507875
Energy: 1.0390674059891947
Energy: 1.1182353584933784
Energy: 1.0195432045845667
Energy: 1.118235358492727
Energy: 1.0054570628883723
Energy: 1.268885465940256
Energy: 1.0345455550124814
Energy: 1.2688854659415592
Energy: 1.0178727488423798
Energy: 1.1479973890546744
Energy: 1.1138603845844146
Energy: 1.1479973890546744
Energy: 1.020776656195592
Energy: 1.2587468080181508
Energy: 1.0940732332792107
Energy: 1.2587468080174993
Energy: 1.036300651043447
Energy: 1.06812616284844
Energy: 1.3125357154158979
Energy: 1.0681261628490915
Energy: 1.0466200079387693
Energy: 1.261047203282524
Energy: 1.0338850745916328
Energy: 1.261047203282524
Energy: 1.0316374374250854
Energy: 1.0861066458210458
Energy: 1.0328831976319388
Energy: 1.0861066458223487
Energy: 1.2005462081743223
Energy: 1.1202225250256548
Energy: 1.036884500031988
Energy: 1.120222525028261
Energy: 1.054052330875488
Energy: 1.067721336375145
Energy: 1.1967580266552342
Energy: 1.0677213363757962
Energy: 1.4557255001848057
Energy: 1.0583094451646622
Energy: 1.0344402379245954
Energy: 1.0583094451646622
Energy: 1.0349000243014572
Energy: 1.0869606507623866
Energy: 1.322981594613383
Energy: 1.086960650761735
Energy: 1.1885596053651442
Energy: 1.0503213522687391
Energy: 1.0536091170056594
Energy: 1.0503213522680876
Energy: 1.0370513755036521
Energy: 1.128366357704153
Energy: 1.2186547577964588
Energy: 1.128366357704153
Energy: 1.0464482313711427
Energy: 1.0867840344379833
Energy: 1.0318601053492036
Energy: 1.0867840344386346
Energy: 1.0354734941838981
Energy: 1.1493390466454272
Energy: 1.0508667844371082
Energy: 1.1493390466454272
Energy: 1.1794533920626167
Energy: 1.1024857597391147
Energy: 1.0370907568510055
Energy: 1.1024857597391147
Energy: 1.0970686920649473
Energy: 1.259763820104218
Energy: 1.019173591898276
Energy: 1.259763820104218
Energy: 1.1103545350184734
Energy: 1.1472135544991495
Energy: 1.018888689388421
Energy: 1.1472135544991495
Energy: 1.0357545893794322
Energy: 1.2670602243135571
Energy: 1.061047148109598
Energy: 1.2670602243135571
Energy: 1.0190370176340915
Energy: 1.147212277401892
Energy: 1.0376602229062601
Energy: 1.1472122774012403
Energy: 1.0190538948758618
Energy: 1.2504209023232253
Energy: 1.03473717064414
Energy: 1.2504209023219224
Energy: 1.0371167334974785
Energy: 1.110650867846826
Energy: 1.2136849252132065
Energy: 1.1106508678487803
Energy: 1.063098262469751
Energy: 1.2826710145756177
Energy: 1.056813461814159
Energy: 1.2826710145762692
Energy: 1.017192822778856
Energy: 1.0867214827552787
Energy: 1.050958212844853
Energy: 1.0867214827552787
Energy: 1.0882897738343107
Energy: 1.1283171119420474
Energy: 1.034736187276479
Energy: 1.128317111942699
Energy: 1.0534685217600144
Energy: 1.2699807518995618
Energy: 1.0060133534602773
Energy: 1.2699807519002133
Energy: 1.3156036716639146
Energy: 1.1493390419842129
Energy: 1.034680543508257
Energy: 1.1493390419874703

minimum gb energy = 1.0054570628883723 eV
minimum distance =  2.29937335067318 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.9478113358423029
Energy: 0.9455884118491681
Energy: 1.1632895497276192
Energy: 0.9455884118491681
Energy: 0.9501721338297481
Energy: 0.9869301582823359
Energy: 0.9536874555103688
Energy: 0.9869301582823359
Energy: 0.9535617259596849
Energy: 1.1171599292701448
Energy: 1.3729318765322402
Energy: 1.1171599292684402
Energy: 0.9230947252445189
Energy: 0.9869016139552429
Energy: 0.9536413429419703
Energy: 0.9869016139552429
Energy: 0.9526501801079972
Energy: 1.0307103899123622
Energy: 1.2809398074240443
Energy: 1.0307103899123622
Energy: 0.9495275771142045
Energy: 0.9470226951739829
Energy: 0.9507199183226726
Energy: 0.9470226951739829
Energy: 0.9530387356695462
Energy: 1.1173912994194044
Energy: 0.954099729444347
Energy: 1.1173912994194044
Energy: 0.9083805397871345
Energy: 1.1156721915009407
Energy: 0.9532066943585759
Energy: 1.115672191499236
Energy: 0.9499707084755847
Energy: 1.0313157217968623
Energy: 0.9237681147129436
Energy: 1.0313157217968623
Energy: 0.9867279169960679
Energy: 1.0248821399319157
Energy: 0.948028208710413
Energy: 1.0248821399319157
Energy: 0.942930919963536
Energy: 0.987800977863268
Energy: 0.9535694568975596
Energy: 0.987800977863268
Energy: 0.9429601594199191
Energy: 1.120616608628732
Energy: 0.9530275860705989
Energy: 1.120616608628732
Energy: 0.9486976725461694
Energy: 0.9483894388677679
Energy: 0.9069500477993709
Energy: 0.9483894388677679
Energy: 0.9498988082347183
Energy: 1.0292918048688344
Energy: 0.9498824655954199
Energy: 1.0292918048688344
Energy: 0.9147523654659467
Energy: 0.9484724456871428
Energy: 0.9490974432980147
Energy: 0.9484724456871428

minimum gb energy = 0.9069500477993709 eV
minimum distance =  2.31736048514439 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.9221312183988224
Energy: 0.8795284716714916
Energy: 1.3862393761892264
Energy: 0.8795284716722062
Energy: 1.3742658451327583
Energy: 0.9074144255555238
Energy: 0.8632939401710962
Energy: 0.9074144255548092
Energy: 0.8820365425692288
Energy: 0.8803214825018244
Energy: 1.0028736507765834
Energy: 0.8803214825046823
Energy: 0.888031198875612
Energy: 0.907321022601924
Energy: 0.8598706129500935
Energy: 0.907321022603353
Energy: 0.8897881314430843
Energy: 0.9430426360707489
Energy: 0.8897809114994014
Energy: 0.9430426360714632
Energy: 0.8687791044535993
Energy: 0.9079353554426374
Energy: 0.8945693005987592
Energy: 0.9079353554412085
Energy: 0.8898844780763541
Energy: 0.9492600702382841
Energy: 1.280189496198171
Energy: 0.9492600702382841
Energy: 0.8474163703915626
Energy: 0.9080716969751716
Energy: 0.8945370517033808
Energy: 0.9080716969780295
Energy: 0.889914436066922
Energy: 0.9484495521604526
Energy: 1.1279195317063673
Energy: 0.9484495521647394
Energy: 1.0641239455405949
Energy: 0.9691470060640888
Energy: 0.8600401496316513
Energy: 0.9691470060605165
Energy: 0.8899259337747949
Energy: 0.9699212446765477
Energy: 0.8671983034496111
Energy: 0.9699212446715465
Energy: 1.2070214293200168
Energy: 0.9690921452697829
Energy: 0.8592078818808261
Energy: 0.9690921452697829
Energy: 0.9298256034066699
Energy: 0.8997939122060237
Energy: 0.8668336356351453
Energy: 0.8997939122038804
Energy: 1.2312977384924988
Energy: 0.9696080934478254
Energy: 0.8592933321839268
Energy: 0.9696080934471109
Energy: 0.8900777792985266
Energy: 0.8803057806380074
Energy: 0.8590984455435711
Energy: 0.8803057806401507
Energy: 0.8873673827408234
Energy: 0.970180901146521
Energy: 0.861450478732002
Energy: 0.9701809011422341
Energy: 0.8811342986698185
Energy: 0.8784675948681879
Energy: 0.8635303092433377
Energy: 0.8784675948617579
Energy: 0.8780537132794418
Energy: 0.9462713344990763
Energy: 0.901973212413855
Energy: 0.9462713344962185
Energy: 0.8812072262339522
Energy: 0.9465554878688615
Energy: 0.9021752894379043
Energy: 0.946555487878864
Energy: 0.881231992910116
Energy: 0.946589007566385
Energy: 0.9021052492602013
Energy: 0.946589007566385
Energy: 0.8783732117572144
Energy: 0.946192184494297
Energy: 0.9022300546088319
Energy: 0.9461921844921537
Energy: 0.8811447347459661
Energy: 0.8784027731152456
Energy: 0.8639524847916659
Energy: 0.878402773117389
Energy: 0.8871732795981202
Energy: 0.9699476353604602
Energy: 0.8614316058574245
Energy: 0.9699476353597459
Energy: 0.8900551889597486
Energy: 0.8802178831393423
Energy: 0.8547144198666133
Energy: 0.8802178831386279
Energy: 1.2311222327690805
Energy: 0.9695041012752477
Energy: 0.8591973234893594
Energy: 0.9695041012766765
Energy: 0.928841605595149
Energy: 0.8998020523226664
Energy: 0.8673028604356997
Energy: 0.899802052320523
Energy: 1.206632774590399
Energy: 0.9691272366239618
Energy: 0.8593315007258043
Energy: 0.9691272366225329
Energy: 0.8899304797007804
Energy: 0.9701396602194988
Energy: 0.8672983036789124
Energy: 0.9701396602180699
Energy: 1.0642065100833824
Energy: 0.9692097394103375
Energy: 0.860016781039118
Energy: 0.9692097394139099
Energy: 0.8899517331176472
Energy: 0.9488031824963853
Energy: 1.186976744547353
Energy: 0.9488031824992432
Energy: 0.8526957024230138
Energy: 0.9078281574568413
Energy: 0.8946184856251346
Energy: 0.9078281574561268
Energy: 0.8901238068029396
Energy: 0.9495576919915047
Energy: 1.3451636332845738
Energy: 0.9495576919907903
Energy: 0.8642758911300549
Energy: 0.9076784768776063
Energy: 0.8944336026206823
Energy: 0.9076784768776063
Energy: 0.8897634000507315
Energy: 0.9430900423639447
Energy: 0.8776193947447846
Energy: 0.943090042359658
Energy: 0.8884022378083566
Energy: 0.9068586573161004
Energy: 0.8598561400401914
Energy: 0.906858657313957

minimum gb energy = 0.8474163703915626 eV
minimum distance =  2.32858627037223 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.8393839192910296
Energy: 0.8372635286987419
Energy: 0.7458137049647914
Energy: 0.8372635286987419
Energy: 1.362732084955307
Energy: 0.8363783521736446
Energy: 0.7737702270472229
Energy: 0.8363783521736446
Energy: 0.7694850770685056
Energy: 0.9372167836686999
Energy: 1.0845947927573616
Energy: 0.9372167836686999
Energy: 0.7734092780919792
Energy: 0.8364059071702603
Energy: 0.7741975638648415
Energy: 0.8364059071702603
Energy: 0.7734407242396093
Energy: 0.8363141577700683
Energy: 0.7744207009126782
Energy: 0.8363141577700683
Energy: 0.747074399136466
Energy: 0.8363661527142371
Energy: 0.7711357643758578
Energy: 0.8363661527142371
Energy: 0.7734207690676809
Energy: 0.8805202894979225
Energy: 1.0821262052228138
Energy: 0.8805202894979225
Energy: 0.771014617272689
Energy: 0.8378565670338468
Energy: 0.8414677869339258
Energy: 0.8378565670338468
Energy: 0.7729024895381001
Energy: 0.8362327815267913
Energy: 1.2229936083029422
Energy: 0.8362327815255621
Energy: 1.1217237071316726
Energy: 0.9263441728476687
Energy: 0.7713294472285394
Energy: 0.9263441728476687
Energy: 0.7741596657926079
Energy: 0.8802681948572355
Energy: 0.7720644001370782
Energy: 0.8802681948560063
Energy: 1.142119226273217
Energy: 0.8370425185746418
Energy: 0.7738743981424033
Energy: 0.8370425185746418
Energy: 0.7735663146547483
Energy: 0.8360098199437742
Energy: 0.7545321458470746
Energy: 0.8360098199437742
Energy: 1.0819010414636483
Energy: 0.8801757444460581
Energy: 0.772198379958494
Energy: 0.8801757444472872
Energy: 0.8424926476437152
Energy: 0.8813296034791785
Energy: 0.7721964473214099
Energy: 0.8813296034791785
Energy: 0.8348742345706031
Energy: 0.8366057929136311
Energy: 0.7741787375549068
Energy: 0.8366057929136311
Energy: 0.7732706092592696
Energy: 0.9288279847616138
Energy: 0.736372581308887
Energy: 0.9288279847616138
Energy: 0.7682911844886505
Energy: 0.8810866865387063
Energy: 0.7723356588875507
Energy: 0.8810866865399355
Energy: 0.7735852572354681
Energy: 0.8384697857793052
Energy: 0.7758636499030556
Energy: 0.8384697857793052
Energy: 0.769271956841635
Energy: 0.8362229738949803
Energy: 0.7675395691280477
Energy: 0.8362229738949803

minimum gb energy = 0.736372581308887 eV
minimum distance =  2.33533225948382 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7550548942088596
Energy: 0.7015879681406122
Energy: 1.213972497110461
Energy: 0.7015879681406122
Energy: 1.3592669417216436
Energy: 0.7261080828861638
Energy: 0.7056532689126777
Energy: 0.7261080828852038
Energy: 0.7013232802367606
Energy: 0.700281587948687
Energy: 0.6511023635046954
Energy: 0.700281587948687
Energy: 0.9127038453886891
Energy: 0.7264397303724645
Energy: 0.705818387524533
Energy: 0.7264397303724645
Energy: 0.7048216169133976
Energy: 0.7264378751021012
Energy: 0.6676120869709989
Energy: 0.7264378751011413
Energy: 0.6636881356149977
Energy: 0.7259947705629616
Energy: 0.7056175513544919
Energy: 0.7259947705629616
Energy: 0.7057670720523833
Energy: 0.7004530696379222
Energy: 0.9127981549162453
Energy: 0.7004530696379222
Energy: 0.6503243374497054
Energy: 0.7540294411609917
Energy: 0.7021766530221112
Energy: 0.7540294411629114
Energy: 0.7049293157670167
Energy: 0.726624427037347
Energy: 1.2487073387223562
Energy: 0.726624427037347
Energy: 0.6633468162627477
Energy: 0.7004174663337863
Energy: 0.7564098628590874
Energy: 0.7004174663337863
Energy: 0.7054708599844387
Energy: 0.7002885622311116
Energy: 1.1671245101594345
Energy: 0.7002885622301518
Energy: 0.9635507906637217
Energy: 0.824441475400963
Energy: 0.7021942010676268
Energy: 0.824441475400963
Energy: 0.705003700074904
Energy: 0.7264990167693143
Energy: 1.0370562873998272
Energy: 0.7264990167693143
Energy: 0.985005780692061
Energy: 0.9975848911473665
Energy: 0.7056507623380786
Energy: 0.9975848911473665
Energy: 0.7056424904170255
Energy: 0.700311375158641
Energy: 0.66377374191616
Energy: 0.7003113751576809
Energy: 0.9711080293181374
Energy: 0.8251274823188086
Energy: 0.7077555620152053
Energy: 0.8251274823197684
Energy: 0.7049112183541654
Energy: 0.7536444975661141
Energy: 0.6518335888230581
Energy: 0.7536444975670739
Energy: 0.9562192983149121
Energy: 0.7265567288718553
Energy: 0.7058366502768988
Energy: 0.7265567288718553
Energy: 0.7594515061995553
Energy: 0.7004739545620733
Energy: 0.6635437374166536
Energy: 0.7004739545620733
Energy: 1.163556331834925
Energy: 0.8281889796033323
Energy: 0.7079119951788416
Energy: 0.8281889796023725
Energy: 0.7051233815793057
Energy: 0.824113551945912
Energy: 0.6574540314497591
Energy: 0.8241135519439923
Energy: 0.6988012032412634
Energy: 0.7263463061133395
Energy: 0.706350021033109
Energy: 0.7263463061142994
Energy: 0.706174281490895
Energy: 0.7014516597386838
Energy: 0.9830378719140029
Energy: 0.7014516597377239
Energy: 0.6647979391880108
Energy: 0.8282649435447398
Energy: 0.7079492431386852
Energy: 0.8282649435447398
Energy: 0.7106184812527641
Energy: 0.8240890421777453
Energy: 0.9700446558499958
Energy: 0.8240890421777453
Energy: 0.6702797366962383
Energy: 0.7541559601703981
Energy: 0.7063695037739925
Energy: 0.7541559601694382

minimum gb energy = 0.6503243374497054 eV
minimum distance =  2.34108796080503 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0388853176331463
Energy: 0.6458497930918643
Energy: 1.1941640732019594
Energy: 0.6458497930918643
Energy: 1.3483552553801421
Energy: 0.6278996459759149
Energy: 0.6143681619396353
Energy: 0.6278996459759149
Energy: 0.6459754275329217
Energy: 0.6124318438745016
Energy: 0.5818672886340578
Energy: 0.6124318438745016
Energy: 1.0149273692236611
Energy: 0.6283984900934307
Energy: 0.6145823682526924
Energy: 0.6283984900934307
Energy: 0.6119273408730571
Energy: 0.6658000709041119
Energy: 0.596068719847049
Energy: 0.6658000709048988
Energy: 0.7987573147185036
Energy: 0.6279198481688407
Energy: 0.6142833780453797
Energy: 0.6279198481696275
Energy: 0.6137509526243304
Energy: 0.6284972848670553
Energy: 0.8848759973492447
Energy: 0.6284972848670553
Energy: 0.6027581464138798
Energy: 0.6460653631673267
Energy: 0.612443529853305
Energy: 0.6460653631673267
Energy: 0.6159878501816131
Energy: 0.6461714501717617
Energy: 1.0808991916587998
Energy: 0.6461714501733355
Energy: 0.6000225196761126
Energy: 0.6118831570917538
Energy: 0.6465129179990389
Energy: 0.6118831570925407
Energy: 0.6138105890563947
Energy: 0.6288456473404769
Energy: 1.1858987068154827
Energy: 0.62884564733969
Energy: 0.6032028653588605
Energy: 0.6455596338441306
Energy: 1.0370741154458656
Energy: 0.6455596338449175
Energy: 0.6159437371286774
Energy: 0.6476732156729045
Energy: 1.2629026943289792
Energy: 0.6476732156729045
Energy: 0.8583581044363222
Energy: 0.7095741493321205
Energy: 0.6464734670885712
Energy: 0.7095741493321205
Energy: 0.6140251680088263
Energy: 0.6285224701373893
Energy: 1.0127017615739062
Energy: 0.6285224701366023
Energy: 0.8633903891817387
Energy: 0.6451211146273853
Energy: 0.6124563312820215
Energy: 0.6451211146297461
Energy: 0.6158886868146707
Energy: 0.646588713780895
Energy: 0.9055918610462075
Energy: 0.6465887137840428
Energy: 0.8563929433560773
Energy: 0.710780891122215
Energy: 0.614401565403474
Energy: 0.7107808911230019
Energy: 0.6139498697754047
Energy: 0.64577929093022
Energy: 0.5999830217938907
Energy: 0.6457792909317938
Energy: 0.8784145967878738
Energy: 0.6451516939935911
Energy: 0.618758975134085
Energy: 0.6451516939959518
Energy: 0.648359202343662
Energy: 0.6464554018145129
Energy: 0.5907625476425016
Energy: 0.6464554017366078
Energy: 1.186187355166484
Energy: 0.6665660988212019
Energy: 0.6145081719967561
Energy: 0.6665660988219887
Energy: 1.0343393881616763
Energy: 0.6455959060638836
Energy: 0.6003592022940054
Energy: 0.6455959060646705
Energy: 1.0444631999181444
Energy: 0.6471540300812751
Energy: 0.61866140014745
Energy: 0.6471540300804881
Energy: 0.6487306524365011
Energy: 0.7073986871096221
Energy: 0.5815377362629675
Energy: 0.7073986871096221
Energy: 1.0128310141382837
Energy: 1.1714169279145306
Energy: 0.6147074886737567
Energy: 1.1714169279145306
Energy: 0.6143035611073507
Energy: 0.6451872860468938
Energy: 0.8615796740719924
Energy: 0.645187286046107
Energy: 0.628968212484858
Energy: 0.646951415428581
Energy: 0.618445946397897
Energy: 0.6469514157251068
Energy: 0.6162769160387322
Energy: 0.7080789148399691
Energy: 0.8540944150288569
Energy: 0.7080789148399691
Energy: 0.5977293794140238
Energy: 0.9483496590061651
Energy: 0.6164405184970023
Energy: 0.9483496590061651
Energy: 0.6184211468869679
Energy: 0.6453279650327826
Energy: 0.8767036569427065
Energy: 0.6453279650288481
Energy: 0.6016430635596479
Energy: 0.6471103130006066
Energy: 0.6518623108312483
Energy: 0.6471103130006066

minimum gb energy = 0.5815377362629675 eV
minimum distance =  2.33503579305344 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.9386746944268833
Energy: 0.5756563754105483
Energy: 0.8700398861021301
Energy: 0.5756563754118814
Energy: 1.3405785015185747
Energy: 0.5726584518949662
Energy: 0.5737939087316172
Energy: 0.5726584518949662
Energy: 0.5996656658199891
Energy: 0.5723396177857911
Energy: 0.529613722008154
Energy: 0.5723396177837912
Energy: 1.0497048782940561
Energy: 0.5728541117433673
Energy: 0.5739068094831906
Energy: 0.5728541117433673
Energy: 0.5718626015579212
Energy: 0.6279649999598544
Energy: 0.5435178078660119
Energy: 0.6279650016583112
Energy: 0.9028404612780301
Energy: 0.5727431716143366
Energy: 0.5737196496065711
Energy: 0.5727431716143366
Energy: 0.5736049996035207
Energy: 0.5860385193484441
Energy: 0.5580528883035198
Energy: 0.5860385193471108
Energy: 0.7289246548297763
Energy: 0.5856792751142109
Energy: 0.5738345435411659
Energy: 0.5856792751148776
Energy: 0.5749208434395244
Energy: 0.5873635934190035
Energy: 0.820010115223742
Energy: 0.5873635934190035
Energy: 0.5503800211467489
Energy: 0.572680704691118
Energy: 0.5724832986084152
Energy: 0.5726807046924511
Energy: 0.5735770423002826
Energy: 0.572551356363757
Energy: 1.0471849481045106
Energy: 0.5725513563597572
Energy: 0.544412059148118
Energy: 0.5721244395162801
Energy: 0.600125649010087
Energy: 0.5721244395162801
Energy: 0.5749813540800341
Energy: 0.5874790068209735
Energy: 1.2685587838148213
Energy: 0.5874790067437049
Energy: 0.5484566485568915
Energy: 0.5733696048094743
Energy: 0.9352113465713727
Energy: 0.5733696048014747
Energy: 0.5734659481291271
Energy: 0.5730497847825332
Energy: 1.1970516498128607
Energy: 0.5730497845526059
Energy: 0.775562623974025
Energy: 0.5720091839872042
Energy: 0.6002167869175187
Energy: 0.5720091839878708
Energy: 0.5749997582437271
Energy: 0.5868115436618647
Energy: 1.1141227659499424
Energy: 0.5868115436618647
Energy: 0.7753053145103838
Energy: 0.626141075421442
Energy: 0.572288876404856
Energy: 0.6261410754061095
Energy: 0.5737512030409901
Energy: 0.5727953131354329
Energy: 0.9061900718680236
Energy: 0.5727953131340995
Energy: 0.7695765725030599
Energy: 0.5719007459453045
Energy: 0.5740495062643144
Energy: 0.5719007459433046
Energy: 0.5748537163620502
Energy: 0.5999918682148041
Energy: 0.8102472689171716
Energy: 0.5999918682114709
Energy: 0.7855493932439972
Energy: 0.5862684047918634
Energy: 0.5768095475982532
Energy: 0.5862684047951966
Energy: 0.5735891302733067
Energy: 0.5726572773120985
Energy: 0.5477232537328136
Energy: 0.5726572773060988
Energy: 1.0970861905068987
Energy: 0.5718176918822075
Energy: 0.573799436497766
Energy: 0.5718176919022067
Energy: 0.6014345754485646
Energy: 0.606429013401852
Energy: 0.5390703229294733
Energy: 0.6064290134245174
Energy: 1.0692006410960382
Energy: 0.5861230511138271
Energy: 0.5766740974491323
Energy: 0.5861230511144937
Energy: 0.9334034615566966
Energy: 0.5727850786955221
Energy: 0.5478129490851511
Energy: 0.5727850786868559
Energy: 1.1938501954168057
Energy: 0.5725325105327408
Energy: 0.5738415885013534
Energy: 0.572532510530741
Energy: 0.6013439929180847
Energy: 0.6551943745842708
Energy: 0.5342039987512704
Energy: 0.6551943746316016
Energy: 0.9227408651541145
Energy: 0.5864366719993106
Energy: 0.5769261569544578
Energy: 0.5864366720019771
Energy: 0.5734719906889562
Energy: 0.6257313007614826
Energy: 0.7729099086525736
Energy: 0.6257313008348121
Energy: 0.9016162199307949
Energy: 0.5723401214823549
Energy: 0.5737732703392077
Energy: 0.5723401214783551
Energy: 0.574842839344476
Energy: 0.6547786105267925
Energy: 0.7677855704720039
Energy: 0.6547786105274591
Energy: 0.5649614099564495
Energy: 0.5996203274437889
Energy: 0.5767547830308374
Energy: 0.5996203274331228
Energy: 0.5649851611351996
Energy: 0.6276268978958633
Energy: 0.7833492224668659
Energy: 0.6276268979131958
Energy: 0.5483747182838644
Energy: 0.5722483001815766
Energy: 0.5753788803919032
Energy: 0.5722483001822432
Energy: 0.5751010668327676
Energy: 0.6530708579377659
Energy: 1.0946791938666656
Energy: 0.653070857935766

minimum gb energy = 0.529613722008154 eV
minimum distance =  2.34112761278448 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9569450778357294
Energy: 0.5754792622906963
Energy: 1.082167598206467
Energy: 0.5754792485981892
Energy: 1.38962980648116
Energy: 0.5603745623836718
Energy: 0.5212684525749187
Energy: 0.5603745623836718
Energy: 0.92331637213619
Energy: 0.5719393719999296
Energy: 0.6883261512022629
Energy: 0.5719393719999296
Energy: 1.1187700920361017
Energy: 0.5611118351080827
Energy: 0.5210294993138446
Energy: 0.5611118351098173
Energy: 0.644472365302258
Energy: 0.531812700199853
Energy: 0.5444962042678833
Energy: 0.5318127002004313
Energy: 0.9848778604372608
Energy: 0.5738710667529305
Energy: 0.5212430148039262
Energy: 0.5738710667535087
Energy: 0.6052825053983854
Energy: 0.5794755819445466
Energy: 0.5745433244054794
Energy: 0.5794755819445466
Energy: 0.8510039585952198
Energy: 0.5595887676233638
Energy: 0.5318714680660547
Energy: 0.559588767623942
Energy: 0.5314031921596373
Energy: 0.5395276391908161
Energy: 0.8543990332145711
Energy: 0.5395276391902379
Energy: 0.7044871936147912
Energy: 0.5728278640736344
Energy: 0.6046636692735626
Energy: 0.5728278640730562
Energy: 0.5217887232184482
Energy: 0.5600354965006491
Energy: 1.0595206259284484
Energy: 0.5600354965012272
Energy: 0.5383047262173255
Energy: 0.5593617592304533
Energy: 0.6434150002573296
Energy: 0.559361759229875
Energy: 0.5208424158395977
Energy: 0.5396755833901848
Energy: 1.178888426912195
Energy: 0.5396755833919195
Energy: 0.453839155665456
Energy: 0.5732776453131285
Energy: 0.9205042506907262
Energy: 0.5732776453090813
Energy: 0.5219666051551821
Energy: 0.56064181946475
Energy: 1.2546126744235087
Energy: 0.56064181946475
Energy: 0.45735119475968644
Energy: 0.5594384782745011
Energy: 0.8872147461175407
Energy: 0.5594384782716365
Energy: 0.5210307427085017
Energy: 0.5406554458323747
Energy: 1.3053434061594402
Energy: 0.5406554458312184
Energy: 0.6649405668690076
Energy: 0.5706022247214628
Energy: 0.9207057069982871
Energy: 0.5706022244221016
Energy: 0.5219677569521602
Energy: 0.5611889493749702
Energy: 1.118707566433297
Energy: 0.5611889493726575
Energy: 0.6682019334174623
Energy: 0.5599651852751034
Energy: 0.6431095335665965
Energy: 0.5599651852768379
Energy: 0.5215852004929042
Energy: 0.5504675136398349
Energy: 0.9843387013244818
Energy: 0.5504675136392567
Energy: 0.7414481691504428
Energy: 0.5592900522079094
Energy: 0.6047460956531763
Energy: 0.5592900522090658
Energy: 0.5330730972101501
Energy: 0.5597160713671226
Energy: 0.851394606007798
Energy: 0.5597160713688571
Energy: 0.7693077992349598
Energy: 0.5796403466545139
Energy: 0.5320518295340863
Energy: 0.5796403466533575
Energy: 0.6050756575605366
Energy: 0.5595378372673563
Energy: 0.7752927327583309
Energy: 0.5595378372673563
Energy: 1.0385353088459808
Energy: 0.5593439671292746
Energy: 0.5232744751442459
Energy: 0.5593439671315873
Energy: 0.6437341950579301
Energy: 0.5593248961339001
Energy: 0.5402815740960761
Energy: 0.5593248961304311
Energy: 1.060026225468733
Energy: 0.5793731134250898
Energy: 0.5211079261020336
Energy: 0.5793731134245117
Energy: 0.9198992838000991
Energy: 0.5705080221801321
Energy: 0.4539873465706584
Energy: 0.5705080221789757
Energy: 1.2620895870536497
Energy: 0.5597222079583258
Energy: 0.5233426103960348
Energy: 0.5597222079577477
Energy: 0.9534851873810953
Energy: 0.5708351812367477
Energy: 0.45695197057710335
Energy: 0.5708351814141674
Energy: 1.160065389224039
Energy: 0.5795831047593698
Energy: 0.5215277115400045
Energy: 0.5795831047524318
Energy: 0.9198461193188993
Energy: 0.5706340285497221
Energy: 0.4504906323736758
Energy: 0.5706340285508785
Energy: 1.1245426776260738
Energy: 0.5595272101182512
Energy: 0.5232865021773606
Energy: 0.5595272101182512
Energy: 0.6439030071216035
Energy: 0.5595717222457625
Energy: 0.6682221456166718
Energy: 0.5595717222833435
Energy: 0.8809055513969006
Energy: 0.589677809321755
Energy: 0.5226960028604535
Energy: 0.5896778083323733
Energy: 0.6051131385595538
Energy: 0.5593292447641579
Energy: 0.7466669820802844
Energy: 0.5593292447641579
Energy: 0.8510615044293399
Energy: 0.5596855494503493
Energy: 0.5347704245453371
Energy: 0.5596855494515056
Energy: 0.5331282909638994
Energy: 0.7891688118344733
Energy: 0.7694122816775258
Energy: 0.7891688118344733
Energy: 0.568481735296396
Energy: 0.5993815595181866
Energy: 0.6064880840882951
Energy: 0.5993815595176084
Energy: 0.5252243678300186
Energy: 0.5592681842756874
Energy: 1.0372710999039907
Energy: 0.5592681842751092
Energy: 0.540524204163223
Energy: 0.5592790263759795
Energy: 0.6453931167988576
Energy: 0.5592790263725105
Energy: 0.5220991952291847
Energy: 0.7888448742614822
Energy: 1.0596925274365336
Energy: 0.7888448742620603

minimum gb energy = 0.4504906323736758 eV
minimum distance =  2.29279616989393 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.018594403262114673
Energy: 0.019037643122688155
Energy: 0.7868887482646503
Energy: 0.01903764312224369
Energy: 0.7432725118827541
Energy: -0.519046864234804
Energy: -0.5189302841306535
Energy: -0.5190468642356929
Energy: 0.018594403262114673
Energy: 0.019037643122688155
Energy: 0.7868887482655392
Energy: 0.01903764312224369
Energy: 0.7432725118823098
Energy: -0.5190468642356929
Energy: -0.5189302841310979
Energy: -0.5190468642356929
Energy: 0.018594403262114673
Energy: 0.019037643122688155
Energy: 0.7868887482655392
Energy: 0.01903764312224369
Energy: 0.7432725118827541
Energy: -0.5190468642356929
Energy: -0.5189302841302583
Energy: -0.5190468642356929

minimum gb energy = -0.5190468642356929 eV
minimum distance =  2.46812761866927 Angstroms
sigma value = 1