Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
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=3.593729183077813
cohesive_energy=4.272647465988359
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: 0.016711245081534033
Energy: 0.017489327868735357
Energy: 0.3019342345307106
Energy: 0.017489327868735357
Energy: 0.017489327868735357
Energy: 0.9749793847926159
Energy: 0.01748932786810069
Energy: 0.9749793847926159
Energy: 0.30193423453130996
Energy: 0.017489327868735357
Energy: 0.016711245081534033
Energy: 0.017489327868735357
Energy: 0.017489327868735357
Energy: 0.9749793847926159
Energy: 0.017489327868735357
Energy: 0.9749793847926159

minimum gb energy = 0.016711245081534033 eV
minimum distance =  2.49304366564423 Angstroms
sigma value = 1


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

Energy: 1.1412952226505932
Energy: 1.1660623614478896
Energy: 1.1413572700520171
Energy: 1.1660623614478896
Energy: 1.0248193434765756
Energy: 1.0137819913284571
Energy: 1.0307169985420683
Energy: 1.013781991329227
Energy: 0.9961688338725775
Energy: 1.1465957140560807
Energy: 1.0457406315107147
Energy: 1.1465957140560807
Energy: 0.9961356845317132
Energy: 1.0426047813870671
Energy: 1.0141216955061205
Energy: 1.0426047627791322
Energy: 0.9989408244510957
Energy: 1.111458466187019
Energy: 1.026668700306036
Energy: 1.1114584661885585
Energy: 1.0133357776173448
Energy: 1.0060217559675453
Energy: 0.9950173302935197
Energy: 1.0060217559559996
Energy: 1.0287244698001428
Energy: 1.0935964994745895
Energy: 1.012927121678833
Energy: 1.093596499476129
Energy: 0.9946134429612781
Energy: 1.1163588667084314
Energy: 0.9804722615810274
Energy: 1.1163588667369106
Energy: 1.0134532535612433
Energy: 1.0155615904171986
Energy: 1.0040789560148873
Energy: 1.0155615904179682
Energy: 0.9935193817499307
Energy: 1.1451685032437373
Energy: 0.9825778107493314
Energy: 1.1451685032437373
Energy: 1.0149199431140987
Energy: 1.0605602427217118
Energy: 1.0137641320497848
Energy: 1.060560242723251
Energy: 1.1001162816178727
Energy: 1.1157566824628748
Energy: 1.0166830767712824
Energy: 1.115756682459796
Energy: 1.0101704000965401
Energy: 1.0585606091783035
Energy: 1.0287850482103809
Energy: 1.0585606091790731
Energy: 1.0313743011646355
Energy: 1.1632153390089373
Energy: 1.0033085400403239
Energy: 1.1632153390081676
Energy: 1.006051309388788
Energy: 1.1165676501478352
Energy: 1.0126296624906872
Energy: 1.1165676501493746
Energy: 1.0234856477583385
Energy: 1.0290171301427942
Energy: 1.0104723756507437
Energy: 1.0290171301520308
Energy: 1.0168143781839567
Energy: 1.146788793472444
Energy: 0.9971199261915542
Energy: 1.146788793472444
Energy: 1.0306720369155158
Energy: 1.057791103386311
Energy: 1.026150823325404
Energy: 1.0577911033855416
Energy: 0.9698305359888804
Energy: 1.168229979654009
Energy: 1.0205840130822943
Energy: 1.168229979654009
Energy: 1.0116920200825401
Energy: 1.0144100884178644
Energy: 1.0156292342093711
Energy: 1.014410088418634
Energy: 0.9955699738045127
Energy: 1.1465423037121907
Energy: 0.9822981431141763
Energy: 1.146542303711421
Energy: 1.014078363581181
Energy: 1.0237355899906189
Energy: 1.0056482863149652
Energy: 1.0237355899906189
Energy: 1.0050858634390307
Energy: 1.1111667008566657
Energy: 0.996316647240356
Energy: 1.1111667008566657
Energy: 1.0031521991138728
Energy: 1.094783334700881
Energy: 1.0125127858180476
Energy: 1.0947833347024207
Energy: 1.0132929700749267
Energy: 1.0060682772270335
Energy: 1.028656704148625
Energy: 1.0060682772301124
Energy: 1.0232802764876474
Energy: 1.1106639255576545
Energy: 1.009874738752469
Energy: 1.1106639255568846
Energy: 0.9950334173008731
Energy: 1.0186160893656366
Energy: 1.0129420234176578
Energy: 1.018616089364097
Energy: 0.9983736971005193
Energy: 1.146744633892477
Energy: 1.1155727144749075
Energy: 1.146744633892477
Energy: 1.0238027763433672
Energy: 1.4756511556478011
Energy: 1.0036356542178375
Energy: 1.4756511556478011
Energy: 1.1417542367113325
Energy: 1.1692227840969445
Energy: 0.9856273718285503
Energy: 1.1692227840969445
Energy: 1.0285799482071887
Energy: 1.0182179127181548
Energy: 1.0100669642511793
Energy: 1.018217912717385
Energy: 1.0080695999729012
Energy: 1.1491808026769652
Energy: 1.0156071609120965
Energy: 1.1491808026769652
Energy: 0.9992626355890223
Energy: 1.0230683824092754
Energy: 1.0171071436722732
Energy: 1.0230683824085056

minimum gb energy = 0.9698305359888804 eV
minimum distance =  2.31533305872375 Angstroms
sigma value = 1


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

Energy: 1.2092814667794396
Energy: 1.2578220469330534
Energy: 1.2120625915901357
Energy: 1.257822046932176
Energy: 1.065386434578415
Energy: 1.5124987320633705
Energy: 1.0533379096839564
Energy: 1.512498732062493
Energy: 1.0500471104430529
Energy: 1.2572652379618026
Energy: 1.0529518144042485
Energy: 1.2572652379600873
Energy: 1.0584567126532962
Energy: 1.0653308312157987
Energy: 1.051715608304682
Energy: 1.0653308312544136
Energy: 1.0587684113057814
Energy: 1.1806348053034679
Energy: 1.0466475475936996
Energy: 1.1806348054771534
Energy: 1.1871879063763071
Energy: 1.178381390191087
Energy: 1.0362493562593986
Energy: 1.178381390192842
Energy: 1.0651487140597025
Energy: 1.0657103666277754
Energy: 1.0627741176813092
Energy: 1.0657103666295307
Energy: 1.0346686623512868
Energy: 1.313937632759235
Energy: 1.03625010164138
Energy: 1.31393763276099
Energy: 1.0589586097704102
Energy: 1.079150734963414
Energy: 1.0532691405178232
Energy: 1.079150734963414
Energy: 1.059336919473907
Energy: 1.3140082878208086
Energy: 1.0761520622425993
Energy: 1.3140082878225638
Energy: 1.0652711473384928
Energy: 1.2340569700829906
Energy: 1.0678186377795422
Energy: 1.2340569700838684
Energy: 1.0477639951581357
Energy: 1.2416840898073591
Energy: 1.0537354520202724
Energy: 1.2416840898082369
Energy: 1.0783995884690147
Energy: 1.1803472957505987
Energy: 1.0463872743437292
Energy: 1.1803472957549868
Energy: 1.0780763254211476
Energy: 1.1792737849686037
Energy: 1.064742326435213
Energy: 1.179273784972992
Energy: 1.0474977548827948
Energy: 1.241622460823804
Energy: 1.053067644636205
Energy: 1.2416224608246815
Energy: 1.064700947991944
Energy: 1.2336093543091438
Energy: 1.0679896560233642
Energy: 1.2336093543108992
Energy: 1.0588000061418177
Energy: 1.3140355430145267
Energy: 1.0033327964153702
Energy: 1.3140355430145267
Energy: 1.058976151411616
Energy: 1.0783797755231044
Energy: 1.0531846302880796
Energy: 1.0783797755231044
Energy: 1.034756621521155
Energy: 1.3138651207914673
Energy: 1.035803061100735
Energy: 1.3138651207914673
Energy: 1.0646948504283202
Energy: 1.0657965978375705
Energy: 1.0518486486031482
Energy: 1.0657965978358155
Energy: 1.18719058484352
Energy: 1.178332639730211
Energy: 1.0547616260136081
Energy: 1.1783326397293334
Energy: 1.0588542942159869
Energy: 1.1797363436648156
Energy: 1.0463227211388175
Energy: 1.1797363436656931
Energy: 1.0588587463697792
Energy: 1.064752519200026
Energy: 1.0687382683821423
Energy: 1.0647525191991485
Energy: 1.0500460234115645
Energy: 1.2572382297100246
Energy: 1.0535612675345956
Energy: 1.2572382297100246
Energy: 1.0651902722130442
Energy: 1.5122185137950253
Energy: 1.0531935360632576
Energy: 1.5122185137932702
Energy: 1.2092814667776846
Energy: 1.2578220469330534
Energy: 1.110217943253469
Energy: 1.257822046932176
Energy: 1.065386434578415
Energy: 1.512498732062493
Energy: 1.0533379096839564
Energy: 1.512498732062493
Energy: 1.0500471104430529
Energy: 1.2572652379618026
Energy: 1.052951814405126
Energy: 1.257265237960965
Energy: 1.0584567126524183
Energy: 1.0653308312544136
Energy: 1.051715608304682
Energy: 1.065330831208778

minimum gb energy = 1.0033327964153702 eV
minimum distance =  2.27761594860765 Angstroms
sigma value = 25


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

Energy: 1.1822838606978396
Energy: 1.3199656101419028
Energy: 1.2960819771231444
Energy: 1.3199656101429231
Energy: 1.141423772578111
Energy: 1.1219590058631645
Energy: 1.1286300254960124
Energy: 1.121959005853983
Energy: 1.090824955355598
Energy: 1.3189530405277097
Energy: 1.125745280162954
Energy: 1.3189530405277097
Energy: 1.1091998622763328
Energy: 1.1461462237660385
Energy: 1.1263291897391536
Energy: 1.1461462237537963
Energy: 1.1266235310187873
Energy: 1.2595517360714135
Energy: 1.115239232096838
Energy: 1.2595517360714135
Energy: 1.2734821883609837
Energy: 1.3047410394221453
Energy: 1.1406964052808417
Energy: 1.3047410394201049
Energy: 1.1319761879147794
Energy: 1.1322479600463147
Energy: 1.166356334115233
Energy: 1.1322479600463147
Energy: 1.3122929952474762
Energy: 1.3213785273493281
Energy: 1.1216099493969034
Energy: 1.3213785273493281
Energy: 1.166802225104128
Energy: 1.2255640928781066
Energy: 1.1421133319782113
Energy: 1.2255640928781066
Energy: 1.1276241057744945
Energy: 1.2965352455858625
Energy: 1.0973109869005697
Energy: 1.2965352455858625
Energy: 1.1137344995877734
Energy: 1.2741171934657642
Energy: 1.1302490452681082
Energy: 1.274117193463724
Energy: 1.1143275928046716
Energy: 1.274751837947394
Energy: 1.129137991192501
Energy: 1.274751837947394
Energy: 1.125801138134519
Energy: 1.2660553711391305
Energy: 1.0960172703087534
Energy: 1.2660553711391305
Energy: 1.1677995279932223
Energy: 1.2085842672954528
Energy: 1.1403936180069807
Energy: 1.2085842673158567
Energy: 1.0643898673301042
Energy: 1.2755813569602377
Energy: 1.1193043579538495
Energy: 1.2755813569602377
Energy: 1.1282151704898664
Energy: 1.13236814620664
Energy: 1.127386593692956
Energy: 1.13236814620664
Energy: 1.0818855540595433
Energy: 1.3214390955905706
Energy: 1.0576089704259484
Energy: 1.3214390955905706
Energy: 1.1267415691238754
Energy: 1.2300048521303657
Energy: 1.110879387989969
Energy: 1.2300048521313858
Energy: 1.0941753334450275
Energy: 1.1558335774245174
Energy: 1.1255155094643874
Energy: 1.1558335774285984
Energy: 1.1409217567637444
Energy: 1.2443078960947043
Energy: 1.1287641764627994
Energy: 1.2443078961140879
Energy: 1.1465028467463827
Energy: 1.216156915682908
Energy: 1.1314249358334332
Energy: 1.216156915682908
Energy: 1.1768944392646035
Energy: 1.327698347946259
Energy: 1.1105058499220382
Energy: 1.327698347946259
Energy: 1.140448465160572
Energy: 1.3812392777012708
Energy: 1.1283183514735238
Energy: 1.3812392777175477
Energy: 1.0890368116996385
Energy: 1.3213845133870192
Energy: 1.1280648886191174
Energy: 1.3213845133859992
Energy: 1.1291046155064548
Energy: 1.1470341539874154
Energy: 1.1249586142827945
Energy: 1.1470341539945568

minimum gb energy = 1.0576089704259484 eV
minimum distance =  2.28408095769315 Angstroms
sigma value = 9


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

Energy: 1.226245510792244
Energy: 1.277918227878121
Energy: 1.3822700653416704
Energy: 1.2779182278988102
Energy: 1.239571891812396
Energy: 1.200319484757789
Energy: 1.19267490676398
Energy: 1.200319484756572
Energy: 1.1509360561532194
Energy: 1.3012892589611191
Energy: 1.17651453127012
Energy: 1.3012892598685992
Energy: 1.223809184974566
Energy: 1.2576136891508631
Energy: 1.1855713223091446
Energy: 1.257613689148429
Energy: 1.3033174683733868
Energy: 1.2818865237873736
Energy: 1.211915827929785
Energy: 1.2818865237873736
Energy: 1.1084587632950227
Energy: 1.3589871582951318
Energy: 1.2077108874976705
Energy: 1.3589871582939148
Energy: 1.2243999308510756
Energy: 1.200789786467775
Energy: 1.2005724557704391
Energy: 1.200789786466558
Energy: 1.2005960593204839
Energy: 1.3585556055396177
Energy: 1.161142400646345
Energy: 1.3585556055384007
Energy: 1.2240867671156264
Energy: 1.404807180881316
Energy: 1.212718689502712
Energy: 1.404807180753585
Energy: 1.213907498771473
Energy: 1.358013467919721
Energy: 1.1855920395968886
Energy: 1.358013467919721
Energy: 1.1689165883616348
Energy: 1.296062279200083
Energy: 1.176383852381253
Energy: 1.2960622792013003
Energy: 1.2237604541639646
Energy: 1.2999770294478126
Energy: 1.185255737267238
Energy: 1.2999770294441617
Energy: 1.1073220201855423
Energy: 1.325974546805583
Energy: 1.0939675449933597
Energy: 1.325974546793413
Energy: 1.2728181014153188
Energy: 1.212840578728446
Energy: 1.1865230032418745
Energy: 1.212840578727229
Energy: 1.1073300341969088
Energy: 1.3010182135379313
Energy: 1.2987480345723876
Energy: 1.301018213709448
Energy: 1.2230597060450308
Energy: 1.2992949349422744
Energy: 1.1856552023440992
Energy: 1.299294934913066
Energy: 1.167722697683822
Energy: 1.2956518035066493
Energy: 1.176302460605256
Energy: 1.2956518035078664
Energy: 1.2138854796853396
Energy: 1.358050838404507
Energy: 1.1853544708612453
Energy: 1.358050838404507
Energy: 1.2244859936315666
Energy: 1.4042679347922444
Energy: 1.2131009508925445
Energy: 1.4042679347934615
Energy: 1.2003981565704462
Energy: 1.3582871455280914
Energy: 1.1613219194102697
Energy: 1.3582871455280914
Energy: 1.2242099129894257
Energy: 1.2008203148697163
Energy: 1.201573503441341
Energy: 1.2008203148709335

minimum gb energy = 1.0939675449933597 eV
minimum distance =  2.35395097603253 Angstroms
sigma value = 25


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

Energy: 1.2021564220336356
Energy: 1.4263046286335568
Energy: 1.5093269774931772
Energy: 1.4263046286200112
Energy: 1.1659625109055523
Energy: 1.5699959559144716
Energy: 1.1381869571004413
Energy: 1.5699959559144716
Energy: 1.137592401027524
Energy: 1.4981367088893816
Energy: 1.1367024438536661
Energy: 1.4981367088893816
Energy: 1.2029158286919146
Energy: 1.4100935928077027
Energy: 1.3402877832968891
Energy: 1.4100935928077027
Energy: 1.2676262018010998
Energy: 1.16553585145973
Energy: 1.2371722164796837
Energy: 1.1655358514612353
Energy: 1.1416220329191207
Energy: 1.495869863289229
Energy: 1.1372207423967127
Energy: 1.495869863289229
Energy: 1.1357809053267744
Energy: 1.2930813858921288
Energy: 1.1399737177855036
Energy: 1.2930813858921288
Energy: 1.3399341377094267
Energy: 1.4132086852795867
Energy: 1.2054931952396402
Energy: 1.4132087492937364
Energy: 1.1361967494124878
Energy: 1.3543570676721934
Energy: 1.1666195110490487
Energy: 1.3543570676721934
Energy: 1.3477034439702393
Energy: 1.4700794269538502
Energy: 1.1391448256679932
Energy: 1.4700794269538502
Energy: 1.1904988348895815
Energy: 1.4586280954637312
Energy: 1.3824350904403981
Energy: 1.4586280954637312
Energy: 1.2238728786400233
Energy: 1.2730380410737376
Energy: 1.3481182715367885
Energy: 1.2730380410992899
Energy: 1.258288584499705
Energy: 1.4523823574524577
Energy: 1.1361835034978363
Energy: 1.4523823574449324
Energy: 1.222149030492741
Energy: 1.1540417513819266
Energy: 1.2019773609842546
Energy: 1.1540391037951658
Energy: 1.2445283011201493
Energy: 1.4112947386012447
Energy: 1.3376411961443277
Energy: 1.4112947386012447
Energy: 1.1653745482350855
Energy: 1.3341309210527736
Energy: 1.141126290625758
Energy: 1.3341309010967732
Energy: 1.1375346262387747
Energy: 1.2528347983961818
Energy: 1.3479563959128067
Energy: 1.2528347983961818

minimum gb energy = 1.1357809053267744 eV
minimum distance =  2.33824461027544 Angstroms
sigma value = 17


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

Energy: 1.33813927258222
Energy: 1.3846196996271436
Energy: 1.5719373682189122
Energy: 1.3846196996722822
Energy: 1.307709022915841
Energy: 1.3228600158477615
Energy: 1.1868374045501784
Energy: 1.322860015846909
Energy: 1.262640876590789
Energy: 1.4388976669742308
Energy: 1.1875028415753548
Energy: 1.4388976669733782
Energy: 1.1889113906172102
Energy: 1.4538577012784368
Energy: 1.277898588901439
Energy: 1.4538577012784368
Energy: 1.351234787164453
Energy: 1.4400742485447875
Energy: 1.2499734856992448
Energy: 1.4400742485447875
Energy: 1.2166700047166128
Energy: 1.4753686212233141
Energy: 1.2512216880808993
Energy: 1.4753686212233141
Energy: 1.1918679078104377
Energy: 1.3467845123185125
Energy: 1.1890452074806421
Energy: 1.34678451231766
Energy: 1.2423176507355107
Energy: 1.4954048686910124
Energy: 1.2145698639508824
Energy: 1.4954048686910124
Energy: 1.2193866377595837
Energy: 1.3761696155578558
Energy: 1.3349107308114807
Energy: 1.3761696155646748
Energy: 1.4225517197746023
Energy: 1.3758263616936481
Energy: 1.1882459343618355
Energy: 1.3758263616927955
Energy: 1.192847653477339
Energy: 1.3487554770345898
Energy: 1.2654182123002247
Energy: 1.3487554763691718
Energy: 1.2164751505996552
Energy: 1.325456513532737
Energy: 1.219843054426217
Energy: 1.325456513532737
Energy: 1.376351843215493
Energy: 1.331022413012751
Energy: 1.3261918245253472
Energy: 1.3310224082822957
Energy: 1.1946812018057587
Energy: 1.5375046077619474
Energy: 1.312902079896593
Energy: 1.5375046077619474
Energy: 1.3060254456611196
Energy: 1.3300047124891694
Energy: 1.2188353745113698
Energy: 1.3300047124891694
Energy: 1.2644004520346215
Energy: 1.4954980901750592
Energy: 1.2434206446165876
Energy: 1.4954980901750592
Energy: 1.188425372994641
Energy: 1.3677770285532933
Energy: 1.4335538514426984
Energy: 1.3677770285532933
Energy: 1.30318680516632
Energy: 1.3128387742692698
Energy: 1.2166806390816938
Energy: 1.3128387742692698
Energy: 1.2595032449043484
Energy: 1.3966010974477425
Energy: 1.2805725157654135
Energy: 1.3966010974460377
Energy: 1.262357223111265
Energy: 1.4030910185050134
Energy: 1.1897754355203614
Energy: 1.403091018500751
Energy: 1.2614733861242322
Energy: 1.305541909766388
Energy: 1.2616991716943018
Energy: 1.305541877339153
Energy: 1.2586321335439365
Energy: 1.3410604322298916
Energy: 1.4180746560082067
Energy: 1.3410604322452349
Energy: 1.392510689654322
Energy: 1.3261850653170366
Energy: 1.1864762933874164
Energy: 1.3261850594542395
Energy: 1.2838743775254053
Energy: 1.3968712242877344
Energy: 1.2638624841606032
Energy: 1.396871224460695
Energy: 1.3176183662513627
Energy: 1.4355492668418484
Energy: 1.2630577654125321
Energy: 1.4355492668955496
Energy: 1.3055367364450987
Energy: 1.399150259016348
Energy: 1.1880525442550418
Energy: 1.3991502590172005
Energy: 1.224119939059714
Energy: 1.341540439325104
Energy: 1.467830436271864
Energy: 1.3415404393233994
Energy: 1.2416966344336586
Energy: 1.4757685049468632
Energy: 1.2632935960975284
Energy: 1.4757685049485678
Energy: 1.4404670914868438
Energy: 1.3790360923657219
Energy: 1.1918345266969317
Energy: 1.3790360923648697
Energy: 1.2147062368478854
Energy: 1.3951898914055127
Energy: 1.3762816727064675
Energy: 1.3951898914055127

minimum gb energy = 1.1864762933874164 eV
minimum distance =  2.26936720147339 Angstroms
sigma value = 53


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

Energy: 1.1590147292312858
Energy: 1.158872043448167
Energy: 1.5829959508545692
Energy: 1.1588720434462045
Energy: 1.3424335854888039
Energy: 1.2571253224406806
Energy: 1.204617709976991
Energy: 1.2571253224406806
Energy: 1.1602810058727306
Energy: 1.3861761999817193
Energy: 1.209923896050794
Energy: 1.3861761999679827
Energy: 1.160191235732432
Energy: 1.3856210391801056
Energy: 1.2099035064168049
Energy: 1.3856210391761807
Energy: 1.3421068004276864
Energy: 1.2571841084565845
Energy: 1.204674587637475
Energy: 1.2571841084565845
Energy: 1.1590147292312858
Energy: 1.158872043448167
Energy: 1.3320875711419549
Energy: 1.158872043448167
Energy: 1.3424335854888039
Energy: 1.2571253224446055
Energy: 1.2086984730185446
Energy: 1.257125322442643
Energy: 1.1602810058727306
Energy: 1.3861761999601334
Energy: 1.372215979664855
Energy: 1.3861761999758322
Energy: 1.160191235732432
Energy: 1.3856210391781432
Energy: 1.2596683749865518
Energy: 1.3856210391801056
Energy: 1.3421068004276864
Energy: 1.2571841084565845
Energy: 1.2995858924065968
Energy: 1.2571841084565845
Energy: 1.1590147292312858
Energy: 1.158872043448167
Energy: 1.370261333844349
Energy: 1.158872043448167
Energy: 1.3424335854888039
Energy: 1.2571253224406806
Energy: 1.257273025292771
Energy: 1.2571253224406806
Energy: 1.1602810058727306
Energy: 1.3861761999914868
Energy: 1.3722159796844786
Energy: 1.3861761999758322

minimum gb energy = 1.1588720434462045 eV
minimum distance =  2.28668161159114 Angstroms
sigma value = 9


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

Energy: 1.2625140306812073
Energy: 1.399025680117653
Energy: 1.6054196230236815
Energy: 1.3990256801067587
Energy: 1.4412322845176835
Energy: 1.3076516668234688
Energy: 1.2391811444089693
Energy: 1.3076516668220162
Energy: 1.22801375875086
Energy: 1.237179359387899
Energy: 1.248924518166242
Energy: 1.2371793593893519
Energy: 1.2947588205554654
Energy: 1.4368401710486431
Energy: 1.2729359351597151
Energy: 1.4368401710486431
Energy: 1.4417954400504538
Energy: 1.3073547045828862
Energy: 1.2381252128222788
Energy: 1.3073547045814333
Energy: 1.2371254144114512
Energy: 1.2376910279476758
Energy: 1.2962259390651367
Energy: 1.237691027952034
Energy: 1.4911980916755
Energy: 1.543570473894677
Energy: 1.2770207485388312
Energy: 1.5435704738932243
Energy: 1.2460898497940847
Energy: 1.5328529938488895
Energy: 1.3590492435579067
Energy: 1.532852993848163
Energy: 1.2307291021285098
Energy: 1.4544931023551095
Energy: 1.2454170902716641
Energy: 1.454493102357289
Energy: 1.2291432129993518
Energy: 1.2991048157722886
Energy: 1.2560697717068805
Energy: 1.299104815773741
Energy: 1.2482573916107156
Energy: 1.5240976570270603
Energy: 1.4490278504305634
Energy: 1.5240976570285132
Energy: 1.4394776953661386
Energy: 1.3977370063961947
Energy: 1.2335509284319046
Energy: 1.3977369765377872
Energy: 1.2306043505733284
Energy: 1.3196437181680287
Energy: 1.402605646027333
Energy: 1.3196437181651235
Energy: 1.3002866002014315
Energy: 1.5274155740220552
Energy: 1.2687061592378566
Energy: 1.5274155740227815
Energy: 1.276399948023316
Energy: 1.37996820149094
Energy: 1.321057450152126
Energy: 1.3799682014902137
Energy: 1.234962667337138
Energy: 1.4539090033653674
Energy: 1.289389655735038
Energy: 1.4539090033639146
Energy: 1.3853617517179349
Energy: 1.3832488224213189
Energy: 1.2500563728493366
Energy: 1.38324882241914
Energy: 1.2513096756588113
Energy: 1.2976119476351031
Energy: 1.3940373564263782
Energy: 1.2976119476358294
Energy: 1.408094170089107
Energy: 1.3226934549094174
Energy: 1.2395590946386978
Energy: 1.3226934554408123
Energy: 1.2536963278442859
Energy: 1.3242605476069635
Energy: 1.3852615986216077
Energy: 1.3242605476069635
Energy: 1.3048913778123097
Energy: 1.5182963686553148
Energy: 1.2971236049386974
Energy: 1.5182963686560413
Energy: 1.3418202803416244
Energy: 1.3564483290775313
Energy: 1.2290094457326461
Energy: 1.3564483290760787
Energy: 1.246003093923182
Energy: 1.3768432840898432
Energy: 1.230766513435617
Energy: 1.376843284084099
Energy: 1.4928741504881031
Energy: 1.3829792796318712
Energy: 1.2452751571990568
Energy: 1.3829792797073412
Energy: 1.2545411091915577
Energy: 1.497378204546601
Energy: 1.5250169353584015
Energy: 1.4973782045451483
Energy: 1.2574109412731125
Energy: 1.2373024945643896
Energy: 1.2280838142293389
Energy: 1.2373024945665685
Energy: 1.3288407648430545
Energy: 1.3844868604984462
Energy: 1.293867766786965
Energy: 1.3844868604969933
Energy: 1.2754312282983737
Energy: 1.4371822619236143
Energy: 1.2943969400570805
Energy: 1.4371822619236143
Energy: 1.275417835319288
Energy: 1.2458548049201492
Energy: 1.2269489522751154
Energy: 1.2458548049216018
Energy: 1.253965147240425
Energy: 1.4979153704462709
Energy: 1.5299279612242043
Energy: 1.4979153704462709
Energy: 1.554612399528119
Energy: 1.3883642583705775
Energy: 1.244268235280744
Energy: 1.3883642634401558
Energy: 1.23744065104956
Energy: 1.3009658584080066
Energy: 1.2288790759150479
Energy: 1.3009658584072803
Energy: 1.2553866279398853
Energy: 1.3576796976613994
Energy: 1.2277900971268847
Energy: 1.3576796976606733
Energy: 1.3011597680776918
Energy: 1.528968623911981
Energy: 1.2946208350562893
Energy: 1.5289686239076232
Energy: 1.238715709608014
Energy: 1.4359206488701959
Energy: 1.4922891556967441
Energy: 1.435920648870922

minimum gb energy = 1.2269489522751154 eV
minimum distance =  2.29815515126302 Angstroms
sigma value = 73


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

Energy: 1.2435735212926746
Energy: 1.2426137012542169
Energy: 1.7128042301200277
Energy: 1.2426137012530643
Energy: 1.4350810136510181
Energy: 1.3958406039123314
Energy: 1.2754456587672505
Energy: 1.3958406039123314
Energy: 1.2597392101601927
Energy: 1.4761174805954094
Energy: 1.2641873525816631
Energy: 1.476117480594257
Energy: 1.2197357182372475
Energy: 1.3721703850816414
Energy: 1.2820789172361082
Energy: 1.3721703850816414
Energy: 1.2173389680665676
Energy: 1.3320777377998543
Energy: 1.2427947768211602
Energy: 1.3320777377998543
Energy: 1.2616781462700237
Energy: 1.4662746726034088
Energy: 1.419724166521497
Energy: 1.466274673029595
Energy: 1.5155404872803246
Energy: 1.4650795329162902
Energy: 1.271459362313531
Energy: 1.465079532915138
Energy: 1.2194862501994803
Energy: 1.242849659089393
Energy: 1.4596397748236956
Energy: 1.2428496590905451
Energy: 1.4364906512262303
Energy: 1.2432739580663683
Energy: 1.2429761368991752
Energy: 1.2432739580663683
Energy: 1.2788346449885646
Energy: 1.3152688552652467
Energy: 1.2813694017835136
Energy: 1.3152688552652467
Energy: 1.2172863148922053
Energy: 1.4585542876882003
Energy: 1.435102653746839
Energy: 1.4585542876882003
Energy: 1.4973754068939553
Energy: 1.3737450847471093
Energy: 1.219668051932126
Energy: 1.373745084748262
Energy: 1.2602476993867762
Energy: 1.3140926627018248
Energy: 1.3531631809375892
Energy: 1.3140926627018248
Energy: 1.5271402867739576
Energy: 1.353578989789621
Energy: 1.2616944822033382
Energy: 1.3535789785787726
Energy: 1.2375045118985142
Energy: 1.5314375134381972
Energy: 1.5035366105365378
Energy: 1.5314375134381972
Energy: 1.4336154996482473
Energy: 1.2431567022563417
Energy: 1.2197629087079733
Energy: 1.2431567022563417
Energy: 1.2716159350402063
Energy: 1.4632197777181661
Energy: 1.2602161003218737
Energy: 1.4632197777181661
Energy: 1.2415709497609964
Energy: 1.4749222716643537
Energy: 1.2600343156364417
Energy: 1.4749222716643537
Energy: 1.3412938773611935
Energy: 1.2430286826173536
Energy: 1.2167160565689532
Energy: 1.2430286826472887
Energy: 1.269686784150374
Energy: 1.5247760248134148
Energy: 1.5140790557758759
Energy: 1.5247760248053481
Energy: 1.7019875118072498
Energy: 1.645890874037868
Energy: 1.26009934220862
Energy: 1.645890874037868
Energy: 1.2820607625082363
Energy: 1.3532293558955049
Energy: 1.3342721840372807
Energy: 1.3532293558955049

minimum gb energy = 1.2167160565689532 eV
minimum distance =  2.3070294167496 Angstroms
sigma value = 7


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

Energy: 1.269555574857682
Energy: 1.2683527912881243
Energy: 1.7437298798589582
Energy: 1.2683527912889392
Energy: 1.4556181567981943
Energy: 1.3424068151886808
Energy: 1.2671246715828304
Energy: 1.3424068151886808
Energy: 1.2294846634204226
Energy: 1.2701095487061205
Energy: 1.2470848836641675
Energy: 1.2701095486914904
Energy: 1.2628742590254542
Energy: 1.356283130828878
Energy: 1.266651852541437
Energy: 1.356283130819952
Energy: 1.2303542819875073
Energy: 1.325681461272581
Energy: 1.2813936788143627
Energy: 1.3256814612709515
Energy: 1.2339915159426698
Energy: 1.276189053985995
Energy: 1.4167835378108562
Energy: 1.2761890540837382
Energy: 1.5112518402408428
Energy: 1.4967905863554336
Energy: 1.2874911494612968
Energy: 1.4967905863546187
Energy: 1.2333406554481168
Energy: 1.278471689666393
Energy: 1.4505435591641243
Energy: 1.278471689666393
Energy: 1.357711747219074
Energy: 1.3557401173926082
Energy: 1.259403557495903
Energy: 1.3557401173877193
Energy: 1.2341785325366388
Energy: 1.3675569222934079
Energy: 1.447510722058551
Energy: 1.3675569222934079
Energy: 1.2706410150552119
Energy: 1.4362111544646203
Energy: 1.2778616589274077
Energy: 1.436211154467065
Energy: 1.2997782638676385
Energy: 1.3264161504601015
Energy: 1.2739872065252076
Energy: 1.3264161504617313
Energy: 1.26929011873493
Energy: 1.4351932911034149
Energy: 1.27772612469754
Energy: 1.4351932911034149
Energy: 1.2663814201950254
Energy: 1.2450361761072624
Energy: 1.2727763176059215
Energy: 1.2450361761064477
Energy: 1.2415227471492851
Energy: 1.4569174202039354
Energy: 1.5163343525348185
Energy: 1.4569174202047503
Energy: 1.686476172809617
Energy: 1.2465180365901491
Energy: 1.2548104985387467
Energy: 1.2465180365917785
Energy: 1.2403118595599945
Energy: 1.3278127704101637
Energy: 1.3011013733969876
Energy: 1.327812770409349
Energy: 1.276522622267943
Energy: 1.282744346922946
Energy: 1.2733049827102154
Energy: 1.282744347086654
Energy: 1.239424374806522
Energy: 1.43561675735039
Energy: 1.277392237616801
Energy: 1.43561675735039
Energy: 1.2340203590796286
Energy: 1.3254527621245988
Energy: 1.2842760932570305
Energy: 1.3254527621229693
Energy: 1.268599386466961
Energy: 1.3618507742514387
Energy: 1.2602410150730738
Energy: 1.3618507742335122
Energy: 1.2346732945008692
Energy: 1.4207018113303418
Energy: 1.4747010015381117
Energy: 1.420701811329527
Energy: 1.4639148020004988
Energy: 1.3565876852780125
Energy: 1.2778520525587642
Energy: 1.3565876852812717
Energy: 1.2736365967589667
Energy: 1.2690682167792302
Energy: 1.4197410531824026
Energy: 1.2690682167767855
Energy: 1.3966409457460072
Energy: 1.3259750251219236
Energy: 1.287262928905733
Energy: 1.3259750251227382
Energy: 1.2631873046300337
Energy: 1.2698264753414426
Energy: 1.290343672779184
Energy: 1.2698264753300348
Energy: 1.2302048071650622
Energy: 1.369233291523708
Energy: 1.355073146346997
Energy: 1.3692332915204486
Energy: 1.263001109698308
Energy: 1.3272386818478719
Energy: 1.2664655142120016
Energy: 1.3272386818486865
Energy: 1.2284407379708242
Energy: 1.2694295399991145
Energy: 1.3586270351438783
Energy: 1.269429540003189
Energy: 1.536355148195409
Energy: 1.3001625243234325
Energy: 1.2666653932782894
Energy: 1.3001625243242474
Energy: 1.2283674716723076
Energy: 1.2721535393438574
Energy: 1.534840361023393
Energy: 1.272153539346302

minimum gb energy = 1.2283674716723076 eV
minimum distance =  2.2951397993903 Angstroms
sigma value = 29


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

Energy: 1.271384853432961
Energy: 1.1644080134288277
Energy: 1.6637391586119556
Energy: 1.1644080134285757
Energy: 1.2092785996568363
Energy: 1.2555077163998554
Energy: 1.2555455767129358
Energy: 1.2555077168766897
Energy: 1.1752856757204415
Energy: 1.3087612659008332
Energy: 1.1779678482570406
Energy: 1.3087612659013692
Energy: 1.2567172190397842
Energy: 1.2478256307693045
Energy: 1.2212806383426293
Energy: 1.2478256530566776
Energy: 1.2530474654360546
Energy: 1.2430328297839695
Energy: 1.1756634583467194
Energy: 1.2430328297839695
Energy: 1.1758483612171942
Energy: 1.3083583138026647
Energy: 1.1758897079796575
Energy: 1.3083583138007409
Energy: 1.175599555409814
Energy: 1.2432685743142482
Energy: 1.2545310721601508
Energy: 1.2432685743142482
Energy: 1.2199555889030442
Energy: 1.2435768811654413
Energy: 1.2565240652718097
Energy: 1.2435769222472175
Energy: 1.1778488234859095
Energy: 1.3091920254825864
Energy: 1.1857231052401858
Energy: 1.3091920254828702

minimum gb energy = 1.1644080134285757 eV
minimum distance =  2.31338655002905 Angstroms
sigma value = 5


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

Energy: 1.1563401778659765
Energy: 1.1694486084450677
Energy: 1.6690369954925386
Energy: 1.1694486084450677
Energy: 1.3524043996810295
Energy: 1.6217000206271133
Energy: 1.0983195250550584
Energy: 1.6217000206263439
Energy: 1.10647655282567
Energy: 1.1548319907547575
Energy: 1.3699764868624345
Energy: 1.1548319907501392
Energy: 1.0887495746689073
Energy: 1.3620010838387282
Energy: 1.1198694915469822
Energy: 1.3620010838379586
Energy: 1.1293166458242432
Energy: 1.215250374482024
Energy: 1.4051461726309293
Energy: 1.2152503744858723
Energy: 1.1399652083748808
Energy: 1.1740675775489913
Energy: 1.0981114685826847
Energy: 1.1740675775412943
Energy: 1.1061518689188623
Energy: 1.2200152632468921
Energy: 1.1147819337872318
Energy: 1.2200152632468921
Energy: 1.1045639698974064
Energy: 1.4131523777720312
Energy: 1.1087846734925757
Energy: 1.4131523777712613
Energy: 1.1292206463452903
Energy: 1.2193670007415225
Energy: 1.0959809412196444
Energy: 1.219367000742292
Energy: 1.126264796225543
Energy: 1.220805438043948
Energy: 1.0969701974534665
Energy: 1.2208054380447175
Energy: 1.121171842192004
Energy: 1.68960072865855
Energy: 1.106896234990219
Energy: 1.68960072865855
Energy: 1.1081137460539103
Energy: 1.2343616093340672
Energy: 1.1770107832655274
Energy: 1.2343616093332976
Energy: 1.1402101791893875
Energy: 1.1733473840607713
Energy: 1.1724423264867154
Energy: 1.1733473840607713
Energy: 1.1303091345626057
Energy: 1.1703228836674457
Energy: 1.488935235102943
Energy: 1.1703228836666764
Energy: 1.2696272580908512
Energy: 1.3623931214322014
Energy: 1.1069319294291389
Energy: 1.3623931214329712
Energy: 1.1157244973222984
Energy: 1.152406314293599
Energy: 1.1105571706719126
Energy: 1.1524063142943688
Energy: 1.3551962297010542
Energy: 1.3866342817249133
Energy: 1.0973054576752048
Energy: 1.3866342817249133
Energy: 1.1301791891589008
Energy: 1.173127637152678
Energy: 1.2345164092969543
Energy: 1.173127637138823
Energy: 1.2961265712636991
Energy: 1.2226973206592877
Energy: 1.1017696568209139
Energy: 1.222697320657748
Energy: 1.107359121097674
Energy: 1.471249257075497
Energy: 1.147087861621053
Energy: 1.4712492570731879
Energy: 1.0935507042907378
Energy: 1.408509125742998
Energy: 1.1230982497059072
Energy: 1.4085091257422284
Energy: 1.1299612613468386
Energy: 1.2149586186780141
Energy: 1.1340752866365449
Energy: 1.2149586186787835
Energy: 1.1012337452050813
Energy: 1.4109100390935903
Energy: 1.0926176573395796
Energy: 1.4109100390943596
Energy: 1.1741091070332217
Energy: 1.4094266007658462
Energy: 1.106969841317261
Energy: 1.4094266007635372
Energy: 1.1782345280885538
Energy: 1.1617226664716913
Energy: 1.1101243745206033
Energy: 1.161722666469382
Energy: 1.1509922298976334
Energy: 1.1709595558525692
Energy: 1.1295399867327232
Energy: 1.1709595558564176
Energy: 1.1010967172733248
Energy: 1.19422776627459
Energy: 1.3641596654680335
Energy: 1.1942277662915233
Energy: 1.142593796381624
Energy: 1.6000374344864967
Energy: 1.115727742133583
Energy: 1.6000374344933541
Energy: 1.107191036270018
Energy: 1.6381207485880414
Energy: 1.604998218715323
Energy: 1.6381207485872715
Energy: 1.2888831632881401
Energy: 1.178296758811249
Energy: 1.1301589285657805
Energy: 1.1782967588143274
Energy: 1.0948050771008486
Energy: 1.1346906164211399
Energy: 1.3235004276793703
Energy: 1.1346906164249884
Energy: 1.3546224777390705
Energy: 1.177508793320989
Energy: 1.1095848395630619
Energy: 1.1775087824774626
Energy: 1.1174126816992815
Energy: 1.5988615046500512
Energy: 1.0790082287656464
Energy: 1.5988615046500512

minimum gb energy = 1.0790082287656464 eV
minimum distance =  2.26378302637304 Angstroms
sigma value = 1


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

Energy: 1.1024354560891645
Energy: 1.1017509939078947
Energy: 1.6252719196229
Energy: 1.1017509939078947
Energy: 1.4057148316979113
Energy: 1.1244688262480977
Energy: 1.0583389603050035
Energy: 1.1244688262480977
Energy: 1.0150963241650846
Energy: 1.1022345951459829
Energy: 1.2794183505647942
Energy: 1.1022345951449186
Energy: 1.331143463135632
Energy: 1.1622746397883912
Energy: 1.0529647446422188
Energy: 1.1622746397851984
Energy: 1.0182946434406315
Energy: 1.2114615472008265
Energy: 1.390726666839523
Energy: 1.2114615471997623
Energy: 1.021164933436582
Energy: 1.1037629575577361
Energy: 1.053075363008203
Energy: 1.103762957560929
Energy: 1.0178214498390081
Energy: 1.2114785036622189
Energy: 1.0930439931045342
Energy: 1.2114785036622189
Energy: 1.018252584958285
Energy: 1.1025177853945995
Energy: 1.0741661793353798
Energy: 1.1025177852275605
Energy: 1.102744838614585
Energy: 1.102816228518171
Energy: 1.094886526483499
Energy: 1.102816228518171
Energy: 1.103190581840645
Energy: 1.1025972396286534
Energy: 1.0952946911915324
Energy: 1.1025972396297177
Energy: 1.0183809156778312
Energy: 1.1021885728732321
Energy: 1.0739246710905062
Energy: 1.1021885728721676
Energy: 1.0176015693489833
Energy: 1.2117539224778833
Energy: 1.0849850708369018
Energy: 1.2117539224778833
Energy: 1.0209659634796637
Energy: 1.1033655646674485
Energy: 1.0529017973916641
Energy: 1.1033655647865963
Energy: 1.0185451329312354
Energy: 1.2112355270819681
Energy: 1.3887196771374644
Energy: 1.2112355270830324
Energy: 1.3312649251690676
Energy: 1.1622420990513824
Energy: 1.0526250403278776
Energy: 1.1622420990524467
Energy: 1.0150291647372098
Energy: 1.1022673789063244
Energy: 1.2788175132167454
Energy: 1.1022673789063244
Energy: 1.4056842168401305
Energy: 1.1246315064885644
Energy: 1.0587358301992855
Energy: 1.1246315064598782
Energy: 1.1024354560902285
Energy: 1.1017509939078947
Energy: 1.3475012745677035
Energy: 1.1017509939078947
Energy: 1.4057148316989758
Energy: 1.1244688262480977
Energy: 1.0583389603050035
Energy: 1.1244688262460176
Energy: 1.0150963241650846
Energy: 1.1022345951459829
Energy: 1.6125416174542708
Energy: 1.1022345951459829
Energy: 1.331143463135632
Energy: 1.1622746397851984
Energy: 1.0529647446411547
Energy: 1.1622746397862627
Energy: 1.0182946434406315
Energy: 1.2114615472008265
Energy: 1.3907266668373948
Energy: 1.2114615471997623
Energy: 1.021164933436582
Energy: 1.1037629575673145
Energy: 1.053075363008203
Energy: 1.1037629575981778
Energy: 1.0178214498390081
Energy: 1.2114785036622189
Energy: 1.0930439931055982
Energy: 1.2114785036622189

minimum gb energy = 1.0150291647372098 eV
minimum distance =  2.30169694116141 Angstroms
sigma value = 17


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

Energy: 1.084117617771606
Energy: 1.0818988789740154
Energy: 1.6561142369348512
Energy: 1.0818988789746733
Energy: 1.2914238950802213
Energy: 1.276389657724442
Energy: 1.0471313707794765
Energy: 1.2763896577231264
Energy: 1.0358582067589566
Energy: 1.0640493755795852
Energy: 1.3607168325096202
Energy: 1.064049375577612
Energy: 1.2577995358424494
Energy: 1.23804780241036
Energy: 1.0274192699346425
Energy: 1.2380478024090447
Energy: 1.021356509549603
Energy: 1.149607889856807
Energy: 1.4256234538108605
Energy: 1.1496078898614117
Energy: 1.0061979576991098
Energy: 1.512813366602789
Energy: 1.0495250759106989
Energy: 1.512813366603447
Energy: 1.04884620286901
Energy: 1.1244985480153655
Energy: 1.1475721745920677
Energy: 1.1244985480153655
Energy: 1.0131397072119925
Energy: 1.2935424410093266
Energy: 1.0232366332496339
Energy: 1.2935424410093266
Energy: 1.0773865861394218
Energy: 1.331768533824487
Energy: 1.081001404816281
Energy: 1.3317685338258025
Energy: 1.0785876992972057
Energy: 1.2965390209909933
Energy: 1.04821830525144
Energy: 1.2965390209909933
Energy: 1.0352986106350865
Energy: 1.4561509042144913
Energy: 1.0131027159960102
Energy: 1.4561509042144913
Energy: 1.0375898284098413
Energy: 1.1184039466818025
Energy: 1.0215586538585784
Energy: 1.1184039466831182
Energy: 1.007925821690742
Energy: 1.4711266702110979
Energy: 1.026744813197787
Energy: 1.4711266702110979
Energy: 1.044200123850951
Energy: 1.1480893773632888
Energy: 1.0838092234391414
Energy: 1.1480893773606575
Energy: 1.014110874322099
Energy: 1.2982932286835251
Energy: 1.0930952931637659
Energy: 1.2982932286795783
Energy: 1.0348027318369915
Energy: 1.2984013642787675
Energy: 1.415737192330741
Energy: 1.2984013642787675
Energy: 1.2524270138146225
Energy: 1.2978009249832911
Energy: 1.0374222737239114
Energy: 1.2978009249885534
Energy: 1.0268827459825263
Energy: 1.0912460496992227
Energy: 1.030925708730255
Energy: 1.0912460496998804
Energy: 1.2639185012321366
Energy: 1.3083928892261945
Energy: 1.0496650085549333
Energy: 1.3083928892268524
Energy: 1.048807144897539
Energy: 1.0621036390261085
Energy: 1.2102504374033871
Energy: 1.0621036390234773
Energy: 1.4248497271325409
Energy: 1.0572981366850351
Energy: 1.0378827379465039
Energy: 1.0572981366856928
Energy: 1.025559688223618
Energy: 1.3209593569285798
Energy: 1.42385969601236
Energy: 1.3209593569285798
Energy: 1.2137203210412324
Energy: 1.2573221644419783
Energy: 1.0504490864919926
Energy: 1.2573221644406625
Energy: 1.0359880462282969
Energy: 1.127630846516705
Energy: 1.2958293813304915
Energy: 1.127630846517363
Energy: 1.0456908683048616
Energy: 1.098639855062668
Energy: 1.0252139413651904
Energy: 1.0986398550126755
Energy: 1.0271338135328518
Energy: 1.1511920399140207
Energy: 1.0378102651890604
Energy: 1.151192039919283
Energy: 1.2663475706458927
Energy: 1.4754725978973455
Energy: 1.0465772780675773
Energy: 1.4754725978980034
Energy: 1.0964465549277231
Energy: 1.3108536283665173
Energy: 1.0231963018223083
Energy: 1.310853628367175
Energy: 1.0874239400354997
Energy: 1.147880868121085
Energy: 1.0335951912140158
Energy: 1.1478808681224004
Energy: 1.0255806225755222
Energy: 1.4726302199984267
Energy: 1.0502567019478122
Energy: 1.4726302199977688
Energy: 1.0398880160204977
Energy: 1.1483239422587528
Energy: 1.056767431620893
Energy: 1.1483239422554639
Energy: 1.012493617169053
Energy: 1.454570938378743
Energy: 1.0313803263141907
Energy: 1.4545709383774275
Energy: 1.0476714981585151
Energy: 1.297763798594318
Energy: 1.2961128743399886
Energy: 1.2977637985916868
Energy: 1.0889282580362556
Energy: 1.3322770570167652
Energy: 1.0518564944136095
Energy: 1.3322770570167652
Energy: 1.0310030099017424
Energy: 1.0867479382385705
Energy: 1.0651179335372167
Energy: 1.0867479382425174
Energy: 1.1412642457550946
Energy: 1.1268371762710094
Energy: 1.0468492353235623
Energy: 1.1268371762703515
Energy: 1.050334119621707
Energy: 1.4533439273345239
Energy: 1.0084630136219075
Energy: 1.4533439273345239
Energy: 1.242475820465009
Energy: 1.152317211590288
Energy: 1.0290689641281225
Energy: 1.152317211590946

minimum gb energy = 1.0061979576991098 eV
minimum distance =  2.28975489178131 Angstroms
sigma value = 89


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

Energy: 0.930801034165746
Energy: 0.9306394374880405
Energy: 1.5557970050780279
Energy: 0.9306394374880405
Energy: 0.9346911717432563
Energy: 0.9793664898472542
Energy: 0.9472483291835105
Energy: 0.9793664898472542
Energy: 0.9450894489280344
Energy: 1.135813736554155
Energy: 1.7412534003133278
Energy: 1.135813736554155
Energy: 1.403058697535008
Energy: 0.9795682218542265
Energy: 0.9473154108447684
Energy: 0.9795682218542265
Energy: 0.931554866877785
Energy: 1.0246490872493628
Energy: 0.9509150651636756
Energy: 1.0246490872493628
Energy: 0.9315261667917162
Energy: 0.9314209342449942
Energy: 0.9351972847659087
Energy: 0.9314209342449942
Energy: 0.9452915277798911
Energy: 1.1367241926886846
Energy: 0.9455670983709157
Energy: 1.1367241926886846
Energy: 0.9153100179693928
Energy: 1.1319341778494514
Energy: 0.9475941069864425
Energy: 1.131934177844327
Energy: 0.9322802646694431
Energy: 1.0257699577990782
Energy: 0.9290325774068531
Energy: 1.0257699577990782
Energy: 0.9795252228713907
Energy: 1.0215602793419238
Energy: 0.9348769733136377
Energy: 1.0215602801384516
Energy: 0.9302921114726125
Energy: 0.9797635712384803
Energy: 0.9445078438194345
Energy: 0.9797635712384803
Energy: 0.931495873665771
Energy: 1.1324538678944684
Energy: 0.9476764721262867
Energy: 1.1324538678927472
Energy: 0.9323868552155143
Energy: 0.9326631165751715
Energy: 0.9147461759407189
Energy: 0.9326631165751715
Energy: 0.9358720605099891
Energy: 1.0222038818762753
Energy: 0.9358278644552677
Energy: 1.0222038818762753
Energy: 0.9115558157421039
Energy: 0.9324074309260569
Energy: 0.932462250555402
Energy: 0.9324074309174513

minimum gb energy = 0.9115558157421039 eV
minimum distance =  2.31780639420399 Angstroms
sigma value = 13


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

Energy: 0.9351833095688707
Energy: 0.886103490233929
Energy: 1.5842918408604678
Energy: 0.8861034902317649
Energy: 1.1779589874398901
Energy: 0.9145548380196035
Energy: 0.8745662118036798
Energy: 0.9145548380210462
Energy: 0.8869727768605743
Energy: 1.1048592407856375
Energy: 1.0857435944458067
Energy: 1.1048592407878015
Energy: 1.1048632091206467
Energy: 0.9146874267673899
Energy: 0.8691041494154192
Energy: 0.9146874267601761
Energy: 0.8986411933234779
Energy: 1.1051087324862796
Energy: 0.9546152444931404
Energy: 1.1051087324300113
Energy: 1.0799836510597183
Energy: 0.9155899686481884
Energy: 0.9057860295685038
Energy: 0.9155899686474671
Energy: 0.8949054077635874
Energy: 0.9596003017266409
Energy: 1.5180326959686434
Energy: 0.9596003017273623
Energy: 0.8681246743411204
Energy: 1.130066212524481
Energy: 0.9058330756154728
Energy: 1.130066212524481
Energy: 0.8986993830220328
Energy: 0.9589396679059756
Energy: 1.2999195071740386
Energy: 0.9589396679059756
Energy: 1.079170188932776
Energy: 1.1315475944560747
Energy: 0.8691422132575007
Energy: 1.1315475936651078
Energy: 0.8952117435535042
Energy: 0.9854681464490348
Energy: 0.9050566866916318
Energy: 0.9854681464504776
Energy: 1.3331713688793752
Energy: 0.9834958045368241
Energy: 0.8765037104251695
Energy: 0.9834958045361026
Energy: 0.9458419477289667
Energy: 0.9088984906882277
Energy: 0.9067799401576914
Energy: 0.9088984906867851
Energy: 1.3856832729398705
Energy: 0.9838011299711047
Energy: 0.8780625164678243
Energy: 0.983801129969662
Energy: 0.8931903292738186
Energy: 0.8852128974955603
Energy: 0.8751204008856577
Energy: 0.8852128974378494
Energy: 0.9215399200815235
Energy: 0.9840896465853669
Energy: 0.8798284561502702
Energy: 0.9840896465846454
Energy: 0.912009684111097
Energy: 0.8847722212825833
Energy: 0.8741883680084139
Energy: 0.8847722212861902
Energy: 0.8936447574245237
Energy: 0.9542946698949749
Energy: 0.9156489611497035
Energy: 0.9542946698956963
Energy: 0.9117558934918568
Energy: 0.9103706778852201
Energy: 0.9166372436666762
Energy: 0.910370677883056
Energy: 0.912393473329917
Energy: 0.912024148033832
Energy: 0.9181638064844291
Energy: 0.9120241480302251
Energy: 0.8946462483225319
Energy: 0.9543177795799126
Energy: 0.9167064315079805
Energy: 0.9543177795791912
Energy: 0.9122118641847349
Energy: 0.8847965043597025
Energy: 0.8742086319684363
Energy: 0.8847965043373396
Energy: 0.9206301772989529
Energy: 0.984293798063751
Energy: 0.8799380050123147
Energy: 0.984293798060144
Energy: 0.8931090327875426
Energy: 0.8852672823078256
Energy: 0.8748683989020265
Energy: 0.8852672823063827
Energy: 1.3460283213855546
Energy: 0.9837033467755913
Energy: 0.8664433208765577
Energy: 0.983703346771263
Energy: 0.9459068024752313
Energy: 0.9092297983502735
Energy: 0.9066622150127951
Energy: 0.9092297983495522
Energy: 1.332068987831909
Energy: 0.9839287433239303
Energy: 0.8667287567922377
Energy: 0.9839287431927037
Energy: 0.8962488135773714
Energy: 0.9848239478397736
Energy: 0.9051876119137564
Energy: 0.9848239478361667
Energy: 1.0792469469653334
Energy: 1.1292060946510696
Energy: 0.8694955105545232
Energy: 1.1292060946460198
Energy: 0.8976732898499984
Energy: 0.9586535055664882
Energy: 1.299875237072988
Energy: 0.9586535055607173
Energy: 0.8679205174207983
Energy: 1.1292012166548053
Energy: 0.9056783087756416
Energy: 1.1292012166266714
Energy: 0.899055418321193
Energy: 0.9593413415215349
Energy: 1.4198590876667863
Energy: 0.9593413415280274
Energy: 1.0627375141199045
Energy: 0.9153912906126352
Energy: 0.9054451221399372
Energy: 0.9153912906126352
Energy: 0.8937279558883227
Energy: 1.1039957281636286
Energy: 0.94955778101782
Energy: 1.1039957281823847
Energy: 1.101363999961856
Energy: 0.9162282395330973
Energy: 0.8692428035994605
Energy: 0.9162282395330973

minimum gb energy = 0.8664433208765577 eV
minimum distance =  2.32447076432137 Angstroms
sigma value = 37


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

Energy: 1.0641258480396705
Energy: 0.888162712192361
Energy: 1.515577334260375
Energy: 0.8881627121936021
Energy: 1.073647397773041
Energy: 0.8538108324165263
Energy: 0.8093925192617797
Energy: 0.8538108324152853
Energy: 1.0005106994705826
Energy: 1.1983223265081648
Energy: 1.1680809982345874
Energy: 1.1983223265069236
Energy: 0.9965207492617147
Energy: 0.8544423534784963
Energy: 0.8168351106773749
Energy: 0.8544423534784963
Energy: 0.8149834953093771
Energy: 0.8534723543355512
Energy: 1.039315193486411
Energy: 0.8534723543367924
Energy: 0.8230088920708503
Energy: 0.8540326465803316
Energy: 1.0028947325996804
Energy: 0.8540326465803316
Energy: 0.7974616771407224
Energy: 0.9209052437573962
Energy: 1.4102087692933305
Energy: 0.9209052437722896
Energy: 0.7903652764852221
Energy: 0.8546779984347352
Energy: 0.8572295686137298
Energy: 0.8546779984359764
Energy: 0.81021754965453
Energy: 0.8535084768169547
Energy: 1.3999432052744623
Energy: 0.8535084768169547
Energy: 1.168122486379024
Energy: 1.1899392768464536
Energy: 1.0025778925610551
Energy: 1.1899392768476948
Energy: 0.814568092335299
Energy: 0.9434839226599173
Energy: 1.018827165944408
Energy: 0.9434839226586762
Energy: 1.1897862906926608
Energy: 0.8536778269174369
Energy: 0.8178826510475165
Energy: 0.8536778269174369
Energy: 1.0006563059062663
Energy: 0.8536538747330022
Energy: 0.8220139285527643
Energy: 0.8536538747330022
Energy: 1.4044225257286593
Energy: 0.9053009190562267
Energy: 0.7964270249880063
Energy: 0.905300919058709
Energy: 1.0628385231024893
Energy: 0.9058753320042879
Energy: 0.8089664353163212
Energy: 0.9058753320042879
Energy: 1.0661771497119223
Energy: 0.8537547588569937
Energy: 0.8091766610877882
Energy: 0.8537547588582347
Energy: 1.000523839912893
Energy: 0.952380799268324
Energy: 0.7784040220176209
Energy: 0.9523807992670829
Energy: 1.008109580998741
Energy: 0.9450256402382333
Energy: 0.8144557062505627
Energy: 0.9450256402394744
Energy: 0.8145767865095414
Energy: 0.8546284080643027
Energy: 0.8113796833916709
Energy: 0.8546284080643027
Energy: 0.8112129153215618
Energy: 0.8542258095879306
Energy: 1.0004148979280914
Energy: 0.8542258095891718

minimum gb energy = 0.7784040220176209 eV
minimum distance =  2.32489873789725 Angstroms
sigma value = 25


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

Energy: 0.7968707002218602
Energy: 0.7432344078176262
Energy: 1.4549868633363352
Energy: 0.7432344077236627
Energy: 1.5385159843312621
Energy: 0.7669572968749797
Energy: 0.7450722456108089
Energy: 0.7669572968749797
Energy: 0.7384538738775643
Energy: 0.7382116609346455
Energy: 1.4127473062254727
Energy: 0.7382116609346455
Energy: 1.0147434785113385
Energy: 0.7670400358180439
Energy: 0.7453075653650849
Energy: 0.7670400358180439
Energy: 0.7446082929882512
Energy: 0.7673014393437447
Energy: 0.752094585769156
Energy: 0.7673014393447138
Energy: 0.7084003369153158
Energy: 0.7666204786271983
Energy: 0.7448734617201079
Energy: 0.7666204786213833
Energy: 0.7455528185215127
Energy: 0.7388453740172993
Energy: 0.7878495277013262
Energy: 0.7388453740153612
Energy: 0.9732071692117931
Energy: 0.7975236556750813
Energy: 0.7399363526699105
Energy: 0.7975236557283407
Energy: 0.7447748397698531
Energy: 0.7667130590999178
Energy: 1.4250360516417204
Energy: 0.7667130592384184
Energy: 0.7091243829441147
Energy: 0.7391564915210297
Energy: 0.7982723400874008
Energy: 0.7391564915219988
Energy: 0.7455833571208482
Energy: 0.7387052728505242
Energy: 1.342918261289724
Energy: 0.7387052728505242
Energy: 1.0108273203465412
Energy: 1.0592470331747457
Energy: 0.7398888085018227
Energy: 1.0592470331776531
Energy: 0.74389141998355
Energy: 0.7665573741067229
Energy: 1.1868223979801042
Energy: 0.766557374107692
Energy: 1.0275168654906273
Energy: 0.7383852550100226
Energy: 0.744595816161842
Energy: 0.7383852550109917
Energy: 0.7454196922666162
Energy: 0.7389477037062583
Energy: 0.709457423391356
Energy: 0.7389477037052892
Energy: 1.0184850761343933
Energy: 0.8732268307465524
Energy: 0.744075706537144
Energy: 0.8732268307475216
Energy: 0.7450051742149093
Energy: 0.7977882957361797
Energy: 0.7016753464380778
Energy: 0.7977882957352105
Energy: 1.071682862605234
Energy: 0.7668574725473046
Energy: 0.7450983085886537
Energy: 0.7668574725482737
Energy: 0.8038096742230443
Energy: 0.7383601965318696
Energy: 0.7094654570474221
Energy: 0.7383601965328388
Energy: 1.3323185284430854
Energy: 0.8734273508806554
Energy: 0.7442953961233607
Energy: 0.873427350897131
Energy: 0.744816933703708
Energy: 1.0605004432324752
Energy: 0.7050581218704277
Energy: 1.0605004432460434
Energy: 0.7436740471719652
Energy: 0.7676402743794059
Energy: 0.74590036949015
Energy: 0.7676402743764984
Energy: 0.7454384875046857
Energy: 1.039586408726367
Energy: 1.0258482344210516
Energy: 1.0395864087273363
Energy: 0.709121918397886
Energy: 0.8754092532655066
Energy: 0.7437141823530504
Energy: 0.8754092532655066
Energy: 0.7439395301549384
Energy: 0.8727456996927608
Energy: 1.0252002336064099
Energy: 0.8727456996946991
Energy: 0.7083161819472943
Energy: 0.7972745452540126
Energy: 0.7459677797330345
Energy: 0.7972745452530435

minimum gb energy = 0.7016753464380778 eV
minimum distance =  2.32478466017898 Angstroms
sigma value = 41


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

Energy: 1.1541746681571796
Energy: 0.6985116651421266
Energy: 1.423189172662927
Energy: 0.6985116651437157
Energy: 1.542525150373782
Energy: 0.6798814428862491
Energy: 0.6653524640415691
Energy: 0.6798814428854546
Energy: 0.6963728537576491
Energy: 0.6638063416500185
Energy: 1.3164734538316727
Energy: 0.6638063416396894
Energy: 1.1632504762273224
Energy: 0.6790079092948039
Energy: 0.665558980405039
Energy: 0.6790079092955985
Energy: 0.6612844433078512
Energy: 0.719685270337371
Energy: 0.6809629064136238
Energy: 0.7196852707424446
Energy: 0.9025172071488965
Energy: 0.6787422997366633
Energy: 0.6655132927594919
Energy: 0.6787422997509652
Energy: 0.6645462540032244
Energy: 0.6781764850359843
Energy: 0.7041068546040747
Energy: 0.6781764850375732
Energy: 0.6452169136271944
Energy: 0.6973363719347375
Energy: 0.6619509198019407
Energy: 0.6973363719347375
Energy: 0.6680745524468614
Energy: 0.7007260595981565
Energy: 1.0637619473349194
Energy: 0.7007260601929819
Energy: 0.6426617219964682
Energy: 0.6619603077464309
Energy: 0.6969541109464887
Energy: 0.6619603078790477
Energy: 0.6646431310499143
Energy: 0.90938479099447
Energy: 1.3502145866195865
Energy: 0.9093847909762676
Energy: 0.644678438126248
Energy: 0.6970341499503137
Energy: 1.1554618341534295
Energy: 0.6970341500606833
Energy: 0.6684220086009736
Energy: 0.6969880494493764
Energy: 1.4634448401738671
Energy: 0.6969880302481827
Energy: 0.8991935494598376
Energy: 0.7629801143652595
Energy: 0.6969829451568819
Energy: 0.7629801143660541
Energy: 0.664601990285835
Energy: 0.6797685976357152
Energy: 1.1533279445858557
Energy: 0.6797685976341262
Energy: 0.9156848919245875
Energy: 0.9184515649868223
Energy: 0.6618716866444734
Energy: 0.9184515649868223
Energy: 0.6680461242562422
Energy: 0.6962800773508291
Energy: 1.0311048969944514
Energy: 0.6962800776510227
Energy: 0.9124675841351219
Energy: 0.7629896481806476
Energy: 0.6652629221474962
Energy: 0.7629896481814422
Energy: 0.6645939019410755
Energy: 0.6988346761549081
Energy: 0.6449279787921769
Energy: 0.6988346761541135
Energy: 0.9195499118768313
Energy: 0.6963593846421721
Energy: 0.6723957838324554
Energy: 0.6963593846421721
Energy: 0.7004241561205751
Energy: 0.6989781733624126
Energy: 0.6501766591557446
Energy: 0.6989781733640017
Energy: 1.3655697689366268
Energy: 0.9941537030163367
Energy: 0.6656384275624689
Energy: 0.9941537030147475
Energy: 1.1581725139792605
Energy: 0.6963667063721775
Energy: 0.6450853382984062
Energy: 0.6963667063721775
Energy: 1.1720411574798772
Energy: 0.972926233293396
Energy: 0.6726879120101428
Energy: 0.9729262332926016
Energy: 0.6998667613225511
Energy: 0.7611108375568032
Energy: 0.6422247985959405
Energy: 0.7611108375568032
Energy: 1.1561748929439972
Energy: 0.9943865932490532
Energy: 0.6657964208191136
Energy: 0.9943865932387241
Energy: 0.6644473188323966
Energy: 0.9183139719871077
Energy: 0.9265239326567585
Energy: 0.9183139719863133
Energy: 0.6651606993555151
Energy: 0.9728262063939684
Energy: 0.6727556156350519
Energy: 0.972826206394763
Energy: 0.6686369209905124
Energy: 0.7608125835448134
Energy: 0.9127372899866095
Energy: 0.7608125835440188
Energy: 0.6457712871825361
Energy: 1.0149540556153571
Energy: 0.669101719523584
Energy: 1.0149540556153571
Energy: 0.6709978474807059
Energy: 0.6960193479124427
Energy: 0.9235365384668457
Energy: 0.6960193478449064
Energy: 0.6450769794548813
Energy: 0.9733506057139645
Energy: 0.704252414942218
Energy: 0.9733506057139645

minimum gb energy = 0.6422247985959405 eV
minimum distance =  2.311773550804 Angstroms
sigma value = 15


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

Energy: 1.038381035438941
Energy: 0.6339124021726038
Energy: 1.017946454425561
Energy: 0.6339124070833559
Energy: 1.5376526562016888
Energy: 0.6291895144246925
Energy: 0.629572374977191
Energy: 0.6291895144273848
Energy: 0.6576723054582536
Energy: 0.6285577837952284
Energy: 1.2410008408124247
Energy: 0.6285577875110598
Energy: 1.187439360294749
Energy: 0.6299972167879283
Energy: 0.6297756026682768
Energy: 0.6299972168390832
Energy: 0.626836563776902
Energy: 0.6369097235400727
Energy: 0.6265506510196946
Energy: 0.6369097394616815
Energy: 1.0408912622677564
Energy: 0.6297436007854182
Energy: 0.6295285823717982
Energy: 0.6297436009603609
Energy: 0.629141529947804
Energy: 0.6421664914027474
Energy: 0.6424921028277264
Energy: 0.6421667552349783
Energy: 0.8123546974970637
Energy: 0.6474198791682916
Energy: 0.6300479730153097
Energy: 0.6474198793250606
Energy: 0.6315447348867583
Energy: 0.645156959830024
Energy: 0.948322919869651
Energy: 0.6451569600022742
Energy: 0.5952098449327404
Energy: 0.6289582283635875
Energy: 0.6274825355092329
Energy: 0.6289582283279137
Energy: 0.628975178653228
Energy: 0.8227078890784421
Energy: 1.0511040250394508
Energy: 0.8227079134335186
Energy: 0.5927132032410821
Energy: 0.6307718330261307
Energy: 0.6585077114300812
Energy: 0.6307718273457904
Energy: 0.6313446589972258
Energy: 0.8952433419578018
Energy: 1.463398452754176
Energy: 0.8952433427247588
Energy: 0.5948987513468156
Energy: 0.628418633511745
Energy: 1.0381180999568185
Energy: 0.6284186335110717
Energy: 0.6289880438214591
Energy: 0.827487449895917
Energy: 1.3737915115705412
Energy: 0.8274874498992826
Energy: 0.8302919387747697
Energy: 0.6272646293631572
Energy: 0.6589790102829346
Energy: 0.627264629368542
Energy: 0.631550799512573
Energy: 0.6436497954720333
Energy: 1.3033606183952349
Energy: 0.643649795535977
Energy: 0.8474819066427774
Energy: 0.6326078228637108
Energy: 0.6272566311020331
Energy: 0.6326078220462719
Energy: 0.6290339604530272
Energy: 0.6272714639212246
Energy: 1.0296550084439833
Energy: 0.6272714741712433
Energy: 0.8407298482293909
Energy: 0.8267126006420537
Energy: 0.6299407764103908
Energy: 0.8267126006400345
Energy: 0.6318062226889481
Energy: 0.6599621988531406
Energy: 0.9392024211975067
Energy: 0.659962218522216
Energy: 0.8491763010121949
Energy: 0.6457104012188861
Energy: 0.6345123440444088
Energy: 0.6457104010466359
Energy: 0.6290645943179674
Energy: 0.6270696532126389
Energy: 0.5946968157591621
Energy: 0.6270696532126389
Energy: 1.2046605148224525
Energy: 0.6281091489764073
Energy: 0.6297284851908188
Energy: 0.6281091118415899
Energy: 0.660415674430326
Energy: 0.906512135133695
Energy: 0.5923032268430062
Energy: 0.9065121351370604
Energy: 1.2107411192584236
Energy: 0.6428080706107047
Energy: 0.6344761570899904
Energy: 0.6428080706173745
Energy: 1.0404390402102655
Energy: 0.8799748192797702
Energy: 0.5944530412701337
Energy: 0.8799748192784239
Energy: 1.386248610928812
Energy: 0.6307481572332962
Energy: 0.6298551062906972
Energy: 0.6307481572851245
Energy: 0.6601046856385453
Energy: 0.661754496709426
Energy: 0.604147069055505
Energy: 0.6617545543058535
Energy: 1.053627838009431
Energy: 0.6422932198607583
Energy: 0.6344908785883155
Energy: 0.6422932203404276
Energy: 0.6288750351577326
Energy: 0.8848790641614788
Energy: 0.843233210428559
Energy: 0.8848790641641712
Energy: 1.0549221167904372
Energy: 0.6309979799595885
Energy: 0.6295709797205502
Energy: 0.6309979799595885
Energy: 0.6314415423379617
Energy: 0.9177259504509555
Energy: 0.8366478195228667
Energy: 0.9177259503923967
Energy: 0.6134580321583715
Energy: 0.9064732705376634
Energy: 0.634464651307832
Energy: 0.9064732705369903
Energy: 0.6161952100984398
Energy: 0.6878175726172562
Energy: 0.8456207984480469
Energy: 0.6878175725452353
Energy: 0.5954913000510225
Energy: 0.6314071130607178
Energy: 0.6317080706216098
Energy: 0.6314071151100362
Energy: 0.6314984243634134
Energy: 0.918026610106019
Energy: 1.2784832278769758
Energy: 0.9180266101087112

minimum gb energy = 0.5923032268430062 eV
minimum distance =  2.30236787537889 Angstroms
sigma value = 85


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

Energy: 1.0516171587154108
Energy: 0.6421156649990613
Energy: 1.3106204427383779
Energy: 0.6421156650031478
Energy: 1.580894319702656
Energy: 0.6218389894330264
Energy: 0.5822665643373112
Energy: 0.6218389894277724
Energy: 1.0127329375260008
Energy: 0.7143373555741874
Energy: 0.7238442981227401
Energy: 0.7143373555741874
Energy: 1.2896374512857987
Energy: 0.700473260185761
Energy: 0.5823344851101637
Energy: 0.7004732602493656
Energy: 0.7085518297065009
Energy: 0.6739695242501245
Energy: 0.6693945515330451
Energy: 0.6739695242483732
Energy: 1.1425085165059548
Energy: 0.7110127473675072
Energy: 0.5824595262056487
Energy: 0.7110127473675072
Energy: 0.6679722708569854
Energy: 0.9541112134016967
Energy: 0.7008101259212673
Energy: 0.9541112134022804
Energy: 0.9840399317042333
Energy: 0.6987512512489815
Energy: 0.5927782203626724
Energy: 0.6987512513534239
Energy: 0.5918363238935148
Energy: 0.7572181724591273
Energy: 1.0325848979419188
Energy: 0.7572181724585434
Energy: 0.808489696161211
Energy: 0.7876533207977849
Energy: 0.6686774930143325
Energy: 0.7876533207972277
Energy: 0.584000115940895
Energy: 0.7760701383001465
Energy: 1.0340737281571777
Energy: 0.7760701382966704
Energy: 0.6222063949425529
Energy: 0.6207815240641746
Energy: 0.7097068538135546
Energy: 0.6207815238132581
Energy: 0.5819099279533382
Energy: 0.7570773957998594
Energy: 1.2997464626095896
Energy: 0.7570773957391734
Energy: 0.5321070477404473
Energy: 0.712526388847656
Energy: 1.0131071497256887
Energy: 0.7125263888464884
Energy: 0.5838185428830333
Energy: 0.7781306886613939
Energy: 1.432979651261643
Energy: 0.7781306886625613
Energy: 0.5319792820465853
Energy: 0.6206497504290459
Energy: 0.9744102699514264
Energy: 0.6206497504290459
Energy: 0.5818113920938407
Energy: 0.6787721375080378
Energy: 1.4980561423308847
Energy: 0.6787721375062864
Energy: 0.7236774745918731
Energy: 0.6331501546968694
Energy: 1.013173993601573
Energy: 0.6331501818197747
Energy: 0.5834752098043016
Energy: 0.6985891054925826
Energy: 1.2868344753120726
Energy: 0.6985891054861612
Energy: 0.7443737673891807
Energy: 0.6208376805066046
Energy: 0.7093304755918148
Energy: 0.6208376798028925
Energy: 0.582779537866758
Energy: 0.6107736545673703
Energy: 1.285782694373776
Energy: 0.6107736545673703
Energy: 0.8246071106878595
Energy: 0.7774224148948193
Energy: 0.6686691645943882
Energy: 0.7774224148942356
Energy: 0.5953014399100033
Energy: 0.6214780077761157
Energy: 0.9887281129877982
Energy: 0.621478007798299
Energy: 0.8403178597445786
Energy: 0.6444241730726072
Energy: 0.5933548753675391
Energy: 0.6444241730714397
Energy: 0.6703224506924393
Energy: 0.6199978291860861
Energy: 0.9744208922247375
Energy: 0.6199978291732432
Energy: 1.181966556579468
Energy: 0.6202454845749374
Energy: 0.5842298287129515
Energy: 0.6202454845737698
Energy: 0.7116922382923868
Energy: 0.6201099458637462
Energy: 0.6319646397514183
Energy: 0.620109945901665
Energy: 1.1819304713088339
Energy: 0.6451089614412479
Energy: 0.5824206238391321
Energy: 0.6451089617773687
Energy: 1.0151174010867972
Energy: 0.6337662140905547
Energy: 0.618658735780594
Energy: 0.6337662140946411
Energy: 1.443566854773
Energy: 0.6201333026977561
Energy: 0.5839294422527045
Energy: 0.6201333027187454
Energy: 1.054267213446
Energy: 0.6330751568466837
Energy: 0.5319516932977527
Energy: 0.6330751567393224
Energy: 1.3092141793586953
Energy: 0.645242461564657
Energy: 0.5823333494573907
Energy: 0.645242460385939
Energy: 1.0151160249643603
Energy: 0.6331545429911688
Energy: 0.5261686986541892
Energy: 0.6331545454670046
Energy: 1.2892610462860046
Energy: 0.6206705805213036
Energy: 0.5842184494336101
Energy: 0.6206705810534662
Energy: 0.7114331817412386
Energy: 0.6205663699545532
Energy: 0.744807320081926
Energy: 0.6205663699539694
Energy: 1.0096453377993873
Energy: 0.6585625555252064
Energy: 0.584590069926012
Energy: 0.6585625551266484
Energy: 0.6707635791838998
Energy: 0.7769900518544116
Energy: 0.8244879854286901
Energy: 0.7769900518596655
Energy: 0.9888714892936431
Energy: 0.6215588734913348
Energy: 0.5948335766992935
Energy: 0.6215588734925024
Energy: 0.593614678149854
Energy: 0.621221715344932
Energy: 0.8394393970712315
Energy: 0.6212217149825681
Energy: 0.6398437363255972
Energy: 0.6704678078264975
Energy: 0.6722919588212615
Energy: 0.670467807828806
Energy: 0.581494350203491
Energy: 0.6200283006658172
Energy: 1.179836064664663
Energy: 0.620028300658228
Energy: 0.6199293622330163
Energy: 0.6213686247630713
Energy: 0.7131141406661036
Energy: 0.6213686289474525
Energy: 0.5842292232049646
Energy: 0.8552636497762545
Energy: 1.1615228961291282
Energy: 0.8552636497762545

minimum gb energy = 0.5261686986541892 eV
minimum distance =  2.31129811729021 Angstroms
sigma value = 113


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

Energy: 0.018910176180769348
Energy: 0.020196361576942556
Energy: 1.0645970222321413
Energy: 0.020196361576942556
Energy: 0.858777387940856
Energy: 0.29774360540715183
Energy: 0.2976294949982361
Energy: 0.29774360540715183
Energy: 0.018910176180320572
Energy: 0.02019636157739133
Energy: 2.027832247635514
Energy: 0.02019636157739133
Energy: 0.8587773879382631
Energy: 0.2977436054067031
Energy: 0.2976294949982361
Energy: 0.29774360540715183
Energy: 0.018910176180769348
Energy: 0.02019636157739133
Energy: 2.1807087322097494
Energy: 0.02019636157739133
Energy: 0.8587773879400084
Energy: 0.2977436054076006
Energy: 0.2976294949982361
Energy: 0.29774360540715183

minimum gb energy = 0.018910176180320572 eV
minimum distance =  2.52675206139664 Angstroms
sigma value = 1