Model name: model_name=MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6133156493306164
cohesive_energy=3.540278409752503
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.01677836575915984
Energy: 0.42184273131418876
Energy: 0.23286644750664506
Energy: 0.42182990838710566
Energy: 0.016778365759416138
Energy: 0.42184273131393246
Energy: 0.23286644750664506
Energy: 0.42671857159864846
Energy: 0.017031132862714106
Energy: 0.24073813988232243
Energy: 0.017048754030674997
Energy: 0.42671857159864846
Energy: 0.017031132862457807
Energy: 0.24073813988232243
Energy: 0.01677836575915984
Energy: 0.42184273131441663
Energy: 0.23286644750616092
Energy: 0.42182990838710566
Energy: 0.016778365759416138
Energy: 0.42184273131393246
Energy: 0.23286644750616092
Energy: 0.42671857159864846
Energy: 0.017031132862457807
Energy: 0.240738139881582
Energy: 0.017048754030674997
Energy: 0.42671857159890475
Energy: 0.017031132862457807
Energy: 0.24073813988183831
Energy: 0.016778365758932018
Energy: 0.42184273131418876
Energy: 0.23286644750641722
Energy: 0.42182990838710566
Energy: 0.01677836575915984
Energy: 0.42184273131418876
Energy: 0.23286644750641722
Energy: 0.42671857159864846
Energy: 0.017031132862714106
Energy: 0.24073813988183831
Energy: 0.017048754030674997
Energy: 0.42671857159864846
Energy: 0.017031132862229986
Energy: 0.240738139881582

minimum gb energy = 0.016778365758932018 eV
minimum distance =  2.53365503344993 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.1688395654160701
Energy: 1.2041548185425057
Energy: 1.2009455438708583
Energy: 1.2043940779066347
Energy: 1.1688395654160701
Energy: 1.204154818539444
Energy: 1.2009455438708583
Energy: 1.1129481894938005
Energy: 1.13076209981357
Energy: 1.1435542847653004
Energy: 1.1130404258946691
Energy: 1.1129481894907387
Energy: 1.130762099819693
Energy: 1.1435542847653004
Energy: 1.0689551060863451
Energy: 1.09288105318343
Energy: 1.2384780511057771
Energy: 1.0950226751243788
Energy: 1.0689551060832836
Energy: 1.09288105318343
Energy: 1.2384780511027156
Energy: 1.1586996196846113
Energy: 1.1253662235770088
Energy: 1.2086800323718456
Energy: 1.1228326049345718
Energy: 1.158699619687673
Energy: 1.1253662235770088
Energy: 1.2086800323718456
Energy: 1.0742737915609795
Energy: 1.0549115494376653
Energy: 1.2655269089803152
Energy: 1.1160351482113664
Energy: 1.074273791557918
Energy: 1.0549115494376653
Energy: 1.265526908983377
Energy: 1.1141937309703125
Energy: 1.135069196095666
Energy: 1.1866871029177462
Energy: 1.1352417310218963
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Energy: 1.135069196095666
Energy: 1.1866871029177462
Energy: 1.0873593935090415
Energy: 1.1168645205021033
Energy: 1.3031569924509363
Energy: 1.1522780118136318
Energy: 1.0873593935090415
Energy: 1.1168645204990417
Energy: 1.280462080774922
Energy: 1.0689158560683594
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Energy: 1.3419576746247208
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Energy: 1.068915856065298
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Energy: 1.1818025715952138
Energy: 1.2141158467963253
Energy: 1.124390183832
Energy: 1.1763831762778112
Energy: 1.1818025715921523
Energy: 1.2141158467932636
Energy: 1.102466828683661
Energy: 1.1151670440388137
Energy: 1.1629986259925513
Energy: 1.0759319822330842
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Energy: 1.189481653094623
Energy: 1.1263518986535719
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Energy: 1.0818434660320315
Energy: 1.1894816530976846
Energy: 1.182541917650799
Energy: 1.175977858886822
Energy: 1.3288277573718232
Energy: 1.2713275741976133
Energy: 1.1825419176477374
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Energy: 1.0737056134997411
Energy: 1.0934378871116421
Energy: 1.121666621332603
Energy: 1.124925401785072
Energy: 1.0737056135028027
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Energy: 1.121666621332603
Energy: 1.0753091008114992
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Energy: 1.2716953607342345
Energy: 1.095592638317164
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Energy: 1.0751832807182844
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Energy: 1.0886804290911223
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Energy: 1.09679565634874
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Energy: 1.0666573752386816
Energy: 1.139188994789787
Energy: 1.28332333219508
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Energy: 1.0666573752417432
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Energy: 1.28332333219508
Energy: 1.098846086650548
Energy: 1.1360513445191005
Energy: 1.1444266079841503
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Energy: 1.098846086650548
Energy: 1.1360513445191005
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Energy: 1.109306758997775
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Energy: 1.2328574965724424
Energy: 1.1352545502736737
Energy: 1.2163547037084173
Energy: 1.1992943861490029
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Energy: 1.2163547037114788
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Energy: 1.1047620466518482
Energy: 1.09103579554402
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Energy: 1.1147649741975219
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Energy: 1.1212603718456604
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Energy: 1.0668571214220093
Energy: 1.1365903498247487
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Energy: 1.1806259458651607
Energy: 1.0668571214280766
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Energy: 1.2475103757501074
Energy: 1.1027281730851697
Energy: 1.1126241096492013
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Energy: 1.1019603229284698
Energy: 1.2472146033461813
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Energy: 1.0826479900877037
Energy: 1.101960322925408
Energy: 1.224192128765816
Energy: 1.0921535198065897
Energy: 1.0807984246981897
Energy: 1.3084402807685713
Energy: 1.065230083257451
Energy: 1.0921535198065897
Energy: 1.0807984246951279
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Energy: 1.0757513265039929
Energy: 1.144205701961542
Energy: 1.1318916949033602
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Energy: 1.075751326510116
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Energy: 1.0832311187756651
Energy: 1.0754694719378908
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Energy: 1.2120604118642107
Energy: 1.0584513494769947
Energy: 1.1167719752575829
Energy: 1.2534024383684752
Energy: 1.0867195670440724
Energy: 1.0584513494769947
Energy: 1.1167719752575829
Energy: 1.2534024383592903
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Energy: 1.0864944968397638
Energy: 1.241363628121263
Energy: 1.0983919431478697
Energy: 1.0734244384618263
Energy: 1.0864944968336407
Energy: 1.2413636281243245
Energy: 1.0921897966484613
Energy: 1.179516108470065
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Energy: 1.1005589318275566
Energy: 1.0921897966484613
Energy: 1.179516108470065
Energy: 1.1946131437112548
Energy: 1.1130298458466084
Energy: 1.1988294371799317
Energy: 1.209006015931239
Energy: 1.1409338331290788
Energy: 1.11302984584967
Energy: 1.19882943717687
Energy: 1.209006015931239
Energy: 1.106922959325013
Energy: 1.114369822754143
Energy: 1.1689643636628448
Energy: 1.1386573720815139
Energy: 1.1069229593219514
Energy: 1.114369822754143
Energy: 1.1689643636628448
Energy: 1.1093295847184816
Energy: 1.0758328667269577
Energy: 1.1662337633321629
Energy: 1.0859982577912037
Energy: 1.1093295847184816
Energy: 1.0758328667238959
Energy: 1.1662337633291016
Energy: 1.1765853579984842
Energy: 1.0994184390208348
Energy: 1.2386153777866917
Energy: 1.1984455455081315
Energy: 1.176585358001546
Energy: 1.099418439017773
Energy: 1.2386153777866917
Energy: 1.11084442905719
Energy: 1.0945937549725584
Energy: 1.197090704755159
Energy: 1.1528332065515572
Energy: 1.1108444290602515
Energy: 1.0945937549633735
Energy: 1.1970907047520973
Energy: 1.0585650252496457
Energy: 1.0768232628372385
Energy: 1.2504089477100397
Energy: 1.11512190280028
Energy: 1.0585650252496457
Energy: 1.0768232628341772
Energy: 1.2504089477192246
Energy: 1.0745029995684667
Energy: 1.1136617899388752
Energy: 1.314335934004872
Energy: 1.1705038720037368
Energy: 1.0745029995715285
Energy: 1.113661789941937
Energy: 1.3143359340109948
Energy: 1.0479519692379193
Energy: 1.1241582374820607
Energy: 1.1874514825427314
Energy: 1.076991375455462
Energy: 1.0479519692379193
Energy: 1.1241582374820607
Energy: 1.1874514825427314

minimum gb energy = 1.0479519692379193 eV
minimum distance =  2.27532660331101 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.1935336704446748
Energy: 1.2543265952895362
Energy: 1.2013190114024053
Energy: 1.1312158322782426
Energy: 1.193533670445054
Energy: 1.2543265952916212
Energy: 1.2013190114024053
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Energy: 1.116810023676013
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Energy: 1.188062229000338
Energy: 1.1783066919431398
Energy: 1.09967422024616
Energy: 1.1457221977005734
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Energy: 1.0976602265370243
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Energy: 1.1007018263599766
Energy: 1.1141347475128454
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Energy: 1.1101498899789286
Energy: 1.2568273988461447
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Energy: 1.2568273988464607
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Energy: 1.2568273988471557
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Energy: 1.2543265952892204
Energy: 1.2013190114027212
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Energy: 1.193533670443285
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Energy: 1.188062229001033
Energy: 1.178306691945225
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Energy: 1.1246303643337763
Energy: 1.099674220246855
Energy: 1.1457221976988041
Energy: 1.188129085965661
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Energy: 1.0976602265373403
Energy: 1.2308263796391066
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Energy: 1.07439179117603
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Energy: 1.100701826360356
Energy: 1.1141347475139196
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Energy: 1.1019964845414214
Energy: 1.1633712364532045
Energy: 1.3083103339792337
Energy: 1.1031644076292675
Energy: 1.1019964845407262
Energy: 1.1633712364514983
Energy: 1.3083103339785385
Energy: 1.0746377022111677
Energy: 1.128459202980318
Energy: 1.2264881633688172
Energy: 1.1133544997021618
Energy: 1.0746377022087035
Energy: 1.1284592029813292
Energy: 1.2264881633688172
Energy: 1.1056039581244315
Energy: 1.1890063083591966
Energy: 1.1573829781572207
Energy: 1.156481429878721
Energy: 1.1056039581223462
Energy: 1.1890063083585016
Energy: 1.157382978158611
Energy: 1.1007871049753921
Energy: 1.1326143733663552
Energy: 1.17178643478679
Energy: 1.1675160064020091
Energy: 1.1007871049750129
Energy: 1.1326143733667344
Energy: 1.1717864347857792
Energy: 1.0761821690467608
Energy: 1.082340634783125
Energy: 1.171674458773917
Energy: 1.1797911491920308
Energy: 1.0761821690470763
Energy: 1.08234063478382
Energy: 1.171674458773538
Energy: 1.0765510539063472
Energy: 1.1101498899785494
Energy: 1.2568273988475347
Energy: 1.2380279898713242
Energy: 1.0765510539066634
Energy: 1.1101498899792444
Energy: 1.2568273988464607
Energy: 1.1575108796384996
Energy: 1.2543265952892204
Energy: 1.2013190114017103
Energy: 1.1312158322771684
Energy: 1.1575108796384996
Energy: 1.2543265952916212
Energy: 1.2013190114024053
Energy: 1.0645377586222329
Energy: 1.1841661102978374
Energy: 1.2245738567834437
Energy: 1.098149478928033
Energy: 1.0645377586208429
Energy: 1.1841661102954362
Energy: 1.2245738567816744

minimum gb energy = 1.0645377586208429 eV
minimum distance =  2.28406711196783 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.2307193190272525
Energy: 1.0961939544210038
Energy: 1.2216299525108236
Energy: 1.10742253361526
Energy: 1.230719319026851
Energy: 1.0961939544210038
Energy: 1.2417556463587702
Energy: 1.1436981771425314
Energy: 1.1391732353068202
Energy: 1.1805548549491476
Energy: 1.1026645337937624
Energy: 1.1436981771429326
Energy: 1.1391732353068202
Energy: 1.180554854949549
Energy: 1.1641649411774926
Energy: 1.11668160272463
Energy: 1.2618027871465896
Energy: 1.1171586922382224
Energy: 1.164164941177894
Energy: 1.1166816027230249
Energy: 1.2562551359867848
Energy: 1.1039290100957682
Energy: 1.0513195905778667
Energy: 1.2402689719782838
Energy: 1.0855567527573102
Energy: 1.1039290100953671
Energy: 1.0513195905774653
Energy: 1.2402689719786852
Energy: 1.1330824149221237
Energy: 1.1184711980994038
Energy: 1.2918796265787595
Energy: 1.1224392965968204
Energy: 1.1330824149217225
Energy: 1.1184711980990025
Energy: 1.291879626578358
Energy: 1.1174585913089738
Energy: 1.0515856578991383
Energy: 1.212546514028461
Energy: 1.105560167711809
Energy: 1.1174585913085728
Energy: 1.0515856578999407
Energy: 1.2125465140280598
Energy: 1.123663826425649
Energy: 1.1721896225307546
Energy: 1.180690934920022
Energy: 1.1227868914078316
Energy: 1.123663826425649
Energy: 1.1721896225315571
Energy: 1.1250934376657236
Energy: 1.1116920451668826
Energy: 1.0949117432296143
Energy: 1.31754638993326
Energy: 1.0824338308650103
Energy: 1.111692045167284
Energy: 1.0949117432296143
Energy: 1.3175463899324573
Energy: 1.1037354759233746
Energy: 1.0613380195210622
Energy: 1.2629661823260363
Energy: 1.090895287115046
Energy: 1.103735475922572
Energy: 1.0613380195210622
Energy: 1.2278863642000444
Energy: 1.110398376827735
Energy: 1.0993545473639517
Energy: 1.2565059113901647
Energy: 1.223718079834267
Energy: 1.1103983768285377
Energy: 1.0993545473643531
Energy: 1.2565059113901647
Energy: 1.133806091494242
Energy: 1.1041221186626435
Energy: 1.2131602937960633
Energy: 1.0475123027014912
Energy: 1.133806091494242
Energy: 1.1041221186634462
Energy: 1.2131602937960633
Energy: 1.1468166431086342
Energy: 1.191387709829739
Energy: 1.3155381272511435
Energy: 1.1350247046881279
Energy: 1.1468166431090354
Energy: 1.1913877098301404
Energy: 1.3155381272507423
Energy: 1.0979375416522115
Energy: 1.1153675668871992
Energy: 1.2073907431131417
Energy: 1.0910109569029491
Energy: 1.097937541653014
Energy: 1.1153675668871992
Energy: 1.207390743113543
Energy: 1.0862755108404762
Energy: 1.1090024702370807
Energy: 1.261766897989028
Energy: 1.114188743527155
Energy: 1.0862755108404762
Energy: 1.1090024702370807
Energy: 1.2617668979886265
Energy: 1.1105349002780078
Energy: 1.0618091400394614
Energy: 1.2160457804367573
Energy: 1.1066869348269235
Energy: 1.1105349002776064
Energy: 1.0618091400390601
Energy: 1.2160457804371587
Energy: 1.1501721776252165
Energy: 1.135075682132478
Energy: 1.2539292294093747
Energy: 1.1642750348877342
Energy: 1.1501721776260188
Energy: 1.1350756821328791
Energy: 1.2539292294093747
Energy: 1.1425950769839774
Energy: 1.052803949873917
Energy: 1.2326657533605005
Energy: 1.0896998958355673
Energy: 1.142595076983576
Energy: 1.0528039498731143
Energy: 1.2326657533592966
Energy: 1.1091582771579005
Energy: 1.1998264640127767
Energy: 1.3291913050956055
Energy: 1.1247527735160434
Energy: 1.1091582771570978
Energy: 1.1998264640131777
Energy: 1.3291913050960067
Energy: 1.089183324221391
Energy: 1.0957104858002955
Energy: 1.2677267017557896
Energy: 1.0711315768511005
Energy: 1.0891833242221938
Energy: 1.095710485799894
Energy: 1.2677267017553884
Energy: 1.1116905608060983
Energy: 1.0825593043252144
Energy: 1.2820549264570675
Energy: 1.0909165440621076
Energy: 1.111690560805697
Energy: 1.0825593043248132
Energy: 1.2820549264570675
Energy: 1.1200315867472732
Energy: 1.1430534239492636
Energy: 1.1988970978279683
Energy: 1.1747021979193222
Energy: 1.1200315867468718
Energy: 1.1430534239488623
Energy: 1.1988970978283697
Energy: 1.1085329258655205
Energy: 1.1422682924872116
Energy: 1.2012736942974556
Energy: 1.0470865698112664
Energy: 1.1085329258655205
Energy: 1.1422682924876129
Energy: 1.2012736942978568
Energy: 1.1326593972931738
Energy: 1.0928882567474971
Energy: 1.3184415900881195
Energy: 1.1184375018104575
Energy: 1.132659397292371
Energy: 1.0928882567474971
Energy: 1.318441590087718
Energy: 1.0956696252000655
Energy: 1.1220113865591776
Energy: 1.2394432284498125
Energy: 1.0875669309966707
Energy: 1.0956696252004667
Energy: 1.1220113865591776
Energy: 1.2394432284498125
Energy: 1.1782993138364788
Energy: 1.0962057358318453
Energy: 1.1675488041773037
Energy: 1.1260197214672543
Energy: 1.1782993138352749
Energy: 1.096205735831444
Energy: 1.167548804177705
Energy: 1.1583441285867586
Energy: 1.1067451815263913
Energy: 1.1703660802537212
Energy: 1.1323703223698935
Energy: 1.1583441285863574
Energy: 1.1067451815267928
Energy: 1.1703660802533202
Energy: 1.2277657897849708
Energy: 1.1026580747950119
Energy: 1.2193721217889841
Energy: 1.1087063392261016
Energy: 1.2277657897845695
Energy: 1.1026580747942094
Energy: 1.219372121788583
Energy: 1.1285072102425153
Energy: 1.1371093362225022
Energy: 1.1633380312054868
Energy: 1.0963077647910098
Energy: 1.1285072102433178
Energy: 1.1371093362229034
Energy: 1.1633380312046842
Energy: 1.14594630386716
Energy: 1.1165651965712664
Energy: 1.2607519199164465
Energy: 1.1001130089077475
Energy: 1.14594630386716
Energy: 1.1165651965716676
Energy: 1.2607519199172492
Energy: 1.0945670855750569
Energy: 1.0582698852438428
Energy: 1.242406678192837
Energy: 1.1127793320088353
Energy: 1.0945670855750569
Energy: 1.0582698852438428
Energy: 1.2424066781932384
Energy: 1.132741754805299
Energy: 1.118380729830613
Energy: 1.2989744894019029
Energy: 1.0975767868884316
Energy: 1.132741754805299
Energy: 1.1183807298310142
Energy: 1.2989744894031068
Energy: 1.113554034862113
Energy: 1.0494828763182285
Energy: 1.2146741979045033
Energy: 1.1106863579129216
Energy: 1.113554034862113
Energy: 1.0494828763182285
Energy: 1.2146741979045033
Energy: 1.1071581049644952
Energy: 1.2075441311210482
Energy: 1.1114373368994939
Energy: 1.1411007178019008
Energy: 1.1071581049644952
Energy: 1.2075441311218507
Energy: 1.1114373368994939
Energy: 1.1151969107389927
Energy: 1.1015611225805033
Energy: 1.3678511078539328
Energy: 1.1236124892384425
Energy: 1.1151969107397954
Energy: 1.1015611225813058
Energy: 1.3678511078547355
Energy: 1.0891056359813085
Energy: 1.0613165759715948
Energy: 1.2683944296367171
Energy: 1.105299669114042
Energy: 1.08910563598171
Energy: 1.0613165759699896
Energy: 1.2683944296363159
Energy: 1.1119470116619579
Energy: 1.1003704636594478
Energy: 1.283162876783157
Energy: 1.179678637981168
Energy: 1.111947011662359
Energy: 1.1003704636602503
Energy: 1.283162876783157

minimum gb energy = 1.0470865698112664 eV
minimum distance =  2.27596219432932 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.0603942548217133
Energy: 1.08619380306106
Energy: 1.2057248318436107
Energy: 1.0861026944876844
Energy: 1.0603942548226604
Energy: 1.086193803058218
Energy: 1.1892104811406248
Energy: 1.0464729123960934
Energy: 1.1195161306834887
Energy: 1.0997705187770306
Energy: 1.1156300483129131
Energy: 1.0464729123946728
Energy: 1.1195161306858568
Energy: 1.0997705187775042
Energy: 1.0645563384787178
Energy: 1.0074928237413994
Energy: 1.2576202086994852
Energy: 1.041934182822793
Energy: 1.0645563384791916
Energy: 1.0074928237413994
Energy: 1.277182668183
Energy: 1.0724238221933495
Energy: 1.0974421018667413
Energy: 1.1153839621381922
Energy: 1.150455570132621
Energy: 1.0724238221919287
Energy: 1.0974421018667413
Energy: 1.1153839621377188
Energy: 1.101936365557794
Energy: 1.0579554441907977
Energy: 1.0791525486222415
Energy: 1.0408316714067791
Energy: 1.1019363655568468
Energy: 1.057955444190324
Energy: 1.0401306418901557
Energy: 1.0544708823658373
Energy: 1.0639400089953912
Energy: 1.1853128664835644
Energy: 1.200950258715404
Energy: 1.0544708823667845
Energy: 1.0639400089963384
Energy: 1.1853128664840378
Energy: 1.2006360944873278
Energy: 1.0409309830581013
Energy: 1.1142234399301099
Energy: 1.0421012174888982
Energy: 1.2006360944863805
Energy: 1.040930983058575
Energy: 1.0516646289141107
Energy: 1.0800220771326048
Energy: 1.0954963016355834
Energy: 1.184897121004202
Energy: 1.0954753518801454
Energy: 1.080022077133552
Energy: 1.095496301636057
Energy: 1.1848971210056232
Energy: 1.2006810127120813
Energy: 1.0417378929286043
Energy: 1.2190043572718199
Energy: 1.0409958078573742
Energy: 1.2006810127106604
Energy: 1.0417378929295515
Energy: 1.1737141391893708
Energy: 1.0550169569558001
Energy: 1.2008833808602108
Energy: 1.1851396529184535
Energy: 1.0638730180644957
Energy: 1.0550169569543792
Energy: 1.2008833808616317
Energy: 1.18513965291798
Energy: 1.1018786314257645
Energy: 1.0410513776272632
Energy: 1.3399578324223205
Energy: 1.057889323255667
Energy: 1.1018786314248172
Energy: 1.041051377624422
Energy: 1.3404755938111965
Energy: 1.0560512702191602
Energy: 1.1501445048705001
Energy: 1.1155281877850587
Energy: 1.0994949048391192
Energy: 1.0560512702191602
Energy: 1.150144504870974
Energy: 1.1155281877836378
Energy: 1.0636945038117378
Energy: 1.0418197203512551
Energy: 1.1233915994507442
Energy: 1.0076751448298715
Energy: 1.0636945038107906
Energy: 1.0418197203517288
Energy: 1.1041924194809116
Energy: 1.04636239615476
Energy: 1.1153808868703614
Energy: 1.0997450281322205
Energy: 1.1196926894544674
Energy: 1.0463623961557074
Energy: 1.1153808868703614
Energy: 1.099745028131747
Energy: 1.060394254823134
Energy: 1.08619380306106
Energy: 1.27601110165149
Energy: 1.0861026944876844
Energy: 1.0603942548236078
Energy: 1.086193803058218
Energy: 1.1553189955124414
Energy: 1.0464729123970407
Energy: 1.1195161306839623
Energy: 1.0997705187770306
Energy: 1.1156300483129131
Energy: 1.0464729123951464
Energy: 1.1195161306858568
Energy: 1.0997705187770306
Energy: 1.064556338477771
Energy: 1.0074928237413994
Energy: 1.2771826681839473
Energy: 1.0419341828223194
Energy: 1.064556338479665
Energy: 1.0074928237404521
Energy: 1.2771826681820528
Energy: 1.072423822192876
Energy: 1.0974421018691092
Energy: 1.1153839621391395
Energy: 1.1504555701330945
Energy: 1.0724238221919287
Energy: 1.097442101865794
Energy: 1.1153839621381922
Energy: 1.1019363655582677
Energy: 1.0579554441898507
Energy: 1.0401306418877876
Energy: 1.0408316714072527
Energy: 1.1019363655563734
Energy: 1.0579554441898507
Energy: 1.0401306418901557
Energy: 1.0544708823658373
Energy: 1.0639400089930233
Energy: 1.1853128664840378
Energy: 1.2009502587149303
Energy: 1.0544708823672582
Energy: 1.0639400089972857
Energy: 1.1853128664849848
Energy: 1.2006360944868542
Energy: 1.0409309830581013
Energy: 1.1086572727983302
Energy: 1.0421012174888982
Energy: 1.2006360944868542
Energy: 1.040930983058575
Energy: 1.072436680324349
Energy: 1.0800220771326048
Energy: 1.0954963016346362
Energy: 1.1848971210037287
Energy: 1.095475351880619
Energy: 1.0800220771340256
Energy: 1.0954963016351098
Energy: 1.1848971210060966
Energy: 1.2006810127120813
Energy: 1.041737892929078
Energy: 1.2085722144066708
Energy: 1.0409958078578476
Energy: 1.200681012711134
Energy: 1.041737892929078
Energy: 1.1982115733387086
Energy: 1.0550169569553263
Energy: 1.2008833808602108
Energy: 1.1851396529184535
Energy: 1.0638730180644957
Energy: 1.0550169569543792
Energy: 1.200883380861158
Energy: 1.1851396529175067
Energy: 1.1018786314257645
Energy: 1.0410513776267898
Energy: 1.4289659738826663
Energy: 1.0578893232561404
Energy: 1.1018786314248172
Energy: 1.0410513776248953
Energy: 1.246947061506281
Energy: 1.0560512702196339
Energy: 1.150144504870974
Energy: 1.1155281877850587
Energy: 1.0994949048376983
Energy: 1.0560512702191602
Energy: 1.150144504870974
Energy: 1.1155281877836378
Energy: 1.0636945038122114
Energy: 1.0418197203507813
Energy: 1.1244383259909636
Energy: 1.0076751448298715
Energy: 1.0636945038112642
Energy: 1.0418197203512551
Energy: 1.1663492154828854
Energy: 1.04636239615476
Energy: 1.1153808868703614
Energy: 1.0997450281312733
Energy: 1.119692689454941
Energy: 1.0463623961557074
Energy: 1.1153808868703614
Energy: 1.099745028131747
Energy: 1.060394254825502
Energy: 1.08619380306106
Energy: 1.160083204799415
Energy: 1.0861026944886314
Energy: 1.060394254825976
Energy: 1.086193803058692
Energy: 1.240379046155457
Energy: 1.0464729123960934
Energy: 1.119516130683015
Energy: 1.0997705187770306
Energy: 1.1156300483133867
Energy: 1.0464729123946728
Energy: 1.119516130685383
Energy: 1.0997705187779778

minimum gb energy = 1.0074928237404521 eV
minimum distance =  2.31425352232552 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.0717172513214512
Energy: 1.2200245745719556
Energy: 1.0912565755396564
Energy: 1.214983799340987
Energy: 1.0717172513214512
Energy: 1.2200245745713807
Energy: 1.0912565755385064
Energy: 1.1213996989103587
Energy: 1.1019833971253865
Energy: 1.1515363348030336
Energy: 1.0203759665298509
Energy: 1.1213996989103587
Energy: 1.1019833971248114
Energy: 1.1515363348018837
Energy: 1.079654781648116
Energy: 1.1242120199401613
Energy: 1.161834252874607
Energy: 1.020387747148367
Energy: 1.079654781648116
Energy: 1.124212019940736
Energy: 1.161834252875182
Energy: 1.1817640280385873
Energy: 1.0684919271371947
Energy: 1.2083283597069363
Energy: 1.0429144695686476
Energy: 1.1817640280374373
Energy: 1.068491927136045
Energy: 1.2083283597075114
Energy: 1.039920498282224
Energy: 1.1001812370697497
Energy: 1.088045883825791
Energy: 1.1265885423521924
Energy: 1.039920498281649
Energy: 1.1001812370686
Energy: 1.088045883825791
Energy: 1.1818630493623
Energy: 1.0509935817981972
Energy: 1.1760400721121138
Energy: 1.068593497319036
Energy: 1.1818630493623
Energy: 1.0509935817981972
Energy: 1.1760400721115392
Energy: 1.0721856114729496
Energy: 1.1533587928995581
Energy: 1.1063844829393825
Energy: 1.078684182751422
Energy: 1.0721856114717996
Energy: 1.153358792898983
Energy: 1.1063844829382328
Energy: 1.0478442510920472
Energy: 1.1121183838016853
Energy: 1.1838545254284913
Energy: 1.0626375515855084
Energy: 1.0478442510937722
Energy: 1.1121183838022601
Energy: 1.1838545254284913
Energy: 1.1207960870706228
Energy: 1.058269585938361
Energy: 1.1284127003094495
Energy: 1.1532671864069703
Energy: 1.1207960870706228
Energy: 1.058269585938361
Energy: 1.1284127003088744
Energy: 1.0396268267879945
Energy: 1.0944009882469257
Energy: 1.0727503031443868
Energy: 1.115242827232543
Energy: 1.0396268267874196
Energy: 1.0944009882469257
Energy: 1.0727503031449617
Energy: 1.1610392999577788
Energy: 1.1459031592165134
Energy: 1.0603354294501064
Energy: 1.0226439312865772
Energy: 1.1610392999583534
Energy: 1.1459031592147888
Energy: 1.0603354294501064
Energy: 1.032325637561151
Energy: 1.1991874010010648
Energy: 1.1283684469319553
Energy: 1.1184274201937527
Energy: 1.032325637561151
Energy: 1.1991874010016395
Energy: 1.1283684469313804
Energy: 1.1603788437506515
Energy: 1.145260267964207
Energy: 1.2284017666357108
Energy: 1.0733602451220698
Energy: 1.1603788437506515
Energy: 1.145260267963057
Energy: 1.2377040437020406
Energy: 1.0349703154891445
Energy: 1.0802419149988283
Energy: 1.0484384233429853
Energy: 1.157010588616975
Energy: 1.0349703154897194
Energy: 1.0802419149982532
Energy: 1.0484384233429853
Energy: 1.1664536025728027
Energy: 1.081900609104539
Energy: 1.196428834227649
Energy: 1.0237152420449158
Energy: 1.1664536025739527
Energy: 1.081900609105114
Energy: 1.1964288342282239
Energy: 0.9953673155878218
Energy: 1.1275703683275786
Energy: 1.196909003095186
Energy: 1.1190406395776733
Energy: 0.9953673155889716
Energy: 1.1275703683287284
Energy: 1.1969090030946112
Energy: 1.1591261369619836
Energy: 1.0036253128880737
Energy: 1.168497576746527
Energy: 1.0237105721713458
Energy: 1.1591261369625587
Energy: 1.0036253128874988
Energy: 1.2182058282582027
Energy: 0.9935628287821253
Energy: 1.075406611212892
Energy: 1.0426876243566556
Energy: 1.1088561415910176
Energy: 0.9935628287821253
Energy: 1.075406611212892
Energy: 1.0426876243560808
Energy: 1.0891705309576705
Energy: 1.0686220190564966
Energy: 1.1738595782143135
Energy: 1.043266448981463
Energy: 1.0891705309576705
Energy: 1.0686220190559215
Energy: 1.1738595782137387
Energy: 0.9906720241480084
Energy: 1.138269285967615
Energy: 1.035835074475006
Energy: 1.1383447600739056
Energy: 0.9906720241480084
Energy: 1.13826928596819
Energy: 1.035835074475006
Energy: 1.0892233602398098
Energy: 1.049476953642617
Energy: 1.1741764739714033
Energy: 1.0684888350096728
Energy: 1.0892233602386598
Energy: 1.049476953642042
Energy: 1.174176473971978
Energy: 0.9935964379452643
Energy: 1.1088982181677622
Energy: 1.04267568558402
Energy: 1.0778853527978436
Energy: 0.9935964379446893
Energy: 1.1088982181689122
Energy: 1.0426756855805965
Energy: 1.158998714262737
Energy: 1.0236337148280379
Energy: 1.2906149199885089
Energy: 1.0036429398949713
Energy: 1.1589987142621618
Energy: 1.0236337148280379
Energy: 1.2906149199879342
Energy: 0.9966683148735922
Energy: 1.1193160649667515
Energy: 1.197414380178961
Energy: 1.1275676651877267
Energy: 0.9966683148718675
Energy: 1.1193160649673264
Energy: 1.197414380178386
Energy: 1.1675123326982013
Energy: 1.0237209321548915
Energy: 1.2593543108611311
Energy: 1.0822205523598374
Energy: 1.1675123326976262
Energy: 1.0237209321560414
Energy: 1.259354310860556

minimum gb energy = 0.9906720241480084 eV
minimum distance =  2.30088963820115 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.1362073235447956
Energy: 1.1690087344051299
Energy: 1.1783768609430771
Energy: 1.1695273441724372
Energy: 1.1362073235447956
Energy: 1.1690087344019213
Energy: 1.1453871931607398
Energy: 1.1359679154430098
Energy: 1.150488964655434
Energy: 1.1995422733492938
Energy: 1.1621556168845275
Energy: 1.1359679154430098
Energy: 1.1504889646522254
Energy: 1.199542273355711
Energy: 1.1366479402487188
Energy: 1.121688917032126
Energy: 1.1545771249713974
Energy: 1.128404109666546
Energy: 1.1366479402487188
Energy: 1.121688917032126
Energy: 1.154577124974606
Energy: 1.0615628435400057
Energy: 1.1565858014885495
Energy: 1.2344075932098673
Energy: 1.1527976545760072
Energy: 1.0615628435400057
Energy: 1.1565858014885495
Energy: 1.2344075932130758
Energy: 1.144787397306062
Energy: 1.080454002661336
Energy: 1.0915881893955075
Energy: 1.079635948038432
Energy: 1.1447873973028533
Energy: 1.0804540026581275
Energy: 1.106848305413937
Energy: 1.0692851597993729
Energy: 1.1056511753190252
Energy: 1.1868008824873408
Energy: 1.1314399898673007
Energy: 1.0692851597961641
Energy: 1.1056511753158165
Energy: 1.1868008824809233
Energy: 1.1366454767662013
Energy: 1.0805499290067155
Energy: 1.1185678107669506
Energy: 1.085383220254474
Energy: 1.1366454767629928
Energy: 1.0805499290067155
Energy: 1.1333197959538452
Energy: 1.0299360776723074
Energy: 1.1251284156503052
Energy: 1.2225435563874918
Energy: 1.1254991712653248
Energy: 1.0299360776723074
Energy: 1.1251284156470964
Energy: 1.2225435563907006
Energy: 1.1368041889863125
Energy: 1.0519305590555204
Energy: 1.1563819167571732
Energy: 1.0824174690870347
Energy: 1.1368041889863125
Energy: 1.051930559058729
Energy: 1.161026168418006
Energy: 1.0518566991130918
Energy: 1.118231800809409
Energy: 1.2500891985292333
Energy: 1.1414828916736683
Energy: 1.0518566991163005
Energy: 1.1182318008126175
Energy: 1.2500891985260245
Energy: 1.1108409919609064
Energy: 1.1355594676236367
Energy: 1.2629021458299345
Energy: 1.0576011387786297
Energy: 1.1108409919609064
Energy: 1.1355594676236367
Energy: 1.2629021458299345
Energy: 1.0518698328457403
Energy: 1.0959754673541775
Energy: 1.3011908545817843
Energy: 1.116852769317374
Energy: 1.0518698328425315
Energy: 1.095975467350969
Energy: 1.301190854584993
Energy: 1.1281970485907766
Energy: 1.1137538805770149
Energy: 1.2476208155033868
Energy: 1.102138532186919
Energy: 1.128197048584359
Energy: 1.113753880573806
Energy: 1.2476208155033868
Energy: 1.1301078473226065
Energy: 1.1965077507456168
Energy: 1.3120333372031012
Energy: 1.1856209309033126
Energy: 1.1301078473226065
Energy: 1.1965077507424082
Energy: 1.3120333372063098
Energy: 1.1282091188825394
Energy: 1.1362907814957366
Energy: 1.2853591476110353
Energy: 1.1965687473274706
Energy: 1.1282091188825394
Energy: 1.136290781492528
Energy: 1.2853591476078265
Energy: 1.1296768977264984
Energy: 1.0959704838963773
Energy: 1.2557950524936077
Energy: 1.1584188464706577
Energy: 1.1296768977297074
Energy: 1.0959704838963773
Energy: 1.2557950524968162
Energy: 1.1377563424114827
Energy: 1.1153614526579827
Energy: 1.3429107131761147
Energy: 1.1035363368745943
Energy: 1.1377563424146915
Energy: 1.115361452654774
Energy: 1.3429107131761147
Energy: 1.0481179307794148
Energy: 1.0956229875716628
Energy: 1.159609337969203
Energy: 1.1905398393158515
Energy: 1.0481179307794148
Energy: 1.0956229875685124
Energy: 1.1596093379660526
Energy: 1.129975781667873
Energy: 1.1406816890724538
Energy: 1.281346320905426
Energy: 1.146119147383222
Energy: 1.129975781667873
Energy: 1.1406816890788711
Energy: 1.281346320908635
Energy: 1.0620043246222755
Energy: 1.1154005520377217
Energy: 1.158187208593763
Energy: 1.1192011298587898
Energy: 1.0620043246190671
Energy: 1.1154005520377217
Energy: 1.1581872085905542
Energy: 1.0973166166361616
Energy: 1.0884946714761687
Energy: 1.2645508201168187
Energy: 1.1901254183379646
Energy: 1.0973166166361616
Energy: 1.0884946714761687
Energy: 1.2645508201200275
Energy: 1.0905981916550973
Energy: 1.1256404931890902
Energy: 1.1396030047238157
Energy: 1.0774001821898633
Energy: 1.0905981916518885
Energy: 1.1256404931890902
Energy: 1.1396030047238157
Energy: 1.0984702960273907
Energy: 1.1138906605302261
Energy: 1.1509012505700276
Energy: 1.1496349768290435
Energy: 1.0984702960273907
Energy: 1.1138906605270174
Energy: 1.1509012505700276
Energy: 1.1108402698677555
Energy: 1.0884120223578841
Energy: 1.1474422565284692
Energy: 1.065285156864079
Energy: 1.1108402698645468
Energy: 1.0884120223578841
Energy: 1.1474422565252604
Energy: 1.0896251957474223
Energy: 1.1465943232625444
Energy: 1.169989905575189
Energy: 1.2020340055331482
Energy: 1.0896251957442136
Energy: 1.1465943232625444
Energy: 1.169989905575189
Energy: 1.043161680490091
Energy: 1.1385636479223846
Energy: 1.1998537079210152
Energy: 1.142461310880296
Energy: 1.0431616804868822
Energy: 1.1385636479223846
Energy: 1.1998537079210152
Energy: 1.222015052427615
Energy: 1.147333003853383
Energy: 1.1781053105730444
Energy: 1.1918270057862717
Energy: 1.2220150524244064
Energy: 1.1473330038501743
Energy: 1.1461684806700636
Energy: 1.0373309918502231
Energy: 1.1996820783947622
Energy: 1.1876182567397027
Energy: 1.197385249382307
Energy: 1.0373309918502231
Energy: 1.1996820783947622
Energy: 1.1876182567493283
Energy: 1.2049075592762437
Energy: 1.1239323571939612
Energy: 1.1263204021440636
Energy: 1.1765013281597956
Energy: 1.2049075592730352
Energy: 1.1239323572003785
Energy: 1.1555873849075102
Energy: 1.0446539513392339
Energy: 1.1239515147560044
Energy: 1.1779267904445248
Energy: 1.1529009566425945
Energy: 1.0446539513424427
Energy: 1.1239515147560044
Energy: 1.1779267904445248
Energy: 1.1180465254755554
Energy: 1.1240675001296976
Energy: 1.1907581988267568
Energy: 1.1715871327080796
Energy: 1.118046525478764
Energy: 1.1240675001329061
Energy: 1.190758198836383
Energy: 1.0744966731730514
Energy: 1.085981347759889
Energy: 1.1567089414041223
Energy: 1.1056371802130731
Energy: 1.0744966731730514
Energy: 1.085981347759889
Energy: 1.1567089414041223
Energy: 1.1246363516611253
Energy: 1.0634823813412988
Energy: 1.1918478674828494
Energy: 1.151101624687841
Energy: 1.1246363516611253
Energy: 1.0634823813445073
Energy: 1.1918478674860582
Energy: 1.0583916913061466
Energy: 1.0862085762360534
Energy: 1.0845332063097657
Energy: 1.0958512870189967
Energy: 1.0583916913061466
Energy: 1.0862085762328448
Energy: 1.0845332063065571
Energy: 1.0588374750076206
Energy: 1.0439659265910985
Energy: 1.2134190482885883
Energy: 1.1618338668326431
Energy: 1.0588374750012033
Energy: 1.043965926594307
Energy: 1.213419048291797
Energy: 1.0582813799851176
Energy: 1.0462450830968633
Energy: 1.1215241625826098
Energy: 1.054320914196005
Energy: 1.0582813799787003
Energy: 1.0462450830968633
Energy: 1.1215241625826098
Energy: 1.0751575899465453
Energy: 1.0559956108746533
Energy: 1.2272135770103667
Energy: 1.1553859625425675
Energy: 1.0751575899433365
Energy: 1.0559956108714448
Energy: 1.227213577007158
Energy: 1.0601935701344387
Energy: 1.0268224300519488
Energy: 1.2054754640459358
Energy: 1.0545447722831514
Energy: 1.0601935701344387
Energy: 1.02682243004874
Energy: 1.2054754640491445
Energy: 1.075476080476828
Energy: 1.096580765751333
Energy: 1.3202326236829185
Energy: 1.1702274526962917
Energy: 1.0754760804736192
Energy: 1.0965807657481241
Energy: 1.3202326236829185
Energy: 1.0806396555996922
Energy: 1.0892272305166026
Energy: 1.1728806184411864
Energy: 1.10252026610205
Energy: 1.0806396555996922
Energy: 1.0892272305166026
Energy: 1.1728806184443952
Energy: 1.1562966112458575
Energy: 1.1076297142649816
Energy: 1.3312852156996515
Energy: 1.1666628587999979
Energy: 1.1562966112458575
Energy: 1.1076297142681901
Energy: 1.3312852157028598
Energy: 1.0809526350040768
Energy: 1.1612868060397514
Energy: 1.2326158802658467
Energy: 1.1695611496604303
Energy: 1.0809526350040768
Energy: 1.1612868060397514
Energy: 1.2326158802626381
Energy: 1.151123180517019
Energy: 1.107568726474118
Energy: 1.274903528192057
Energy: 1.1357824118580302
Energy: 1.151123180517019
Energy: 1.107568726474118
Energy: 1.2749035281888486
Energy: 1.0988098525475831
Energy: 1.1137222237606499
Energy: 1.278569886118596
Energy: 1.1041252482779762
Energy: 1.0988098525475831
Energy: 1.1137222237606499
Energy: 1.2785698861153871
Energy: 1.0584400803451977
Energy: 1.108092032072453
Energy: 1.2668582233158652
Energy: 1.1372985728900555
Energy: 1.0584400803419889
Energy: 1.1080920320756618
Energy: 1.2668582233158652

minimum gb energy = 1.02682243004874 eV
minimum distance =  2.27665566071302 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 1.1744204236996438
Energy: 1.1536184509772587
Energy: 1.1533460669941897
Energy: 1.1536184509765353
Energy: 0.978816908171603
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 0.9480648013112276
Energy: 1.1536184509772587
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.9480648012960357
Energy: 1.1533460669956037
Energy: 1.1536184509758118
Energy: 0.9764172549300307
Energy: 1.1536184509758118
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 1.0132531483931395
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 1.1124985293332936
Energy: 1.1536184509772587
Energy: 1.1533460669934663
Energy: 1.1536184509772587
Energy: 1.005319311905022
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 1.0744370666544076
Energy: 1.1536184509765353
Energy: 1.1533460669956037
Energy: 1.1536184509758118
Energy: 0.9937849505766359
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.9788130033449203
Energy: 1.1536184509765353
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 1.266161692350274
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 1.0822563593358443
Energy: 1.1536184509772587
Energy: 1.1533460669934663
Energy: 1.1536184509772587
Energy: 1.2299169775617451
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 1.0744370639340832
Energy: 1.153618450977982
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 1.266161692350274
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.9480648012020226
Energy: 1.1536184509758118
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 1.0132531431592926
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 1.1074711860506192
Energy: 1.1536184509765353
Energy: 1.1533460669934663
Energy: 1.153618450977982
Energy: 1.005324096338552
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 1.0132531545222299
Energy: 1.1536184509772587
Energy: 1.1533460669956037
Energy: 1.1536184509758118
Energy: 1.0744370642754102
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.9480648011376704
Energy: 1.1536184509758118
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 0.9480648011883104
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 0.9480648012866311
Energy: 1.1536184509772587
Energy: 1.1533460669934663
Energy: 1.1536184509772587
Energy: 0.9788152221516613
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 0.9480648012548331
Energy: 1.153618450977982
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.9480648012338537
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.9480648012222788
Energy: 1.1536184509765353
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 0.9480648012258959
Energy: 1.1533460669956037
Energy: 1.153618450977982
Energy: 0.9480648013603878
Energy: 1.153618450977982
Energy: 1.1533460669941897
Energy: 1.1536184509772587
Energy: 0.978813986962919
Energy: 1.1533460669949132
Energy: 1.1536184509772587
Energy: 0.9480648012331302
Energy: 1.153618450977982
Energy: 1.1533460669956037
Energy: 1.1536184509758118
Energy: 0.9480648013408882
Energy: 1.1533460669956037
Energy: 1.1536184509765353
Energy: 0.94806480127795
Energy: 1.1536184509765353
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 0.9480648012164914
Energy: 1.1533460669956037
Energy: 1.1536184509772587
Energy: 0.9480648012360239
Energy: 1.1536184509772587
Energy: 1.1533460669934663
Energy: 1.1536184509772587
Energy: 1.0132531470546964
Energy: 1.1533460669949132
Energy: 1.1536184509772587
Energy: 0.9480648012519393
Energy: 1.153618450977982
Energy: 1.1533460669956037
Energy: 1.1536184509758118
Energy: 0.9937849505433908

minimum gb energy = 0.9480648011376704 eV
minimum distance =  2.33140320846732 Angstroms
sigma value = 23