Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850243076682091
cohesive_energy=4.290676325982293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.70678274643386e-19, 2.7031763951184596e-19, 3.4023182128970396e-19, 3.9109932724257e-19, 4.33782914948964e-19, 4.702772943182159e-19, 5.01852991421088e-19, 5.29378385993208e-19, 5.53486337805006e-19, 5.7465269331678e-19, 5.93247555330984e-19, 6.095673265249079e-19, 6.23850731217018e-19, 6.36299643663198e-19, 6.4707908805675e-19, 6.56333260294734e-19, 6.641839258013339e-19, 6.707384304110279e-19, 6.760864960153199e-19, 6.803130379758119e-19, 6.834885520644e-19, 6.85681931876346e-19, 6.86968479713448e-19, 6.873882499915559e-19, 6.8693483400413395e-19, 6.85472046737292e-19, 6.82822046584656e-19, 6.78781357113708e-19, 6.731080496527139e-19, 6.655105280542859e-19, 6.556443243421139e-19, 6.430864638848219e-19, 6.27329056689432e-19, 6.07750458221952e-19, 5.83591236757866e-19, 5.53910914613016e-19, 5.1754310719785e-19, 4.73017016362356e-19, 4.18474117211094e-19, 3.51539983972476e-19, 2.6913202880268595e-19, 1.67222379643848e-19, 4.0439418895150196e-20, -1.1846574140627699e-19, -3.19680701605386e-19, -5.78400184463706e-19, -9.1846377720684e-19, -1.3793763490993258e-18, -2.03101523185644e-18, -3.0073656508496995e-18, -4.594609998620819e-18, -7.47873622278324e-18, -1.352736958205808e-17, -2.85706546081416e-17]
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: 0.01630199471662238
Energy: 1.3750355515798507
Energy: 1.2795029523955064
Energy: 0.017015937425541822
Energy: 0.016847284135869913
Energy: 1.3762503411363216
Energy: 0.016681627298407626
Energy: 0.16224387736306048
Energy: 0.2001565562917207
Energy: 0.16179179908101965
Energy: 0.16199686105495464
Energy: 0.19884574509955782
Energy: 0.1990953363641515
Energy: 0.16222205038003687
Energy: 0.16240644430893003
Energy: 0.19889679797458204
Energy: 0.19879938379741613
Energy: 0.16231005879308544
Energy: 0.1620662584709107
Energy: 0.19926418668104698
Energy: 0.16200607806752174
Energy: 0.16254800115330584
Energy: 0.19883960514667184
Energy: 0.19995240717281523
Energy: 0.16203275421600738
Energy: 0.1627305817962222
Energy: 0.1994562096555619
Energy: 0.16180979938072212
Energy: 0.16201730214694718
Energy: 0.19934806764879842
Energy: 0.19902198032650692
Energy: 0.1622338785562955
Energy: 0.1618037714418775
Energy: 0.19881213420415775
Energy: 0.16293583562557687
Energy: 0.01662906893751737
Energy: 0.19885445119947823
Energy: 0.16179558668919625
Energy: 0.01718280450533701
Energy: 0.017275576222008676
Energy: 0.19912658518593052
Energy: 0.16210367287841468

minimum gb energy = 0.01630199471662238 eV
minimum distance =  2.43801598117511 Angstroms
sigma value = 5


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

Energy: 2.42324474154339
Energy: 1.2662371844756748
Energy: 1.1784903541137068
Energy: 1.2767573419241625
Energy: 1.198204596606675
Energy: 1.1655392607697015
Energy: 1.270244602871907
Energy: 1.1955178651288043
Energy: 1.169035279959796
Energy: 1.1979197503137817
Energy: 1.195974765348418
Energy: 1.162537726422806
Energy: 1.2294180054207915
Energy: 1.2059829495432484
Energy: 1.1701926646831031
Energy: 1.2100660229925637
Energy: 1.1985418635526572
Energy: 1.182702735682296
Energy: 1.1886815995691313
Energy: 1.2225127604345205
Energy: 1.1817534915919863
Energy: 1.1704280486443015
Energy: 1.2113068013677557
Energy: 1.1894805432439406
Energy: 1.1711220997607534
Energy: 1.1889028213038306
Energy: 1.1999800973350618
Energy: 1.1753129316346362
Energy: 1.16789700007586
Energy: 1.198863743893548
Energy: 1.188220758427513
Energy: 1.1759400609580384
Energy: 1.1867015158062362
Energy: 1.2013811804726466
Energy: 1.1810143020500337
Energy: 1.2098896313134282
Energy: 1.1793863206799633
Energy: 1.181448694256333
Energy: 1.2029101602703949
Energy: 1.216157500304278
Energy: 1.178540014708702
Energy: 1.1916064313902248
Energy: 1.2098522560754497
Energy: 1.1694809378315805
Energy: 1.1789242025587667
Energy: 1.2040310812908277
Energy: 1.1802526879026516
Energy: 1.1715032317159417
Energy: 1.1943575245306879
Energy: 1.2070445778068104
Energy: 1.1667970303716761
Energy: 1.1759384760324796
Energy: 1.1950133302034704
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Energy: 1.1729449052306928
Energy: 1.175688590053527
Energy: 1.1564343673850117
Energy: 1.131541042850105
Energy: 1.1910160994493215
Energy: 1.1325800746030656
Energy: 1.1384982009766005
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Energy: 1.1459080608582757
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Energy: 1.1408810939749987
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Energy: 1.1297107347033502
Energy: 1.127457866361229
Energy: 1.1481686497332728
Energy: 1.201882592533668
Energy: 1.19437323539447
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Energy: 1.229122070248453
Energy: 1.1882767185385092
Energy: 1.203383314188705
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Energy: 1.1699340896130734
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Energy: 1.2000613053076024
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Energy: 1.1488905651556207
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Energy: 1.132411884516802
Energy: 1.1682503883487123
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Energy: 1.1569540280157977
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Energy: 1.1365024241810584
Energy: 1.1622489151993884
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Energy: 1.1543481354374479
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Energy: 1.2149594018411225
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Energy: 1.159294645003045
Energy: 1.124378870409692
Energy: 1.1085644431002377
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Energy: 1.1801515890336725
Energy: 1.1274788428157132
Energy: 1.1043501508206102
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Energy: 1.125016343669015
Energy: 1.1073055397708254
Energy: 1.1625237561459734
Energy: 1.1518392031276246
Energy: 1.1054556039329095
Energy: 1.1508040999958002
Energy: 1.1746139806596183
Energy: 1.1228003995989477
Energy: 1.1593425590947983
Energy: 1.1862533979819596
Energy: 1.1627136245516874
Energy: 1.151170414967056
Energy: 1.1242104994969189
Energy: 1.1061340223512175
Energy: 1.2582790546057694
Energy: 1.1799367869452893
Energy: 1.1207057293772227
Energy: 1.1069751756517436
Energy: 1.152792760420232
Energy: 1.1361045103604055
Energy: 1.1081159034962127
Energy: 1.2156622395968613
Energy: 1.1582136815070057
Energy: 1.1179950798740967
Energy: 1.1230675010380735
Energy: 1.1620900574739697
Energy: 1.12484497219879
Energy: 1.1054260394805464
Energy: 1.150640027662536
Energy: 1.1182515415827001
Energy: 1.1492490995294915
Energy: 1.1526913067025168
Energy: 1.1054344832744176
Energy: 1.1239313835545384
Energy: 1.1632907612986665
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Energy: 1.186971464289251
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Energy: 1.1847609542032147
Energy: 1.260669915244004
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Energy: 1.1536416673142835
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Energy: 1.132265825485277
Energy: 1.161382063423289
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Energy: 1.1233529153124362
Energy: 1.1451112797023832
Energy: 1.1486739854257326
Energy: 1.1234866219641446
Energy: 1.1010236918429421
Energy: 1.135524993881049
Energy: 1.1178779278315687
Energy: 1.1057781180270894
Energy: 1.174260249483559
Energy: 1.2281781850551192
Energy: 1.167758578832457
Energy: 1.105335246294153
Energy: 1.127506033229546
Energy: 1.1372808380386383
Energy: 1.1075118652023517
Energy: 1.156710810536852
Energy: 1.1549495573346402
Energy: 1.142912540435336
Energy: 1.1500951378352084
Energy: 1.1871228604803832
Energy: 1.146697617819515
Energy: 1.1613810586350517
Energy: 1.1999451221928845
Energy: 1.134634193427384
Energy: 1.1416437000057524
Energy: 1.1497893796857404
Energy: 1.1398943522921217
Energy: 1.1477217826738977
Energy: 1.1628364359138432
Energy: 1.1460832657068867
Energy: 1.1382583516626181
Energy: 1.1428293764870354
Energy: 1.1569607766224377
Energy: 1.1390430808321368
Energy: 1.149414426093294
Energy: 1.1695170423862586
Energy: 1.152076494505901
Energy: 1.1761236663128465
Energy: 1.1787163697650669
Energy: 1.1509592733320297
Energy: 1.2456222588225245
Energy: 1.180843419787796
Energy: 1.1742991773432876
Energy: 1.1801790711317675
Energy: 1.1668371140611236
Energy: 1.2163010183833192
Energy: 1.193137056856067
Energy: 1.1707339033991027
Energy: 1.174188816486004
Energy: 1.2005559286714738
Energy: 1.1738490162229156
Energy: 1.1663904859473888
Energy: 1.208096702360357
Energy: 1.1980288181951113
Energy: 1.1803791371781946
Energy: 1.1886342646590746
Energy: 1.203698792273058
Energy: 1.1786069954284937
Energy: 1.1667942140639667
Energy: 1.1356495985838058
Energy: 1.1845871556976075
Energy: 1.2054779251099639
Energy: 1.1905842547812364
Energy: 1.1919700277215006
Energy: 1.1766424665069686
Energy: 1.173879333165525
Energy: 1.1924321848089932
Energy: 1.1350584508146284
Energy: 1.1277625239659788
Energy: 1.1270893595152178
Energy: 1.1501175805314343
Energy: 1.1336669443000726

minimum gb energy = 1.1010236918429421 eV
minimum distance =  2.26869456976129 Angstroms
sigma value = 401


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

Energy: 2.0184872177300672
Energy: 1.2645185476038752
Energy: 1.266457591220664
Energy: 1.1624216643712202
Energy: 1.207711373866879
Energy: 1.2548620724976292
Energy: 1.220883852564283
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Energy: 1.1940750341817283
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Energy: 1.1932471458279112
Energy: 1.1813347185332286
Energy: 1.1801259615021944
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Energy: 1.1923977950573903
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Energy: 1.2098763778342778
Energy: 1.2061900190057044
Energy: 1.2883892344555279
Energy: 1.2224170707596935
Energy: 1.330757126245712
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Energy: 1.3068897500882697
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Energy: 1.1662683540333891
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Energy: 1.1448154793158016
Energy: 1.2628479885438837
Energy: 1.114716504603976
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Energy: 1.2524144369405223
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Energy: 1.1103611930284976
Energy: 1.1411186263954283
Energy: 1.1852987400368749
Energy: 1.1131771871468326
Energy: 1.1142820427811233
Energy: 1.1909371655262606
Energy: 1.1430232283406143
Energy: 1.1669756561678288
Energy: 1.1692878274470697
Energy: 1.213039025751662
Energy: 1.1660132808093757
Energy: 1.162851119774242
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Energy: 1.163155926064677
Energy: 1.166980240307561
Energy: 1.1779225132536633
Energy: 1.19348738447223
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Energy: 1.1739603271330141
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Energy: 1.202642778962736
Energy: 1.193433608671811
Energy: 1.1919407124133927
Energy: 1.2054995693056492
Energy: 1.2548074936277045
Energy: 1.1952206959419105
Energy: 1.3397759030051772
Energy: 1.2534529119203288
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Energy: 1.2507067813474733
Energy: 1.2650121120711613
Energy: 1.2438815222655482
Energy: 1.2592369714632257
Energy: 1.3381804536855442
Energy: 1.237399122812123
Energy: 1.2402580125844693
Energy: 1.2501560564812755
Energy: 1.2601664838586997
Energy: 1.2406570304697047
Energy: 1.2391698836795455
Energy: 1.3417743832443674
Energy: 1.2437305996264485
Energy: 1.2381113033269957
Energy: 1.2387631007971098
Energy: 1.2427044903322557
Energy: 1.2393815035949507
Energy: 1.2392066158204185
Energy: 1.1953322353245257
Energy: 1.1915787030826654
Energy: 1.1845626489731151
Energy: 1.2142793862406316
Energy: 1.1982097343943205
Energy: 1.1842078606256998
Energy: 1.264302819423616
Energy: 1.2592290408282616
Energy: 1.190411394657204
Energy: 1.1574979967877757
Energy: 1.2043917374420876
Energy: 1.1911774878495454
Energy: 1.1548101012249137
Energy: 1.202442640870968
Energy: 1.1889999761808614
Energy: 1.1892147936961692
Energy: 1.1851088173247881
Energy: 1.2105989520057903
Energy: 1.1870707776429623
Energy: 1.2135862849046346
Energy: 1.240401814521369
Energy: 1.3434497617258532
Energy: 1.2409448684088253
Energy: 1.2378710459037023
Energy: 1.2391665874292355
Energy: 1.2422038559357906
Energy: 1.2394282918131039
Energy: 1.2396091637660955
Energy: 1.3414516836890418
Energy: 1.2378991454670603
Energy: 1.2429374788700729
Energy: 1.2460836558835242
Energy: 1.2438432414407306
Energy: 1.2433068204937185
Energy: 1.243282150457953
Energy: 1.342899112239325
Energy: 1.243254097161586
Energy: 1.2431824408867258
Energy: 1.239682252108407
Energy: 1.2422102315767334
Energy: 1.237742395255099
Energy: 1.2439706636107377
Energy: 1.1770089168190032
Energy: 1.1884423035662361
Energy: 1.179850465150031
Energy: 1.2050457098484437
Energy: 1.186021959195689
Energy: 1.209194924085144
Energy: 1.1787106500815658
Energy: 1.170126519710104
Energy: 1.1806206614409325
Energy: 1.179910839977138
Energy: 1.168969326332489
Energy: 1.1915179345203848
Energy: 1.214986687036926
Energy: 1.1659797247466754
Energy: 1.1675640856241034
Energy: 1.1592435555487803
Energy: 1.1843423804077218
Energy: 1.1672922707153772
Energy: 1.1715053521813474
Energy: 1.174923072221256
Energy: 1.16920973352818
Energy: 1.1867703710689201
Energy: 1.1881318539096266
Energy: 1.2042526349063083
Energy: 1.1887838206707362
Energy: 1.1924523973135122
Energy: 1.2276396684268451
Energy: 1.1881359668666474
Energy: 1.1853101712325012
Energy: 1.1653447557068304
Energy: 1.2767592877596843
Energy: 1.1880769844160817
Energy: 1.1901020808951448
Energy: 1.2303800440229828
Energy: 1.2439788664558684
Energy: 1.1968999016895303
Energy: 1.1641383513898371
Energy: 1.2118130792618933
Energy: 1.1898419495104786
Energy: 1.1592921797356075
Energy: 1.2264353403261767
Energy: 1.1980570555352594
Energy: 1.1483538800634072
Energy: 1.169317898300236
Energy: 1.1877072516358653
Energy: 1.1484643100098446
Energy: 1.149222990135583
Energy: 1.1839900761341542
Energy: 1.1813931987252821

minimum gb energy = 1.1103611930284976 eV
minimum distance =  2.18821039135963 Angstroms
sigma value = 311


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

Energy: 1.3773397483381555
Energy: 1.3378280608272426
Energy: 1.2810921269650242
Energy: 1.3106628264389084
Energy: 1.3272875272411393
Energy: 1.2674237390233274
Energy: 1.302433222713656
Energy: 1.1978396171402501
Energy: 1.1729805356091305
Energy: 1.1638288103294225
Energy: 1.1747110675975427
Energy: 1.178199129274559
Energy: 1.17481535134492
Energy: 1.1593480106878744
Energy: 1.1851801004827298
Energy: 1.1714447123512153
Energy: 1.1586638294567735
Energy: 1.192366242246182
Energy: 1.180626655834524
Energy: 1.1589334681464292
Energy: 1.1582487174561933
Energy: 1.1835367555508893
Energy: 1.2083961072882379
Energy: 1.1769225908308374
Energy: 1.1611489231501808
Energy: 1.1964736177800517
Energy: 1.1736058079454157
Energy: 1.2022230811341943
Energy: 1.1843686142948828
Energy: 1.200493920115647
Energy: 1.2056809949992848
Energy: 1.177111557283804
Energy: 1.18168682017344
Energy: 1.2004631521921165
Energy: 1.1771622309039818
Energy: 1.2814888042969355
Energy: 1.1903939470688107
Energy: 1.3058184538119662
Energy: 1.3002271068891769
Energy: 1.2925159370441353
Energy: 1.3054081280544838
Energy: 1.3034656281160308
Energy: 1.2838934995390439
Energy: 1.2824260807131458
Energy: 1.3025224609101045
Energy: 1.3065896728212059
Energy: 1.1877253996754995
Energy: 1.3001633407270148
Energy: 1.293161240363522
Energy: 1.1818836528404644
Energy: 1.1861769318634805
Energy: 1.183928052293242
Energy: 1.1842545694043118
Energy: 1.1877093604303888
Energy: 1.1827542378265705
Energy: 1.1770627994128735
Energy: 1.2172389453950478
Energy: 1.181191764241345
Energy: 1.1869631456312324
Energy: 1.1727323811092103
Energy: 1.201830613706557
Energy: 1.1611990534523238
Energy: 1.1767751018946513
Energy: 1.2460917579000663
Energy: 1.2694099615254837
Energy: 1.2722520572887337
Energy: 1.2611093134399578
Energy: 1.1986281475434148
Energy: 1.2697944203618945
Energy: 1.2742482595337206
Energy: 1.1796571501468314
Energy: 1.1654279616141319
Energy: 1.1692974378508527
Energy: 1.1796739416226398
Energy: 1.1815786768398506
Energy: 1.167455191869049
Energy: 1.2035738818624069
Energy: 1.2809021117705448
Energy: 1.2776629563226372
Energy: 1.2354238069094663
Energy: 1.2945171604824737
Energy: 1.271801857410069
Energy: 1.1802094543139763
Energy: 1.3246419259239024
Energy: 1.2773524020101903
Energy: 1.2742882973120369
Energy: 1.3033016951699035
Energy: 1.3051388757367433
Energy: 1.266939260377426
Energy: 1.3274498338384708
Energy: 1.3135308795942735
Energy: 1.171189681641626
Energy: 1.1538270479573245
Energy: 1.1766358172331557
Energy: 1.1772372613730469
Energy: 1.1750292048253412
Energy: 1.159062382187715
Energy: 1.17900470641292
Energy: 1.1730176345786067
Energy: 1.1832827006937932
Energy: 1.23936103623803
Energy: 1.180786781445624
Energy: 1.1667446036289562
Energy: 1.1874560480647487
Energy: 1.1867770361137757
Energy: 1.2065984390863065
Energy: 1.224673684108797
Energy: 1.1742216733933353
Energy: 1.195501116704134
Energy: 1.2379639149253985
Energy: 1.2207488892707943
Energy: 1.209520009150578
Energy: 1.195038700246128
Energy: 1.2055914000993246
Energy: 1.1856958915925155
Energy: 1.1814121878050257
Energy: 1.2056502245288387
Energy: 1.1814776810748564
Energy: 1.182654100038421
Energy: 1.2890730076545938
Energy: 1.3069975632607211
Energy: 1.2995268640694764
Energy: 1.291395195773514
Energy: 1.2024432161222403
Energy: 1.304741757339703
Energy: 1.2972631759797324
Energy: 1.2819097564626105
Energy: 1.2939251683400512
Energy: 1.1856407714182244
Energy: 1.1882915266484388
Energy: 1.2997855838880799
Energy: 1.3066438560380886
Energy: 1.2851456955573133
Energy: 1.177515072680453
Energy: 1.1830133897881094
Energy: 1.1842834956593293
Energy: 1.187996146437934
Energy: 1.183176624650627
Energy: 1.1844809464639616
Energy: 1.1821685056718996
Energy: 1.2711188721549143
Energy: 1.2734594555933698
Energy: 1.2501194009413625
Energy: 1.2638264208773602
Energy: 1.205432418812933
Energy: 1.271942864330704
Energy: 1.2068294962409494
Energy: 1.2707537223282062
Energy: 1.1876124546489957
Energy: 1.1875120210375691
Energy: 1.2038947114009741
Energy: 1.1924387291364047
Energy: 1.2065780964684016
Energy: 1.202830863441358
Energy: 1.1688866186624085
Energy: 1.207745120472651
Energy: 1.199267728390082
Energy: 1.1884198029115842
Energy: 1.1685774399075166
Energy: 1.1796763340244492
Energy: 1.1792862158438442
Energy: 1.2772260487322382
Energy: 1.3244768402823344
Energy: 1.29494102142972
Energy: 1.1701764977368976
Energy: 1.1995844637694
Energy: 1.3137770493838978
Energy: 1.2793581029610215
Energy: 1.2762547744614585
Energy: 1.2120065396973054
Energy: 1.1994039319113574
Energy: 1.266634297480165
Energy: 1.301324411640976
Energy: 1.1993742555232862
Energy: 1.283663179222826
Energy: 1.1529340109244994
Energy: 1.1911323950278274
Energy: 1.1774628420384876
Energy: 1.1598459481840486
Energy: 1.159191905259941
Energy: 1.1811666955232927
Energy: 1.1740110585098513
Energy: 1.1777762468722668
Energy: 1.232740520508514
Energy: 1.26680031090121
Energy: 1.1807175177191425
Energy: 1.2481581335508
Energy: 1.1980934348225172
Energy: 1.1752923932424229
Energy: 1.1839174716599985
Energy: 1.1907784159310102
Energy: 1.247355258539312
Energy: 1.1898521324046751
Energy: 1.1986297992680894
Energy: 1.1964717339147832
Energy: 1.2043121154827103
Energy: 1.2218851378559012
Energy: 1.1872519246712612
Energy: 1.19056461955001
Energy: 1.2223026985737
Energy: 1.182153528299004
Energy: 1.1830494967959384
Energy: 1.2169281440692428
Energy: 1.3013125251679745
Energy: 1.3333967097737522
Energy: 1.3399662395998544
Energy: 1.3051336325922787
Energy: 1.3041846568873137
Energy: 1.3009550981249212
Energy: 1.2809961015274447
Energy: 1.2943311804039903
Energy: 1.2817433217854388
Energy: 1.1890832189046883
Energy: 1.1830599812465963
Energy: 1.1861606479547002
Energy: 1.1887067590404807
Energy: 1.2820323852742919
Energy: 1.1772827974210731
Energy: 1.1814452877918298
Energy: 1.186273726434187
Energy: 1.184100566918667
Energy: 1.1845233314989854
Energy: 1.1880194426761475
Energy: 1.1828798022660192
Energy: 1.27500033413273
Energy: 1.2498675453732422
Energy: 1.263606519943781
Energy: 1.2182329816706294
Energy: 1.2776967247830415
Energy: 1.2161739238954898
Energy: 1.2767247547059644
Energy: 1.2093186759542223
Energy: 1.1761975553515065
Energy: 1.2040682538725502
Energy: 1.1622906012629273
Energy: 1.1868029696391718
Energy: 1.2039652939647707
Energy: 1.1650978145522717
Energy: 1.2038531345703698
Energy: 1.2939103984415412
Energy: 1.1667526362179075
Energy: 1.1702214585457387
Energy: 1.179640138708915
Energy: 1.1957639939883031
Energy: 1.164591110595506
Energy: 1.3216116486450107
Energy: 1.2779375675298383
Energy: 1.267672381922935
Energy: 1.3072049990824741
Energy: 1.3156176757408182
Energy: 1.2736051703586033
Energy: 1.3033999052573884

minimum gb energy = 1.1529340109244994 eV
minimum distance =  2.19771871888235 Angstroms
sigma value = 39


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

Energy: 1.498456558650401
Energy: 1.1966299903166673
Energy: 1.162494538839425
Energy: 1.2780066503759522
Energy: 1.2574137103804843
Energy: 1.1658587872499153
Energy: 1.2572088504748693
Energy: 1.199509014942149
Energy: 1.1118912692637315
Energy: 1.156315618177449
Energy: 1.199386318176377
Energy: 1.1565792313527805
Energy: 1.1114539275708462
Energy: 1.1997372929306322
Energy: 1.1999490088034142
Energy: 1.111007158203242
Energy: 1.1562920146681037
Energy: 1.1994639554551572
Energy: 1.155242876485931
Energy: 1.1106548875052946
Energy: 1.1564193510857914
Energy: 1.212470759906034
Energy: 1.0768047599707937
Energy: 1.1951773341470593
Energy: 1.1916494577836736
Energy: 1.0790371643802332
Energy: 1.0764596758070952
Energy: 1.19571750606426
Energy: 1.1522257616012708
Energy: 1.1102888721378763
Energy: 1.1535167792491334
Energy: 1.154068769385601
Energy: 1.1100082104143592
Energy: 1.1111012219174814
Energy: 1.1541101762393449
Energy: 1.171287264708866
Energy: 1.0999810653679938
Energy: 1.1504505292750404
Energy: 1.1469579197897888
Energy: 1.111064729469957
Energy: 1.1029069062843817
Energy: 1.1473516366247096
Energy: 1.1458597353902686
Energy: 1.0940355750663797
Energy: 1.0922278602992763
Energy: 1.1872145359813366
Energy: 1.0929131136924066
Energy: 1.0992483897166203
Energy: 1.1461825384910518
Energy: 1.147181323097288
Energy: 1.1032642707097686
Energy: 1.1096660969817351
Energy: 1.1478620060518128
Energy: 1.1528329842322196
Energy: 1.0999022185076943
Energy: 1.1524468367829734
Energy: 1.1955085938119494
Energy: 1.1951278639014484
Energy: 1.1031898189297877
Energy: 1.1955525252813617
Energy: 1.1951939682445576
Energy: 1.0944304871534045
Energy: 1.1544051502849029
Energy: 1.1957243610903314
Energy: 1.1951035532051646
Energy: 1.1889834557436452
Energy: 1.2537777715405027
Energy: 1.1948506282557456
Energy: 1.216287806060751
Energy: 1.192871239360517
Energy: 1.1544492099027104
Energy: 1.1112295018597216
Energy: 1.155191990828754
Energy: 1.2010305692870338
Energy: 1.1552733069666083
Energy: 1.1102067878687685
Energy: 1.201176810003982
Energy: 1.1911119980700393
Energy: 1.0792631484927981
Energy: 1.1562561117472454
Energy: 1.1997653306551752
Energy: 1.1556967515496803
Energy: 1.110434887048787
Energy: 1.211412391801167
Energy: 1.2120598340889785
Energy: 1.0770252968974976
Energy: 1.309900910388575
Energy: 1.257829175033078
Energy: 1.0769335075731081
Energy: 1.076799688663731
Energy: 1.3097254385908714
Energy: 1.1996286099047637
Energy: 1.109290508424693
Energy: 1.1548340686379786
Energy: 1.2022198513562394
Energy: 1.155070830975247
Energy: 1.1110221596222278
Energy: 1.1994112125550322
Energy: 1.2033048859309665
Energy: 1.1952723335033337
Energy: 1.1557593363766963
Energy: 1.1992934107482631
Energy: 1.1973075342062487
Energy: 1.111398074310241
Energy: 1.1992912925364656
Energy: 1.3093341890326131
Energy: 1.231402540516496
Energy: 1.1614729944194726
Energy: 1.277699348304992
Energy: 1.2778496540167272
Energy: 1.220163401330338
Energy: 1.258672128748144
Energy: 1.1996490591942766
Energy: 1.111547376294098
Energy: 1.1562012044022998
Energy: 1.1992786966084035
Energy: 1.154071531934962
Energy: 1.1107165297617936
Energy: 1.2001698507119638
Energy: 1.19974297483132
Energy: 1.1110077098739606
Energy: 1.1563330360563744
Energy: 1.1994430370691551
Energy: 1.1554100691943638
Energy: 1.1108762086919306
Energy: 1.155745608118143
Energy: 1.2125888360463772
Energy: 1.0767508744041059
Energy: 1.1953989573378487
Energy: 1.1916191456913185
Energy: 1.0770025210197294
Energy: 1.0765710480052473
Energy: 1.1956026760467708
Energy: 1.1523198341847563
Energy: 1.1101796661024028
Energy: 1.1564107438790838
Energy: 1.154136567425367
Energy: 1.1098604915224766
Energy: 1.1107078282319995
Energy: 1.154284366781849
Energy: 1.14619457309398
Energy: 1.0999329463661676
Energy: 1.1510788316556195
Energy: 1.1470054891209938
Energy: 1.1109880955386306
Energy: 1.1022541566501158
Energy: 1.147590485314313
Energy: 1.1458931476409904
Energy: 1.0943106894989978
Energy: 1.0922919886497544
Energy: 1.18749710542143
Energy: 1.092832059976527
Energy: 1.0994179965196942
Energy: 1.1462225616664146
Energy: 1.1471395938130224
Energy: 1.1032280258510776
Energy: 1.1095105419746192
Energy: 1.1478173686606588
Energy: 1.1529631286905406
Energy: 1.100014725694496
Energy: 1.1529447109424662
Energy: 1.1955302649772879
Energy: 1.1952709277887712
Energy: 1.1034418720260863
Energy: 1.1955736092928744
Energy: 1.195145634285521
Energy: 1.0946303473366892
Energy: 1.1961935041405405
Energy: 1.1958057395404145
Energy: 1.1950662818962257
Energy: 1.205495016259103
Energy: 1.2536352575497862
Energy: 1.194870539881411
Energy: 1.2159116170635196
Energy: 1.1916622343628134
Energy: 1.1545197605339403
Energy: 1.1123922599316187
Energy: 1.155303905780462
Energy: 1.2009084143086053
Energy: 1.1554477532992706
Energy: 1.110345331723374
Energy: 1.2017257778356794
Energy: 1.1908139450746085
Energy: 1.0790866468181946
Energy: 1.1539633232953292
Energy: 1.2095428067051406
Energy: 1.155008067095584
Energy: 1.1106016414254538
Energy: 1.26005860755737
Energy: 1.2119900159104235
Energy: 1.0767295988721726
Energy: 1.309940051815299
Energy: 1.2576891463435944
Energy: 1.0765025073548034
Energy: 1.0783243123817086
Energy: 1.3098490995388077
Energy: 1.1997429769485957
Energy: 1.10918120013871
Energy: 1.1550441268396512
Energy: 1.2032435400015657
Energy: 1.154853563728375
Energy: 1.111080896307525
Energy: 1.1995714013826395
Energy: 1.260421226513845
Energy: 1.1954109989963324
Energy: 1.1548296725671252
Energy: 1.1992398287126482
Energy: 1.196891184211055
Energy: 1.1104438178499838
Energy: 1.1992495110607133

minimum gb energy = 1.0764596758070952 eV
minimum distance =  2.27976556549561 Angstroms
sigma value = 21


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

Energy: 1.700673639882583
Energy: 1.1869605694767313
Energy: 1.0990642183649764
Energy: 1.1485576202046845
Energy: 1.1521275064786851
Energy: 1.0314461771428527
Energy: 1.1521819138176324
Energy: 1.076166942941498
Energy: 1.0843862428551807
Energy: 1.0692667067508104
Energy: 1.121957272391713
Energy: 1.0683823951944436
Energy: 1.069228791059639
Energy: 1.200963999804359
Energy: 1.0085592689890648
Energy: 1.0681388475873204
Energy: 1.1140451507807687
Energy: 1.127314518345969
Energy: 1.0691869600755841
Energy: 1.0694411946122002
Energy: 1.1142910410059954
Energy: 1.1796624868502017
Energy: 1.0309293555302352
Energy: 1.0496672200251338
Energy: 1.093243822504412
Energy: 1.0308886731813618
Energy: 1.0494416373757018
Energy: 1.094281502456841
Energy: 1.0464182369201749
Energy: 1.0297243836031844
Energy: 1.1061459188156348
Energy: 1.0694942574270476
Energy: 1.0699835630628711
Energy: 1.0492672815972324
Energy: 1.0932877646975518
Energy: 1.0363992327447018
Energy: 1.0699577143925152
Energy: 1.1007239938217885
Energy: 1.0688668869874303
Energy: 1.0702949551890932
Energy: 1.0698214821782381
Energy: 1.1425551113095784
Energy: 0.9979378270206519
Energy: 1.0554858565769267
Energy: 1.0043475240398039
Energy: 1.0610494153574082
Energy: 0.9979167504749982
Energy: 1.0563786064935683
Energy: 1.0042763965976174
Energy: 0.9985444228974834
Energy: 0.9977945391455385
Energy: 1.0451180126013198
Energy: 1.0133093279844685
Energy: 0.9971720594517601
Energy: 1.0548133217529838
Energy: 0.9859734928737957
Energy: 1.0351705736081769
Energy: 0.9970018522962105
Energy: 1.0329410142741542
Energy: 1.0339055221233595
Energy: 0.9973110587338141
Energy: 1.0553069439019982
Energy: 1.0535951297663995
Energy: 0.9746341698467264
Energy: 0.9742551200255676
Energy: 1.0649478695061072
Energy: 0.9749460641983764
Energy: 0.975367991377618
Energy: 0.9695647417190432
Energy: 1.018590657471603
Energy: 1.0140281053279867
Energy: 1.0175557182387025
Energy: 0.9750444351893757
Energy: 1.0541371499324415
Energy: 0.975233345408932
Energy: 0.975211105714353
Energy: 1.0517589298791952
Energy: 1.0188768622804445
Energy: 0.9746441852991979
Energy: 1.013981875950669
Energy: 1.0507673208590564
Energy: 0.9749272846608246
Energy: 1.0183242852600003
Energy: 1.0544748961785992
Energy: 0.9940312443050967
Energy: 0.9977433437273396
Energy: 0.9742836277358184
Energy: 0.9749045432496939
Energy: 1.0637563321787906
Energy: 0.9746228198169042
Energy: 0.9748745815624268
Energy: 1.0448451740926117
Energy: 0.9875068903761814
Energy: 0.9740835106529909
Energy: 1.0865725276477232
Energy: 0.9880725355166794
Energy: 0.9745074422556084
Energy: 0.9750490754796011
Energy: 1.0464079484467645
Energy: 1.0562948102047247
Energy: 0.9975219232891741
Energy: 1.0136645971605323
Energy: 1.072878311153051
Energy: 0.9983425033110355
Energy: 1.012861597492755
Energy: 1.0906285764978803
Energy: 1.0548416464579673
Energy: 0.9971637068006164
Energy: 1.0129641078849276
Energy: 1.0385222818814575
Energy: 0.9975177744889147
Energy: 1.0135679598633316
Energy: 1.0901364835969432
Energy: 1.0550922848332018
Energy: 0.9975739220586022
Energy: 1.0843663939515695
Energy: 1.0380840548926102
Energy: 0.9975977568778739
Energy: 1.0347471481201038
Energy: 1.1142766271556621
Energy: 1.0683191261888991
Energy: 1.0704722938666835
Energy: 1.0812791211330084
Energy: 1.0694084261320673
Energy: 1.0712744518093231
Energy: 1.1275185478161716
Energy: 1.0985545189053005
Energy: 1.0496680840209973
Energy: 1.0992290386299903
Energy: 1.0924931959719968
Energy: 1.0494657497210438
Energy: 1.0291701053881008
Energy: 1.0592499840939824
Energy: 1.11423084729159
Energy: 1.0693062443175843
Energy: 1.0686009004701393
Energy: 1.0701757164204102
Energy: 1.0690789631435347
Energy: 1.0673097465382466
Energy: 1.136412338031282
Energy: 1.1143796866559283
Energy: 1.0678818170690245
Energy: 1.1151955191068594
Energy: 1.2034882080520304
Energy: 1.0692874795181966
Energy: 1.0678621599380445
Energy: 1.1110709570072301
Energy: 1.1630389500181724
Energy: 1.0309855148734657
Energy: 1.1918277609792574
Energy: 1.1893486379076874
Energy: 1.0320026038381926
Energy: 1.1300070241948914
Energy: 1.2094415730982058
Energy: 1.192032737467318
Energy: 1.0324618115422466
Energy: 1.0530633358530925
Energy: 1.0612299226754307
Energy: 1.030903031585779
Energy: 1.0498039318847303
Energy: 1.0462959950601582
Energy: 1.1431287332289635
Energy: 1.0853181513317707
Energy: 1.1147449347881462
Energy: 1.2030949227532082
Energy: 1.0698566061361023
Energy: 1.0892106304983633
Energy: 1.1266529408985086
Energy: 1.1721032125608963
Energy: 1.0699802563276237
Energy: 1.0478820172904229
Energy: 1.1245639868688093
Energy: 1.0619332012932337
Energy: 1.084162187878247
Energy: 1.1364334885198941

minimum gb energy = 0.9695647417190432 eV
minimum distance =  2.25540699886636 Angstroms
sigma value = 113


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

Energy: 1.693155768111987
Energy: 0.947788382377399
Energy: 1.0130357378394563
Energy: 1.0062525618322498
Energy: 1.0147132536464385
Energy: 0.9994423731248114
Energy: 0.9650823391719593
Energy: 0.9573789479853374
Energy: 0.9821836778300789
Energy: 0.9622866516538086
Energy: 0.9578561445427547
Energy: 0.9487413264039871
Energy: 0.9818699842942253
Energy: 0.9502573218996513
Energy: 0.9774986746265082
Energy: 0.9950652290857194
Energy: 0.9826796330797486
Energy: 0.9578987842209157
Energy: 0.9481525580716312
Energy: 0.9737782738855342
Energy: 0.957329520680309
Energy: 0.9460755755830759
Energy: 0.9701463784892709
Energy: 0.9589457794744405
Energy: 0.9064053963577718
Energy: 0.9233916272778908
Energy: 0.9587626221776752
Energy: 0.948484864605832
Energy: 0.9173007345040894
Energy: 0.968775835406276
Energy: 0.9468027037320987
Energy: 0.9549806084780221
Energy: 0.9391042643686665
Energy: 0.958536756873138
Energy: 0.9505229267307559
Energy: 0.9464363957470356
Energy: 0.9477106394786983
Energy: 0.9446812038270076
Energy: 0.9524834319406951
Energy: 0.9464212411718005
Energy: 0.982592935004391
Energy: 0.9561261506661519
Energy: 0.9410723213156447
Energy: 1.0476722018001963
Energy: 0.9565606194315076
Energy: 0.9110151984728025
Energy: 0.9278000159059739
Energy: 0.9811957496750187
Energy: 0.9394612837010844
Energy: 0.9411493762758699
Energy: 0.9227350860258778
Energy: 0.9509367021028277
Energy: 0.9109088811241179
Energy: 0.9281501425336605
Energy: 0.9815466654696801
Energy: 0.9221664958169001
Energy: 0.946776111495679
Energy: 0.9487627339194243
Energy: 0.9577196196901652
Energy: 0.9484352205165911
Energy: 0.9329567713066499
Energy: 0.9207290845368427
Energy: 0.9375730352549753
Energy: 0.9023203135558481
Energy: 0.9232074817163984
Energy: 0.8991772634012674
Energy: 0.9273828832550476
Energy: 0.9287455360962248
Energy: 0.9006346289592199
Energy: 0.919405001043579
Energy: 0.9264579422144601
Energy: 0.922740052629366
Energy: 0.8895851525510337
Energy: 0.9138550031225936
Energy: 0.9123822699528781
Energy: 0.8992688555618286
Energy: 0.922447288776229
Energy: 0.9344091518911128
Energy: 0.9237485557747145
Energy: 0.8969040247120132
Energy: 0.9395596522949636
Energy: 0.9286709770347291
Energy: 0.9168691256894922
Energy: 0.9402668292767389
Energy: 0.9260856631812675
Energy: 0.9023710174453791
Energy: 0.8888834860386697
Energy: 0.8840324127379131
Energy: 0.9190170497984722
Energy: 0.8902111877333325
Energy: 0.8941862718164096
Energy: 0.910868187062593
Energy: 0.8701397302552957
Energy: 0.881759345580463
Energy: 0.8821991060215076
Energy: 0.8982478291271377
Energy: 0.8793929604891092
Energy: 0.8737776596957961
Energy: 0.8890734377521445
Energy: 0.9114968072010998
Energy: 0.8978847430479698
Energy: 0.8941450639138938
Energy: 0.9091643108818047
Energy: 0.8990577765114259
Energy: 0.9030174298354009
Energy: 0.8805667345803603
Energy: 0.8806826202596744
Energy: 0.875291020066047
Energy: 0.8683512194485933
Energy: 0.8797213578157885
Energy: 0.9076975925299887
Energy: 0.8841104721045262
Energy: 0.8685950505739929
Energy: 0.887556920526432
Energy: 0.8731125597130646
Energy: 0.8694859983600667
Energy: 0.8677151180672432
Energy: 0.8869819752480221
Energy: 0.892308854712546
Energy: 0.896870959314254
Energy: 0.8739530608904604
Energy: 0.9083085825115527
Energy: 0.8799393289951559
Energy: 0.8829720483244674
Energy: 0.9019162687498015
Energy: 0.8861181837439108
Energy: 0.8993198397915543
Energy: 0.8836616223660001
Energy: 0.9044240490118293
Energy: 0.8949957876729099
Energy: 0.882968936631735
Energy: 0.8975340223576842
Energy: 0.8990000739133484
Energy: 0.8648946476835586
Energy: 0.8665241138270312
Energy: 0.8824712656167052
Energy: 0.893653713859464
Energy: 0.8586984888774118
Energy: 0.86442876743865
Energy: 0.888145035278493
Energy: 0.8900455201235989
Energy: 0.890276193695894
Energy: 0.8677229331602152
Energy: 0.9090282752150138
Energy: 0.8861386386364858
Energy: 0.8675696034556414
Energy: 0.9113650363596942
Energy: 0.8929199358969062
Energy: 0.8685174338268961
Energy: 0.8885592223176971
Energy: 0.9097202178662033
Energy: 0.8671299666327726
Energy: 0.8882016048976132
Energy: 0.9134160197292105
Energy: 0.8710237654166806
Energy: 0.8780194641794823
Energy: 0.8583497490487036
Energy: 0.8965144310149905
Energy: 0.8839715787315373
Energy: 0.8600029684528508
Energy: 0.855250345506709
Energy: 0.8939628493560026
Energy: 0.8900576751619247
Energy: 0.8977131916639384
Energy: 0.8833775066763256
Energy: 0.9011797249362551
Energy: 0.8848439894458768
Energy: 0.8910118271112679
Energy: 0.8951105966540229
Energy: 0.9191701037882489
Energy: 0.8782533704581895
Energy: 0.8789585590359522
Energy: 0.9023719173635926
Energy: 0.8849838415352778
Energy: 0.8825123302540635
Energy: 0.888170409752986
Energy: 0.885654962571127
Energy: 0.8626797870995188
Energy: 0.8485801163815003
Energy: 0.8706303442295558
Energy: 0.8886231770849136
Energy: 0.8696722097915464
Energy: 0.8882271843759867
Energy: 0.8949016872080171
Energy: 0.8755938210541793
Energy: 0.8487848532785842
Energy: 0.9088642083545965
Energy: 0.8550985515974002
Energy: 0.8803217382935647
Energy: 0.9137624558796705
Energy: 0.8931868221744148
Energy: 0.9105265141506727
Energy: 0.8936388702643133
Energy: 0.8993066561154804
Energy: 0.9086226483075033
Energy: 0.8862320913243598
Energy: 0.8725506686113639
Energy: 0.8887486375229343
Energy: 0.8868563609819557
Energy: 0.8783719357354481
Energy: 0.8880917367772534
Energy: 0.8948660851893067
Energy: 0.913162033290042
Energy: 0.8900038464681567
Energy: 0.8846628648004963
Energy: 0.8860822895070715
Energy: 0.8804026536046211
Energy: 0.888169027105835
Energy: 0.8980994669098126
Energy: 0.9135874887610826
Energy: 0.906121061983931
Energy: 0.899552163335511
Energy: 0.9273180377016219
Energy: 0.935143612957294
Energy: 0.8992612950496743
Energy: 0.9299257797029048
Energy: 0.9405626976801905
Energy: 0.9115997842218608
Energy: 0.8916642479332091
Energy: 0.926755882708022
Energy: 0.9328252313141965
Energy: 0.8896788563920831
Energy: 0.9270052162728104
Energy: 0.9264531599036735
Energy: 0.9290544141378485
Energy: 0.9097934695644985
Energy: 0.9313993522788369
Energy: 0.9281334961331504
Energy: 0.8918319682749857
Energy: 0.930157214076051
Energy: 0.931587483214109
Energy: 0.9364875753482129
Energy: 0.9524685568326767
Energy: 0.9468568550059402
Energy: 0.948760522783583
Energy: 0.9440272543787995
Energy: 0.9481377495325002
Energy: 0.9452526146452922
Energy: 0.918111409682613
Energy: 0.9753561400876911
Energy: 0.9267872389697498
Energy: 0.9039736843182744
Energy: 0.9438574732162183
Energy: 0.9393511539097588
Energy: 0.9359762239645032
Energy: 0.9358035599505068
Energy: 0.974358577442367
Energy: 0.926587013049345
Energy: 0.9081645584696691
Energy: 0.9823404662448981
Energy: 0.9325091660308023
Energy: 0.9343265934879161
Energy: 0.9773886002173181
Energy: 0.9809907268523103
Energy: 0.9459298930296068
Energy: 0.9686325527760962
Energy: 0.9424321338430598
Energy: 0.9467469413063325
Energy: 0.9467537124005223
Energy: 0.9594175899586244
Energy: 0.9602038812658873
Energy: 0.9556707454927901
Energy: 0.9552587878501069
Energy: 0.9654796506094468
Energy: 0.9703823473435995
Energy: 0.9303833608170925
Energy: 0.9575290202759902
Energy: 1.0654585223803443
Energy: 0.9341386316361523
Energy: 0.9283479831981435
Energy: 0.9655977800040111
Energy: 0.9274429394746695
Energy: 0.9126821431534319
Energy: 0.9588099720837956
Energy: 0.9900085779358312
Energy: 0.944298434790598
Energy: 0.9578181165610425
Energy: 0.9870791184896996
Energy: 0.9977731261977084
Energy: 0.9501872678501546
Energy: 0.9790185626724592
Energy: 0.9770438642399306
Energy: 0.9524935416178365
Energy: 0.9571055244010992
Energy: 0.9828770966515789
Energy: 0.9828695642591998
Energy: 0.9497103640261119
Energy: 0.9207714428520526
Energy: 0.9687163920476806
Energy: 0.9905046701804223
Energy: 0.9351785954691013
Energy: 0.923260101211603
Energy: 0.9990367858640278
Energy: 0.9908806345823101
Energy: 0.9720175021984355
Energy: 0.991772349310836
Energy: 0.9821874135184603
Energy: 0.9574582015500723
Energy: 0.9827980049959161
Energy: 0.975528783950664
Energy: 0.9574081681660307
Energy: 0.9593803224102331
Energy: 0.9787770361726832
Energy: 0.9888432512799373
Energy: 0.957538100928539
Energy: 0.9869773889907915
Energy: 0.9936872433966027
Energy: 0.9711373160845422
Energy: 1.0027301647734692
Energy: 0.950497928753835
Energy: 0.9340950228506899
Energy: 1.0075566989342855
Energy: 0.9547309063900856
Energy: 0.9280264165809984
Energy: 0.9349598758986102

minimum gb energy = 0.8485801163815003 eV
minimum distance =  2.28472363758328 Angstroms
sigma value = 365


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

Energy: 1.1461992919821742
Energy: 1.0762162197334133
Energy: 1.0419334240419362
Energy: 1.0432476546642007
Energy: 1.0453564879943686
Energy: 1.0423844073173405
Energy: 1.0420889299858993
Energy: 0.36203963541650686
Energy: 0.36578445252295017
Energy: 0.368146417156227
Energy: 0.3684883339109795
Energy: 0.36874510784911896
Energy: 0.36857802924621264
Energy: 0.36779480643976087
Energy: 0.36188404811131536
Energy: 0.3667268549544226
Energy: 0.3678546924673097
Energy: 0.36833826666319036
Energy: 0.36821155686099694
Energy: 0.36818482870965924
Energy: 0.3674424569015453
Energy: 1.0722373662046185
Energy: 1.0729422720618713
Energy: 1.040998675798072
Energy: 1.0423712809168748
Energy: 1.0430630538530126
Energy: 1.0413583068178172
Energy: 1.0414451181830224
Energy: 1.0762948666133485
Energy: 1.0767019708743721
Energy: 1.078121477848728
Energy: 1.0784366279185227
Energy: 1.0429284551346052
Energy: 1.0777916929050078
Energy: 1.0765028944416666
Energy: 0.3618970065063022
Energy: 0.3663142762225159
Energy: 0.3678862896885097
Energy: 0.3683383201416628
Energy: 0.3684312991200231
Energy: 0.36794933799426227
Energy: 0.3668725344316258
Energy: 1.0733882930211818
Energy: 1.075856976554056
Energy: 1.04114098213838
Energy: 1.0427015159952824
Energy: 1.0429008749674487
Energy: 1.0415396047852987
Energy: 1.0766427418192748
Energy: 1.0742384017210984
Energy: 1.073875295376861
Energy: 1.0412106433564094
Energy: 1.0423028493458315
Energy: 1.0430433474817387
Energy: 1.0413825698983306
Energy: 1.075710806603763
Energy: 0.3621155103687594
Energy: 0.36625450071616067
Energy: 0.36750786284816905
Energy: 0.3683423171956291
Energy: 0.36816482893775504
Energy: 0.36827071167982234
Energy: 0.36724701081905226
Energy: 1.0760880047349957
Energy: 1.076138390005699
Energy: 1.0777985069896776
Energy: 1.0784667283119216
Energy: 1.0783015688887085
Energy: 1.0785301440732578
Energy: 1.0775638843773483
Energy: 1.0730069179954675
Energy: 1.072631244680592
Energy: 1.0411994191930833
Energy: 1.0423244752431058
Energy: 1.0431626755171965
Energy: 1.041395538748938
Energy: 1.0412927085866845
Energy: 0.36209825287996433
Energy: 0.3669311199844247
Energy: 0.36774495645117933
Energy: 0.3685934830701129
Energy: 0.3683162868234239
Energy: 0.36859987023462604
Energy: 0.3675029728868569
Energy: 0.3621536969123589
Energy: 0.36638712665786627
Energy: 0.36824247955128514
Energy: 0.36841788297378225
Energy: 0.3686057584890573
Energy: 0.3683916620103165
Energy: 0.3676192807819217
Energy: 1.0763521558390257
Energy: 1.075992052662373
Energy: 1.0412437102397114
Energy: 1.0423605206163629
Energy: 1.043336218144933
Energy: 1.041636069707624
Energy: 1.041695853633558
Energy: 1.0765358856441731
Energy: 1.077259502042125
Energy: 1.078596743834027
Energy: 0.3686110824188277
Energy: 0.3705024421600482
Energy: 0.36867211183605864
Energy: 1.0776223198050474
Energy: 0.36200573191896984
Energy: 0.3663832697301109
Energy: 0.36789751894542727
Energy: 0.36860722196635337
Energy: 0.3684596732132437
Energy: 0.36809647649203064
Energy: 0.367266336524888
Energy: 1.0731255564319482
Energy: 1.0727831109726924
Energy: 1.0410759403550691
Energy: 1.0422475622589884
Energy: 1.043028449891841
Energy: 1.0413495681704983
Energy: 1.0415237451348847
Energy: 1.075800414370872
Energy: 1.0764023449832598
Energy: 1.0779570434401315
Energy: 1.0425523113432555
Energy: 1.04298294860565
Energy: 1.0776739312549606
Energy: 1.0766117678678213
Energy: 0.36191514891055593
Energy: 0.3664520729764494
Energy: 0.3678951240085895
Energy: 0.3685043865269172
Energy: 0.36825906800949804
Energy: 0.3679801599275256
Energy: 0.366851882727407
Energy: 1.0741083243125682
Energy: 1.0755405147903818
Energy: 1.0770226877013924
Energy: 1.04259932492275
Energy: 1.0428514062032694
Energy: 1.041639928277472
Energy: 1.0770025892212676

minimum gb energy = 0.36188404811131536 eV
minimum distance =  2.36066836690795 Angstroms
sigma value = 23