Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 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=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: 0.02046824790415199
Energy: 0.4984304726347282
Energy: 1.2286394344198193
Energy: 0.49847900251300636
Energy: 0.02046824790415199
Energy: 0.4984304726344691
Energy: 0.5286383140175411
Energy: 0.5280910091652327
Energy: 0.021218039199791337
Energy: 0.25272862709258903
Energy: 0.021296220043478652
Energy: 0.5280910091652327
Energy: 0.021218039199791337
Energy: 0.25272862709258903
Energy: 0.02046824790415199
Energy: 0.4984304726347282
Energy: 1.2519589560212856
Energy: 0.49847900251323657
Energy: 0.02046824790415199
Energy: 0.4984304726344691
Energy: 0.5286383140175411
Energy: 0.5280910091652327
Energy: 0.021218039199791337
Energy: 0.25272862709512245
Energy: 0.021296220043478652
Energy: 0.5280910091652327
Energy: 0.021218039199791337
Energy: 0.25272862709258903
Energy: 0.02046824790415199
Energy: 0.4984304726344691
Energy: 1.3983606119038927
Energy: 0.49847900251323657
Energy: 0.02046824790415199
Energy: 0.4984304726347282
Energy: 0.5286383140175411
Energy: 0.5280910091652327
Energy: 0.021218039199791337
Energy: 0.25272862709512245
Energy: 0.021296220043478652
Energy: 0.5280910091652327
Energy: 0.021218039199791337
Energy: 0.25272862709258903

minimum gb energy = 0.02046824790415199 eV
minimum distance =  2.51859831248667 Angstroms
sigma value = 5


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

Energy: 1.2187226681300496
Energy: 1.192425185149726
Energy: 1.1537790945126938
Energy: 1.191542660686575
Energy: 1.2187226681362398
Energy: 1.192425185149726
Energy: 1.1157598258471322
Energy: 1.1645633996777862
Energy: 1.1432582866834164
Energy: 1.154900194799885
Energy: 1.1363105967622216
Energy: 1.1645633996777862
Energy: 1.143258286677226
Energy: 1.15490019480298
Energy: 1.1110953163401367
Energy: 1.1505466859480151
Energy: 1.1005319834989677
Energy: 1.1689183987366674
Energy: 1.111095316343232
Energy: 1.1505466859480151
Energy: 1.1020211698647817
Energy: 1.2121852208326025
Energy: 1.146789155349596
Energy: 1.1864291743113369
Energy: 1.180073789419913
Energy: 1.2121852208295072
Energy: 1.146789155352691
Energy: 1.1864291743113369
Energy: 1.154811968485351
Energy: 1.1169948330616195
Energy: 1.13249987275824
Energy: 1.1287000541985384
Energy: 1.1548119684915412
Energy: 1.1169948330647144
Energy: 1.1324998727551452
Energy: 1.1712522617121044
Energy: 1.1542774286585462
Energy: 1.1854261884328483
Energy: 1.123422110360653
Energy: 1.1712522617121044
Energy: 1.1542774286585462
Energy: 1.1854261884359436
Energy: 1.1380611846923616
Energy: 1.1503358571473814
Energy: 1.1664389842524179
Energy: 1.1555151767179046
Energy: 1.1380611846923616
Energy: 1.1503358571473814
Energy: 1.1664389842524179
Energy: 1.1436683917349686
Energy: 1.1284665107626344
Energy: 1.1137110113023807
Energy: 1.1415012096501602
Energy: 1.1436683917349686
Energy: 1.1284665107626344
Energy: 1.1137110113085706
Energy: 1.1397274601216663
Energy: 1.153634271607682
Energy: 1.1758854859415369
Energy: 1.1441223707279802
Energy: 1.1397274601216663
Energy: 1.153634271607682
Energy: 1.175885485950822
Energy: 1.162015370926871
Energy: 1.15742617232675
Energy: 1.1300184564874476
Energy: 1.1654070918685469
Energy: 1.162015370923776
Energy: 1.1574261723298451
Energy: 1.1300184564782187
Energy: 1.1530688085358818
Energy: 1.1571820232318215
Energy: 1.1616686827488674
Energy: 1.1796900968718882
Energy: 1.1530688085389769
Energy: 1.1571820232287262
Energy: 1.1616686827488674
Energy: 1.1969124331263186
Energy: 1.1784226598641003
Energy: 1.120955502264674
Energy: 1.117901409787426
Energy: 1.1969124331294134
Energy: 1.1784226598641003
Energy: 1.120955502264674
Energy: 1.1970946491523613
Energy: 1.1919802914050106
Energy: 1.1339333983852224
Energy: 1.1682015689009027
Energy: 1.1970946491523613
Energy: 1.1919802913988207
Energy: 1.1339333983883175
Energy: 1.1257423753255829
Energy: 1.156205516799844
Energy: 1.157134526769835
Energy: 1.193353846860323
Energy: 1.1257423753379632
Energy: 1.156205516799844
Energy: 1.15713452676674
Energy: 1.1594510473717496
Energy: 1.1679036723409348
Energy: 1.1682301011675502
Energy: 1.1678151572611144
Energy: 1.1594510473717496
Energy: 1.1679036723440297
Energy: 1.1682301011675502
Energy: 1.179096482919535
Energy: 1.15278587868932
Energy: 1.117005582604475
Energy: 1.1783702972879935
Energy: 1.1790964829288202
Energy: 1.152785878692415
Energy: 1.1170055826013798
Energy: 1.141714235074458
Energy: 1.160814293759574
Energy: 1.1253395861836863
Energy: 1.1404838052857873
Energy: 1.1417142350713632
Energy: 1.1608142937533839
Energy: 1.1253395861898767
Energy: 1.146002246073754
Energy: 1.1617690389134727
Energy: 1.1298893621043402
Energy: 1.1646999546589292
Energy: 1.146002246079944
Energy: 1.1617690389134727
Energy: 1.1298893620981503
Energy: 1.1704858320118285
Energy: 1.1444439003888438
Energy: 1.1925726796213105
Energy: 1.1518139065084545
Energy: 1.1704858320087332
Energy: 1.1444439003918827
Energy: 1.1925726796244056
Energy: 1.1615398684526397
Energy: 1.1162941337622692
Energy: 1.1761683508312495
Energy: 1.1273162867973403
Energy: 1.1615398684557348
Energy: 1.1162941337684593
Energy: 1.1761683508250593
Energy: 1.1471473168353679
Energy: 1.1590733720987543
Energy: 1.088275716987509
Energy: 1.1855549008907558
Energy: 1.1471473168353679
Energy: 1.1590733720987543
Energy: 1.088275716987509
Energy: 1.1424414824855125
Energy: 1.1485832086374275
Energy: 1.17797594285298
Energy: 1.1503014399337828
Energy: 1.1424414824886076
Energy: 1.1485832086374275
Energy: 1.1779759428498846
Energy: 1.1438495643060562
Energy: 1.1291189328449458
Energy: 1.1856848217468106
Energy: 1.1428474922690464
Energy: 1.143849564299866
Energy: 1.1291189328356608
Energy: 1.1856848217499056
Energy: 1.1657046593961449
Energy: 1.1129757222902172
Energy: 1.15403906535151
Energy: 1.1421752652857982
Energy: 1.16570465939924
Energy: 1.1129757222933123
Energy: 1.154039065348415
Energy: 1.1372251756281786
Energy: 1.1592156197397274
Energy: 1.1387999915047717
Energy: 1.1565429191783694
Energy: 1.1372251756250835
Energy: 1.1592156197459176
Energy: 1.138799991510962
Energy: 1.1698180981931467
Energy: 1.1325409132456687
Energy: 1.155907820248071
Energy: 1.1372273367812171
Energy: 1.1698180981962418
Energy: 1.132540913251859
Energy: 1.155907820248071
Energy: 1.2152924542279244
Energy: 1.1301151964011242
Energy: 1.1580105267101723
Energy: 1.150941272773814
Energy: 1.2152924542186392
Energy: 1.1301151964042193
Energy: 1.1580105267070773
Energy: 1.2127832038264177
Energy: 1.2136974812674648
Energy: 1.207218424381757
Energy: 1.1413474109459496
Energy: 1.2127832038202842
Energy: 1.2136974812674648
Energy: 1.2072184243724717
Energy: 1.1542740466056418
Energy: 1.1802848403602912
Energy: 1.1551957927910605
Energy: 1.1143329477625912
Energy: 1.1542740466056418
Energy: 1.1802848403602912
Energy: 1.1551957927879655
Energy: 1.1495718656528426
Energy: 1.1417795825237458
Energy: 1.2554369434618469
Energy: 1.1123156204471885
Energy: 1.1495718656590328
Energy: 1.1417795825237458
Energy: 1.2554369434587518
Energy: 1.1630795543511623
Energy: 1.1777180803053229
Energy: 1.2018614105439258
Energy: 1.1611365704056333
Energy: 1.1630795543480672
Energy: 1.177718080308418
Energy: 1.2018614105439258
Energy: 1.1396681619679305
Energy: 1.1256523883194713
Energy: 1.1278032140468444
Energy: 1.109363181962991
Energy: 1.1396681619710258
Energy: 1.1256523883194713
Energy: 1.1278032140406542
Energy: 1.150249771108909
Energy: 1.1449930375722017
Energy: 1.2156220164987752
Energy: 1.1292071080661235
Energy: 1.150249771108909
Energy: 1.1449930375722017
Energy: 1.2156220165049654
Energy: 1.1528465974850528
Energy: 1.1283219547876422
Energy: 1.1688626590104718
Energy: 1.1414596719223211
Energy: 1.1528465974881479
Energy: 1.128321954784547
Energy: 1.1688626590073767
Energy: 1.138391355413421
Energy: 1.1289049414010757
Energy: 1.131322489914458
Energy: 1.1403097564672835
Energy: 1.138391355413421
Energy: 1.1289049413979808
Energy: 1.1313224899113632
Energy: 1.1621041564290189
Energy: 1.1576179586986965
Energy: 1.1686232685477367
Energy: 1.1710816608615315
Energy: 1.1621041564290189
Energy: 1.1576179586986965
Energy: 1.1686232685508318
Energy: 1.128452689249539
Energy: 1.1515957833504304
Energy: 1.2737395291834936
Energy: 1.1443355930203272
Energy: 1.128452689249539
Energy: 1.1515957833504304
Energy: 1.273739529177304
Energy: 1.149971226203408
Energy: 1.1647481922642513
Energy: 1.1375059315308473
Energy: 1.1614032480919172
Energy: 1.1499712262095985
Energy: 1.1647481922642513
Energy: 1.1375059315277525
Energy: 1.142385402229494
Energy: 1.1690494191538088
Energy: 1.132100903218424
Energy: 1.1747710222559962
Energy: 1.142385402226399
Energy: 1.1690494191569039
Energy: 1.132100903218424
Energy: 1.1763328343657518
Energy: 1.1040344464868548
Energy: 1.1360128736427066
Energy: 1.1854930996363353
Energy: 1.1763328343657518
Energy: 1.1040344464899499
Energy: 1.1360128736365165
Energy: 1.1323602383937712
Energy: 1.1741789290492584
Energy: 1.2061791556572734
Energy: 1.1639212787194944
Energy: 1.1323602383875808
Energy: 1.1741789290461635
Energy: 1.2061791556665586
Energy: 1.2183935258988328
Energy: 1.191323791572044
Energy: 1.1577187430437015
Energy: 1.1511586060827954
Energy: 1.2183935259019278
Energy: 1.191323791568949
Energy: 1.1577187430437015
Energy: 1.1975700581908244
Energy: 1.1740686328954053
Energy: 1.2170075277012486
Energy: 1.1933308088322938
Energy: 1.1975700581908244
Energy: 1.1740686328923102
Energy: 1.2170075277074388
Energy: 1.1507386544652145
Energy: 1.1571317226635376
Energy: 1.1209461077720275
Energy: 1.1777980300656956
Energy: 1.1507386544714044
Energy: 1.1571317226697277
Energy: 1.1209461077689324
Energy: 1.1325349814879815
Energy: 1.1606981263065081
Energy: 1.2824655814763894
Energy: 1.1816217619611173
Energy: 1.1325349814848864
Energy: 1.1606981263003178
Energy: 1.2824655814732946
Energy: 1.1621716253562644
Energy: 1.1612690817632616
Energy: 1.1115492684100927
Energy: 1.1486418711588697
Energy: 1.1621716253562644
Energy: 1.1612690817632616
Energy: 1.1115492684131876
Energy: 1.139586759216341
Energy: 1.1556749184284683
Energy: 1.1782955011659613
Energy: 1.14679704348088
Energy: 1.139586759219436
Energy: 1.155674918422278
Energy: 1.1782955011690563

minimum gb energy = 1.088275716987509 eV
minimum distance =  2.2802926182726 Angstroms
sigma value = 401


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

Energy: 1.2406730237403762
Energy: 1.247608252790142
Energy: 1.1266664710705119
Energy: 1.1706069720709187
Energy: 1.2406730237403762
Energy: 1.247608252790142
Energy: 1.1266664710669987
Energy: 1.1474082049056722
Energy: 1.174742183268943
Energy: 1.1939142829764662
Energy: 1.2054780913387502
Energy: 1.1474082049021588
Energy: 1.174742183268943
Energy: 1.1416900619204178
Energy: 1.132199468403221
Energy: 1.1876852972474465
Energy: 1.201448490566338
Energy: 1.2565052259657583
Energy: 1.1321994684067345
Energy: 1.1876852972474465
Energy: 1.189280250291471
Energy: 1.132977651709337
Energy: 1.1997997923602575
Energy: 1.222312069091816
Energy: 1.1207944176293148
Energy: 1.132977651709337
Energy: 1.1997997923602575
Energy: 1.2096775652533167
Energy: 1.137680458985152
Energy: 1.2127959365106291
Energy: 1.2016185618498172
Energy: 1.1233546816239746
Energy: 1.137680458985152
Energy: 1.212795936507116
Energy: 1.1483895650374578
Energy: 1.1138886869891977
Energy: 1.1732693003153045
Energy: 1.2000618696639247
Energy: 1.2132996207178381
Energy: 1.1138886869962243
Energy: 1.173269300311791
Energy: 1.2000618696674379
Energy: 1.2040697327012435
Energy: 1.1330141146395762
Energy: 1.1991329301288902
Energy: 1.1335104204892925
Energy: 1.2040697327012435
Energy: 1.1330141146360628
Energy: 1.1991329301288902
Energy: 1.17700310122362
Energy: 1.177276579034413
Energy: 1.2002113354428867
Energy: 1.1336326232053293
Energy: 1.1770031012271334
Energy: 1.177276579034413
Energy: 1.2002113354464
Energy: 1.1133453495696923
Energy: 1.147002500437312
Energy: 1.2064827900692257
Energy: 1.2253994754983901
Energy: 1.1133453495661791
Energy: 1.147002500437312
Energy: 1.204645002984392
Energy: 1.1330508899853553
Energy: 1.21034377227058
Energy: 1.2111649488860246
Energy: 1.2139326719974604
Energy: 1.133050889981842
Energy: 1.21034377227058
Energy: 1.2101065898081527
Energy: 1.1335102911585373
Energy: 1.218393661097691
Energy: 1.2235690981781466
Energy: 1.2111087848960407
Energy: 1.1335102911585373
Energy: 1.218393661097691
Energy: 1.226818115502282
Energy: 1.144245787401535
Energy: 1.1942330743580651
Energy: 1.20562351126964
Energy: 1.2091838082087174
Energy: 1.144245787401535
Energy: 1.1942330743580651
Energy: 1.203230279012545
Energy: 1.217592832265904
Energy: 1.1662890706930213
Energy: 1.219764632072133
Energy: 1.2200331608412374
Energy: 1.217592832262391
Energy: 1.1662890706930213
Energy: 1.241530367661763
Energy: 1.2417316814886399
Energy: 1.247608252790142
Energy: 1.1524682791090106
Energy: 1.1706069720709187
Energy: 1.2417316814886399
Energy: 1.247608252790142
Energy: 1.164189720053248
Energy: 1.1474082049056722
Energy: 1.174742183268943
Energy: 1.1574253950670181
Energy: 1.1939627070684151
Energy: 1.1474082049021588
Energy: 1.174742183268943
Energy: 1.1416900619204178
Energy: 1.132199468403221
Energy: 1.1876852972474465
Energy: 1.164170140193885
Energy: 1.2565052259622453
Energy: 1.132199468403221
Energy: 1.1876852972474465
Energy: 1.189280250291471
Energy: 1.1329776517128503
Energy: 1.217515008185501
Energy: 1.2096775652533167
Energy: 1.1207944176293148
Energy: 1.132977651709337
Energy: 1.2175150081784745
Energy: 1.2096775652533167
Energy: 1.137680458985152
Energy: 1.1864936730108069
Energy: 1.1688612777790135
Energy: 1.1233546816239746
Energy: 1.137680458985152
Energy: 1.18649367301432
Energy: 1.1483895650374578
Energy: 1.1140694775103956
Energy: 1.1732693003153045
Energy: 1.2000618696604113
Energy: 1.2132996207213516
Energy: 1.1140694775033693
Energy: 1.173269300311791
Energy: 1.2000618696639247
Energy: 1.1814886804723894
Energy: 1.1330141146360628
Energy: 1.1991329301288902
Energy: 1.1335104204892925
Energy: 1.1814886804688762
Energy: 1.1330141146360628
Energy: 1.1991329301288902
Energy: 1.1764384093117233
Energy: 1.177276579034413
Energy: 1.2002113354464
Energy: 1.1335563689763113
Energy: 1.1764384093082103
Energy: 1.177276579034413
Energy: 1.2002113354464
Energy: 1.1133453495696923
Energy: 1.1470025004408249
Energy: 1.192474034982669
Energy: 1.2253994754983901
Energy: 1.1133453495661791
Energy: 1.1470025004408249
Energy: 1.204645002980879
Energy: 1.1330508899853553
Energy: 1.2103437722740935
Energy: 1.2101165583990516
Energy: 1.2139326719974604
Energy: 1.133050889981842
Energy: 1.2103437722740935
Energy: 1.2209566247980943
Energy: 1.1335102911585373
Energy: 1.1921618071664186
Energy: 1.2235690981781466
Energy: 1.2111087848995539
Energy: 1.1335102911585373
Energy: 1.1921618071664186
Energy: 1.2235690981781466
Energy: 1.1444953672257325
Energy: 1.1942330743510388
Energy: 1.20562351126964
Energy: 1.2091838082052042
Energy: 1.1444953672222193
Energy: 1.194233074354552
Energy: 1.20562351126964
Energy: 1.1914389583200924
Energy: 1.1662890706965345
Energy: 1.2178335026216387
Energy: 1.2200331608412374
Energy: 1.1914389583236056
Energy: 1.1662890706930213
Energy: 1.2311798671297054
Energy: 1.2406730237438894
Energy: 1.2476082527936552
Energy: 1.1279763043483855
Energy: 1.1706069720709187
Energy: 1.2406730237438894
Energy: 1.247608252790142
Energy: 1.164189720053248
Energy: 1.1474082049056722
Energy: 1.174742183268943
Energy: 1.1237018690282934
Energy: 1.2054780913387502
Energy: 1.1474082049021588
Energy: 1.174742183268943
Energy: 1.1237018690282934
Energy: 1.132199468403221
Energy: 1.1876852972474465
Energy: 1.1892802502949842
Energy: 1.2565052259622453
Energy: 1.132199468403221
Energy: 1.1876852972439331
Energy: 1.189280250291471
Energy: 1.1329776517128503
Energy: 1.1997997923602575
Energy: 1.148460478955129
Energy: 1.1207944176293148
Energy: 1.132977651709337
Energy: 1.1997997923637709
Energy: 1.148460478958642
Energy: 1.137680458985152
Energy: 1.2127959365106291
Energy: 1.1483895650444844
Energy: 1.1233546816204614
Energy: 1.137680458985152
Energy: 1.212795936507116
Energy: 1.148389565040971
Energy: 1.1138886869891977
Energy: 1.1732693003153045
Energy: 1.2000618696604113
Energy: 1.2132996207213516
Energy: 1.113888686992711
Energy: 1.173269300311791
Energy: 1.2000618696639247
Energy: 1.2040697327012435
Energy: 1.1330141146360628
Energy: 1.19913293013234
Energy: 1.1335104204857793
Energy: 1.2040697327012435
Energy: 1.1330141146360628
Energy: 1.19913293013234
Energy: 1.1770031012271334
Energy: 1.177276579034413
Energy: 1.2002113354464
Energy: 1.1336326232053293
Energy: 1.1770031012271334
Energy: 1.177276579034413
Energy: 1.2002113354464
Energy: 1.1133453495661791
Energy: 1.1470025004408249
Energy: 1.2090693964968589
Energy: 1.2253994754983901
Energy: 1.1133453495661791
Energy: 1.147002500437312
Energy: 1.2064827900727386
Energy: 1.1330508899853553
Energy: 1.2103437722740935
Energy: 1.175526240103903
Energy: 1.2139326719974604
Energy: 1.1330508899853553
Energy: 1.2103437722740935
Energy: 1.2111649488860246
Energy: 1.1335102911585373
Energy: 1.218393661097691
Energy: 1.197794550866022
Energy: 1.2111087848960407
Energy: 1.1335102911585373
Energy: 1.218393661097691
Energy: 1.2235690981781466
Energy: 1.144245787401535
Energy: 1.194233074354552
Energy: 1.196480192000725
Energy: 1.2091838082052042
Energy: 1.144245787401535
Energy: 1.194233074354552
Energy: 1.20562351126964
Energy: 1.217592832265904
Energy: 1.1662890706965345
Energy: 1.1966090752566554
Energy: 1.2200331608412374
Energy: 1.217592832262391
Energy: 1.1662890706965345
Energy: 1.2311798671297054
Energy: 1.2417316814886399
Energy: 1.247608252790142
Energy: 1.1279763043483855
Energy: 1.1706069720709187
Energy: 1.2417316814886399
Energy: 1.247608252790142
Energy: 1.1641897200566975
Energy: 1.1474082049056722
Energy: 1.174742183268943
Energy: 1.12370186902478
Energy: 1.1939627070719285
Energy: 1.1474082049021588
Energy: 1.174742183268943
Energy: 1.1237018690282934

minimum gb energy = 1.1133453495661791 eV
minimum distance =  2.31550406895037 Angstroms
sigma value = 311


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

Energy: 1.1821532922031106
Energy: 1.1656209244401048
Energy: 1.1931451182625479
Energy: 1.1649328945995656
Energy: 1.1821532922031106
Energy: 1.1656209244421332
Energy: 1.15987001990289
Energy: 1.248193295308282
Energy: 1.1312809781504471
Energy: 1.1959343281113846
Energy: 1.1761085501156332
Energy: 1.2481932953090933
Energy: 1.131280978151664
Energy: 1.195934328110979
Energy: 1.1247988596815635
Energy: 1.2013956322745596
Energy: 1.2743282142669765
Energy: 1.2044283768941721
Energy: 1.1247988596754783
Energy: 1.2013956322745596
Energy: 1.1827938272511476
Energy: 1.13079928030482
Energy: 1.1641631103187648
Energy: 1.208848477605449
Energy: 1.1392416454305287
Energy: 1.1307992803040086
Energy: 1.1641631103167367
Energy: 1.2088484776070716
Energy: 1.2141051784267611
Energy: 1.181353431508209
Energy: 1.186652783914116
Energy: 1.1872464858681924
Energy: 1.2141051784255439
Energy: 1.181353431508209
Energy: 1.19018694448739
Energy: 1.1435019251121215
Energy: 1.1702599136059189
Energy: 1.1805661187177796
Energy: 1.139203252452506
Energy: 1.1435019251113099
Energy: 1.1702599136051075
Energy: 1.1805661187161567
Energy: 1.2134621599867028
Energy: 1.1905254504216571
Energy: 1.193990835119535
Energy: 1.164886509045219
Energy: 1.2134621599854858
Energy: 1.1905254504204401
Energy: 1.1163500228651329
Energy: 1.1711351790971467
Energy: 1.2047972665392968
Energy: 1.1940660242668248
Energy: 1.1917331399112077
Energy: 1.1711351790991753
Energy: 1.204797266540108
Energy: 1.1940660242684475
Energy: 1.213337413233879
Energy: 1.1761800760205454
Energy: 1.1977502817350199
Energy: 1.1729437421976021
Energy: 1.213337413233879
Energy: 1.1761800760217624
Energy: 1.1665283685060408
Energy: 1.213178029929522
Energy: 1.109897028010161
Energy: 1.2563177761331235
Energy: 1.1894151212690058
Energy: 1.2131780299311448
Energy: 1.1098970280081326
Energy: 1.2563177761331235
Energy: 1.153259817613051
Energy: 1.1841327204852177
Energy: 1.248529699853568
Energy: 1.1360402988516558
Energy: 1.1532598176154851
Energy: 1.1841327204844063
Energy: 1.2485296998531623
Energy: 1.231604262575806
Energy: 1.1692757081659197
Energy: 1.1984629457155382
Energy: 1.2031964476797121
Energy: 1.2316042625770227
Energy: 1.1692757081634857
Energy: 1.1984629457155382
Energy: 1.2248448830165561
Energy: 1.1554880313055391
Energy: 1.2481358492136843
Energy: 1.1618123196853305
Energy: 1.2248448830169623
Energy: 1.155488031305945
Energy: 1.24813584921409
Energy: 1.187338948022404
Energy: 1.1890382406480826
Energy: 1.1511426989189377
Energy: 1.2048543502166846
Energy: 1.1873389480232153
Energy: 1.1890382406484883
Energy: 1.1511426989189377
Energy: 1.222407034365652
Energy: 1.1617884431643402
Energy: 1.2480087932783213
Energy: 1.1552585094747638
Energy: 1.2224070343676803
Energy: 1.1617884431651515
Energy: 1.248008793279944
Energy: 1.231591962501557
Energy: 1.2032174402416622
Energy: 1.1986819171947471
Energy: 1.1698131685574211
Energy: 1.2315919625011513
Energy: 1.203217440242068
Energy: 1.1986819171951528
Energy: 1.1534068940960513
Energy: 1.1609795138160655
Energy: 1.2485243369322654
Energy: 1.1845144728515586
Energy: 1.1534068940404743
Energy: 1.160979513815254
Energy: 1.2485243369346994
Energy: 1.2229131560432682
Energy: 1.189769765074166
Energy: 1.286236628643564
Energy: 1.1094087485732274
Energy: 1.2229131560424569
Energy: 1.189769765075383
Energy: 1.2862366286431584
Energy: 1.2135727316514984
Energy: 1.1730277797967343
Energy: 1.165980277416588
Energy: 1.1764606335433831
Energy: 1.2135727316519038
Energy: 1.1730277797979514
Energy: 1.165980277414965
Energy: 1.1713139180246548
Energy: 1.1917532532144193
Energy: 1.1952452289496078
Energy: 1.2051364001715887
Energy: 1.171313918025466
Energy: 1.1917532532152306
Energy: 1.1952452289500135
Energy: 1.2135502415012371
Energy: 1.165049790528467
Energy: 1.2119009113365489
Energy: 1.1904596902983695
Energy: 1.2135502415016428
Energy: 1.1650497905288724
Energy: 1.2119009113353318
Energy: 1.1435454942128407
Energy: 1.1572738291154174
Energy: 1.1805676190006407
Energy: 1.1469661630331986
Energy: 1.1435454942120293
Energy: 1.1572738291150118
Energy: 1.1805676189994236
Energy: 1.2151300084365593
Energy: 1.1875498484341545
Energy: 1.1317150802997338
Energy: 1.1807102718677218
Energy: 1.2151300084365593
Energy: 1.1875498484329376
Energy: 1.1317150802997338
Energy: 1.148349167782926
Energy: 1.1397382724668403
Energy: 1.208724348852607
Energy: 1.1641769453888633
Energy: 1.1483491677845485
Energy: 1.1397382724680576
Energy: 1.2087243488538237
Energy: 1.1245837774207885
Energy: 1.1826613601626792
Energy: 1.2262676723015213
Energy: 1.2162575076555606
Energy: 1.1245837774211944
Energy: 1.182661360163085
Energy: 1.226267672303144
Energy: 1.289752347627224
Energy: 1.176265348935161
Energy: 1.20750045608168
Energy: 1.1312918912124879
Energy: 1.289752347628035
Energy: 1.176265348935161
Energy: 1.2075004560824913
Energy: 1.1821532922055444
Energy: 1.1656209244405105
Energy: 1.191209067286034
Energy: 1.1649328946007826
Energy: 1.1821532922018936
Energy: 1.1656209244388878
Energy: 1.1912090672844111
Energy: 1.2895805271295127
Energy: 1.1559764638199592
Energy: 1.1959343281113846
Energy: 1.1761085501176618
Energy: 1.2895805271299186
Energy: 1.1559764638199592
Energy: 1.1959343281113846
Energy: 1.1328855392817603
Energy: 1.2013956322745596
Energy: 1.2105373698276534
Energy: 1.1825262729152077
Energy: 1.132885539280949
Energy: 1.2013956322745596
Energy: 1.2105373698256248
Energy: 1.1307992803044145
Energy: 1.1641631103179535
Energy: 1.2088484776074773
Energy: 1.1392416454305287
Energy: 1.1307992803036029
Energy: 1.1641631103179535
Energy: 1.2088484776046375
Energy: 1.2141051784259498
Energy: 1.1813534315074345
Energy: 1.166889965365144
Energy: 1.187246485869815
Energy: 1.2141051784271668
Energy: 1.1813534315086147
Energy: 1.1668899653659555
Energy: 1.1435019251092817
Energy: 1.146956777114221
Energy: 1.1805661187165624
Energy: 1.16152450140424
Energy: 1.1435019251092817
Energy: 1.1469567771146267
Energy: 1.1805661187137226
Energy: 1.2134621599846744
Energy: 1.200598435874278
Energy: 1.1163500228553966
Energy: 1.1648865090460303
Energy: 1.2134621599867028
Energy: 1.200598435874278
Energy: 1.1924196043919757
Energy: 1.1711351790995808
Energy: 1.2047972665417308
Energy: 1.194066024268853
Energy: 1.191733139910802
Energy: 1.171135179097958
Energy: 1.204797266538891
Energy: 1.19406602427007
Energy: 1.214003933599393
Energy: 1.1761800760213568
Energy: 1.1865943784154978
Energy: 1.172943742198819
Energy: 1.214003933597365
Energy: 1.1761800760213568
Energy: 1.1865943784163089
Energy: 1.2131780299319561
Energy: 1.1098970280093496
Energy: 1.2869799185138133
Energy: 1.1894151212690058
Energy: 1.213178029929522
Energy: 1.109897028010161
Energy: 1.2869799185138133

minimum gb energy = 1.1094087485732274 eV
minimum distance =  2.30009979789049 Angstroms
sigma value = 39


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

Energy: 1.114946012787648
Energy: 1.1554600815999971
Energy: 1.195360370021713
Energy: 1.1553796852715161
Energy: 1.1149460127881268
Energy: 1.1554600815971243
Energy: 1.2041633516277004
Energy: 1.1106544783687902
Energy: 1.0931340300275154
Energy: 1.0501690033983238
Energy: 1.0935930842650279
Energy: 1.1106544783683117
Energy: 1.0931340300313455
Energy: 1.0501690033978452
Energy: 1.117704397557717
Energy: 1.0404366051112626
Energy: 1.0546244831042968
Energy: 1.1449439574310103
Energy: 1.1177043975601106
Energy: 1.0404366051098262
Energy: 1.0442452954496106
Energy: 1.1103642064306474
Energy: 1.0933656849765812
Energy: 1.0504736383175708
Energy: 1.0325373697096942
Energy: 1.1103642064306474
Energy: 1.0933656849756237
Energy: 1.0504736383156557
Energy: 1.2280234320551597
Energy: 1.1448215555993733
Energy: 1.0759317529407706
Energy: 1.1447240312699156
Energy: 1.2280234320556385
Energy: 1.1448215556046397
Energy: 1.0504089340439404
Energy: 1.1104292396345086
Energy: 1.0347934926927262
Energy: 1.055322074480051
Energy: 1.1087734229337067
Energy: 1.110429239637381
Energy: 1.0347934926946414
Energy: 1.0553220744810088
Energy: 1.2649306271747849
Energy: 1.1446188271366347
Energy: 1.2267248411550196
Energy: 1.1452233489749646
Energy: 1.2649306271752638
Energy: 1.1446188271375919
Energy: 1.1011035173960058
Energy: 1.1105434851634741
Energy: 1.0561219731483689
Energy: 1.0968956114206123
Energy: 1.0563576388991587
Energy: 1.1105434851649103
Energy: 1.0561219731521991
Energy: 1.0968956114201336
Energy: 1.2650198711483682
Energy: 1.1450229838134054
Energy: 1.1668473920366342
Energy: 1.1450630639012163
Energy: 1.265019871151241
Energy: 1.1450229838114903
Energy: 1.1650899682186107
Energy: 1.1104785358487113
Energy: 1.1087289279747945
Energy: 1.0560996154608413
Energy: 1.0354695135389567
Energy: 1.1104785358501474
Energy: 1.108728927973358
Energy: 1.056099615463714
Energy: 1.227815558347602
Energy: 1.144994745473227
Energy: 1.130728957067993
Energy: 1.1449532473843214
Energy: 1.227815558349996
Energy: 1.1449947454679603
Energy: 1.1307289581026196
Energy: 1.110536779160342
Energy: 1.0327080418756238
Energy: 1.050654159362283
Energy: 1.0935568833784621
Energy: 1.1105367791589056
Energy: 1.0327080418756238
Energy: 1.0506541593675494
Energy: 1.1178302233043584
Energy: 1.1447273046965771
Energy: 1.114713031268683
Energy: 1.0405905958043216
Energy: 1.1178302233043584
Energy: 1.1447273046951407
Energy: 1.1147130312672466
Energy: 1.1106181292072446
Energy: 1.0933626890632044
Energy: 1.0503830690575888
Energy: 1.097586685514316
Energy: 1.1106181292067658
Energy: 1.093362689069907
Energy: 1.0503830690585463
Energy: 1.1149460127886057
Energy: 1.1554600816004759
Energy: 1.1860742764303653
Energy: 1.1553796852724738
Energy: 1.1149460127871693
Energy: 1.1554600815966458
Energy: 1.1581864569357745
Energy: 1.1106544783683117
Energy: 1.0931340300275154
Energy: 1.0501690033992814
Energy: 1.0935930842650279
Energy: 1.1106544783678327
Energy: 1.0931340300308667
Energy: 1.0501690033978452
Energy: 1.1177043975562804
Energy: 1.0404366051107838
Energy: 1.0442452951586478
Energy: 1.1449439574310103
Energy: 1.1177043975601106
Energy: 1.0404366051103051
Energy: 1.0442452950471375
Energy: 1.11036420642969
Energy: 1.093365685049311
Energy: 1.0504736383170918
Energy: 1.0325373697087366
Energy: 1.1103642064301684
Energy: 1.0933656850507472
Energy: 1.0504736383161344
Energy: 1.2280234320551597
Energy: 1.1448215555988945
Energy: 1.0504089340439404
Energy: 1.1447240312699156
Energy: 1.2280234320556385
Energy: 1.1448215556055974
Energy: 1.145689502192838
Energy: 1.1104292396354658
Energy: 1.0347934926893747
Energy: 1.0553220744810088
Energy: 1.1087734229356219
Energy: 1.110429239637381
Energy: 1.0347934926908111
Energy: 1.0553220744814875
Energy: 1.2649306271752638
Energy: 1.1446188271375919
Energy: 1.1011035173969632
Energy: 1.1452233489754433
Energy: 1.2649306271767
Energy: 1.1446188271375919
Energy: 1.1011035173969632
Energy: 1.1105434851634741
Energy: 1.0561219731483689
Energy: 1.0968956114196549
Energy: 1.0563576388991587
Energy: 1.1105434851649103
Energy: 1.0561219731517202
Energy: 1.09689561142157
Energy: 1.2650198711483682
Energy: 1.145022983811969
Energy: 1.0829737517677887
Energy: 1.1450630639016948
Energy: 1.2650198711498046
Energy: 1.1450229838105326
Energy: 1.1132954175393879
Energy: 1.1104785358477538
Energy: 1.1087289279724004
Energy: 1.0560996154613203
Energy: 1.035469513537999
Energy: 1.1104785358501474
Energy: 1.1087289279747945
Energy: 1.0560996154622777
Energy: 1.2278155583490382
Energy: 1.1449947454713119
Energy: 1.1070896784134745
Energy: 1.1449532473843214
Energy: 1.227815558351432
Energy: 1.1449947454703544
Energy: 1.1560442063803116
Energy: 1.110536779160342
Energy: 1.0327080418765813
Energy: 1.050654159362283
Energy: 1.0935568781856129
Energy: 1.1105367791584269
Energy: 1.032708041870836
Energy: 1.0506541593675494
Energy: 1.1178302233043584
Energy: 1.1447273046965771
Energy: 1.0290556817357568
Energy: 1.0405905958048003
Energy: 1.1178302233048372
Energy: 1.1447273046975344
Energy: 1.0290556817324057
Energy: 1.1106181292072446
Energy: 1.093362689059853
Energy: 1.0503830690590252
Energy: 1.0975866855147947
Energy: 1.1106181292072446
Energy: 1.0933626890550652
Energy: 1.0503830690590252
Energy: 1.1149460127890845
Energy: 1.1554600815990395
Energy: 1.2041633516238703
Energy: 1.1553796852710374
Energy: 1.114946012787648
Energy: 1.155460081597603
Energy: 1.2041633516277004
Energy: 1.1106544783678327
Energy: 1.093134030026558
Energy: 1.0501690033983238
Energy: 1.093593084271252
Energy: 1.1106544783683117
Energy: 1.0931340300327819
Energy: 1.0501690033978452

minimum gb energy = 1.0290556817324057 eV
minimum distance =  2.32115713184152 Angstroms
sigma value = 21


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

Energy: 1.232649910079858
Energy: 1.1770345191421576
Energy: 1.1217665450753926
Energy: 1.2133965915261888
Energy: 1.2326499100804391
Energy: 1.1770345191427387
Energy: 1.1217665450748115
Energy: 1.189628677568702
Energy: 1.1082766478860997
Energy: 1.168662145326641
Energy: 1.1334550755887143
Energy: 1.1896286775681206
Energy: 1.1082766478849373
Energy: 1.16866214532606
Energy: 1.1380489462877452
Energy: 1.1510414702019454
Energy: 1.0723790794877655
Energy: 1.1310667023482932
Energy: 1.1380489462865828
Energy: 1.151041470203108
Energy: 1.0723790794871841
Energy: 1.1747129632200357
Energy: 1.108326515687451
Energy: 1.2025223949048052
Energy: 1.1173843056845307
Energy: 1.174712963218873
Energy: 1.10832651568687
Energy: 1.2025223949053865
Energy: 1.136598028342966
Energy: 1.0729163525519643
Energy: 1.1234387174623526
Energy: 1.1045040873081704
Energy: 1.1365980283423849
Energy: 1.0729163525513832
Energy: 1.1053797621120318
Energy: 1.1713532608135784
Energy: 1.1144002757515559
Energy: 1.1671836777850686
Energy: 1.110579161062055
Energy: 1.1713532608135784
Energy: 1.1144002757498124
Energy: 1.1671836777844873
Energy: 1.166103146342051
Energy: 1.0837676968496492
Energy: 1.1181049327975636
Energy: 1.1195153878646373
Energy: 1.1661031463414697
Energy: 1.0837676968496492
Energy: 1.1204179848373634
Energy: 1.1698813008136577
Energy: 1.1539235884895986
Energy: 1.2011731275861062
Energy: 1.0968633680193791
Energy: 1.169881300811914
Energy: 1.1539235884895986
Energy: 1.201173127585525
Energy: 1.166187107497878
Energy: 1.1116082011728914
Energy: 1.115529184615669
Energy: 1.1383260945605513
Energy: 1.1661871074984593
Energy: 1.111608201174054
Energy: 1.1068030533684712
Energy: 1.1710530249423294
Energy: 1.1184335394501321
Energy: 1.0426123140985986
Energy: 1.092059666278899
Energy: 1.1710530249423294
Energy: 1.1184335394501321
Energy: 1.0426123140980175
Energy: 1.1654154156977006
Energy: 1.1244077634641947
Energy: 1.1389527149404406
Energy: 1.1381145529031838
Energy: 1.1654154156977006
Energy: 1.1244077634630323
Energy: 1.1398233365489256
Energy: 1.081372212951654
Energy: 1.1187711780499645
Energy: 1.1630959340842284
Energy: 1.0995620180339531
Energy: 1.0813722129504915
Energy: 1.1187711780493832
Energy: 1.1630959340848095
Energy: 1.17098357237532
Energy: 1.1157978965145947
Energy: 1.1481091542933657
Energy: 1.1136610518578856
Energy: 1.1709835723764825
Energy: 1.1157978965157571
Energy: 1.1238532929824214
Energy: 1.0510000814370482
Energy: 1.1397220879598566
Energy: 1.1811494851922173
Energy: 1.1303931777412386
Energy: 1.0510000814376292
Energy: 1.1397220879592753
Energy: 1.181149485191636
Energy: 1.1842461131136202
Energy: 1.0889959509310627
Energy: 1.136003247308037
Energy: 1.1811624240087086
Energy: 1.1842461131142015
Energy: 1.0889959509304812
Energy: 1.1360032473086183
Energy: 1.0811711680633485
Energy: 1.189901512304395
Energy: 1.1192724636004368
Energy: 1.193154477041971
Energy: 1.0811711680633485
Energy: 1.189901512303814
Energy: 1.1192724635998557
Energy: 1.184601229429734
Energy: 1.089027963466495
Energy: 1.0760442681515878
Energy: 1.1188218575238829
Energy: 1.1846012294285713
Energy: 1.089027963466495
Energy: 1.0760442681510065
Energy: 1.0547023330805343
Energy: 1.1550719358894128
Energy: 1.1005441667609843
Energy: 1.1730894442751916
Energy: 1.0547023330805343
Energy: 1.1550719358899941
Energy: 1.1005441667592406
Energy: 1.1716311318729662
Energy: 1.0840434810828468
Energy: 1.2292069972170843
Energy: 1.0970281679348757
Energy: 1.1716311318718036
Energy: 1.0840434810822657
Energy: 1.2292069972159219
Energy: 1.0536598147485137
Energy: 1.1603488430377993
Energy: 1.1092277649826634
Energy: 1.1713249207608198
Energy: 1.0536598147485137
Energy: 1.1603488430377993
Energy: 1.1092277649826634
Energy: 1.1676030076075068
Energy: 1.1131029731566824
Energy: 1.0912943343720596
Energy: 1.0892140653450535
Energy: 1.1676030076069255
Energy: 1.1131029731572637
Energy: 1.0912943343732222
Energy: 1.0546173901251057
Energy: 1.1802352810899688
Energy: 1.136709921521369
Energy: 1.1228927835765494
Energy: 1.0546173901268494
Energy: 1.1802352810893875
Energy: 1.1367099215196255
Energy: 1.1847088210086782
Energy: 1.1138968117541161
Energy: 1.064175820743098
Energy: 1.1826600711023931
Energy: 1.1847088210086782
Energy: 1.1138968117535348
Energy: 1.064175820743098
Energy: 1.0678072760090969
Energy: 1.189791057602588
Energy: 1.1172541733972314
Energy: 1.1580188218222962
Energy: 1.0678072760079345
Energy: 1.1897910576020068
Energy: 1.1172541733972314
Energy: 1.1931106407619854
Energy: 1.1137306500260122
Energy: 1.12847937961653
Energy: 1.1997554495261629
Energy: 1.1931106407619854
Energy: 1.1137306500271744
Energy: 1.1167304220057492

minimum gb energy = 1.0426123140980175 eV
minimum distance =  2.28245578580957 Angstroms
sigma value = 113


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

Energy: 1.1319641285839044
Energy: 1.180161180175141
Energy: 1.030071448742746
Energy: 1.1796898449774817
Energy: 1.1319641285807194
Energy: 1.1801611801816285
Energy: 1.0983084127172433
Energy: 1.1530588312675112
Energy: 1.0971331861737703
Energy: 1.0914838224303942
Energy: 1.0974364137665296
Energy: 1.153058831270755
Energy: 1.0971331861737703
Energy: 1.0914838224368815
Energy: 1.1314046593634435
Energy: 1.102704599372584
Energy: 1.1858223613276933
Energy: 1.1117904088715587
Energy: 1.1314046593634435
Energy: 1.1027045993661553
Energy: 1.1858223613276933
Energy: 1.0147315358642761
Energy: 1.0970773276342203
Energy: 1.1627338284173203
Energy: 1.1285530330375277
Energy: 1.0147315358642761
Energy: 1.097077327637464
Energy: 1.1627338284173203
Energy: 1.1658963786689975
Energy: 1.0329807907431967
Energy: 1.1087307908380715
Energy: 1.0320578130968698
Energy: 1.1658963786722412
Energy: 1.032980790739953
Energy: 1.174481121373575
Energy: 1.014121664106975
Energy: 1.0268306053250829
Energy: 1.2197115670307095
Energy: 1.0185318401148558
Energy: 1.0141216641102189
Energy: 1.0268306053250829
Energy: 1.2197115670242218
Energy: 1.0979050208963672
Energy: 1.0330051622076348
Energy: 1.1707588960071607
Energy: 1.0348405732670702
Energy: 1.0979050208931234
Energy: 1.0330051622108787
Energy: 1.242568850604224
Energy: 1.01371673429941
Energy: 1.072583854642052
Energy: 1.26388246014705
Energy: 1.0466334019277794
Energy: 1.0137167343058975
Energy: 1.0725838546485396
Energy: 1.2638824601535374
Energy: 1.0987920539855953
Energy: 1.0429409687075621
Energy: 1.0871909190026827
Energy: 1.0312262984477876
Energy: 1.098792053988839
Energy: 1.0429409687010747
Energy: 1.08719091900917
Energy: 1.0139184556534744
Energy: 1.0416404856968953
Energy: 1.1768520695579672
Energy: 1.0584342578606967
Energy: 1.0139184556567182
Energy: 1.0416404856936516
Energy: 1.1768520695579672
Energy: 1.1197839826726776
Energy: 1.0526319471491676
Energy: 1.1374261571430235
Energy: 1.0312849198512175
Energy: 1.1197839826661902
Energy: 1.0526319471491676
Energy: 1.137426157136536
Energy: 1.0145641363564486
Energy: 1.0156612876544397
Energy: 1.0988341596472873
Energy: 1.0537564851171832
Energy: 1.0145641363564486
Energy: 1.0156612876576832
Energy: 1.0988341596472873
Energy: 1.1198558138117478
Energy: 1.023695509876051
Energy: 1.1137556627939742
Energy: 1.0341356327459441
Energy: 1.1198558138020165
Energy: 1.0236955098825384
Energy: 1.113755662797218
Energy: 1.0675193798129015
Energy: 1.1128189955407273
Energy: 1.1593849567498784
Energy: 1.0503449810138208
Energy: 1.0675193798129015
Energy: 1.1128189955407273
Energy: 1.1593849567466348
Energy: 1.12060992977099
Energy: 1.0426886337393928
Energy: 1.1582082356747887
Energy: 1.083652814956804
Energy: 1.1206099297645025
Energy: 1.0426886337393928
Energy: 1.1582082356747887
Energy: 1.0669609216088454
Energy: 1.0277435613016208
Energy: 1.012413867224699
Energy: 1.0317799168866824
Energy: 1.0669609216185765
Energy: 1.0277435613016208
Energy: 1.0124138672279428
Energy: 1.0949741938320185
Energy: 1.0236085928482677
Energy: 1.1576454575131974
Energy: 1.0168434533669042
Energy: 1.094974193838506
Energy: 1.0236085928482677
Energy: 1.3556089080541398
Energy: 1.0134194237383614
Energy: 1.0306384996246267
Energy: 0.9931572654591341
Energy: 1.0292400634581633
Energy: 1.0134194237383614
Energy: 1.0306384996213829
Energy: 0.9931572654526466
Energy: 1.0949713990932541
Energy: 1.0506564350511995
Energy: 1.0561883497188784
Energy: 1.044982479072538
Energy: 1.0949713990867667
Energy: 1.0506564350511995
Energy: 1.0540244211960208
Energy: 1.040478152494918
Energy: 1.0337057606054936
Energy: 1.0461782670038238
Energy: 1.0224878245613382
Energy: 1.040478152494918
Energy: 1.0337057606022497
Energy: 1.0461782670038238
Energy: 1.096413024493567
Energy: 1.0423044988814654
Energy: 1.301955906474833
Energy: 1.0567968010236237
Energy: 1.0964130244903232
Energy: 1.0423044988847092
Energy: 1.2514825136068213
Energy: 1.0388707044874526
Energy: 1.026949256302135
Energy: 1.1015469075318822
Energy: 1.020228296392626
Energy: 1.0388707044842087
Energy: 1.0269492562988913
Energy: 1.1015469075383697
Energy: 1.0964193266915856
Energy: 1.0413223965776537
Energy: 1.2542614732484245
Energy: 1.016548286168831
Energy: 1.0964193266948292
Energy: 1.0413223965776537
Energy: 1.254261473254912
Energy: 1.0555531769188458
Energy: 1.0463003968021207
Energy: 1.0777542673628753
Energy: 1.0204886288462471
Energy: 1.0555531769188458
Energy: 1.0463003968021207
Energy: 1.0777542673564466
Energy: 1.0968385262096159
Energy: 1.1138659771136374
Energy: 1.1050279684489854
Energy: 1.1040676546013968
Energy: 1.0968385262161033
Energy: 1.1138659771136374
Energy: 1.131118734137579
Energy: 1.064610185773886
Energy: 1.1119125763401416
Energy: 1.236390766230638
Energy: 1.0689712304655719
Energy: 1.06461018577713
Energy: 1.1119125763401416
Energy: 1.2363907662273943
Energy: 1.1975593416276356
Energy: 1.1170737204391452
Energy: 1.12886196479426
Energy: 1.1027781591646661
Energy: 1.1975593416276356
Energy: 1.1170737204359014
Energy: 1.1070151281435434
Energy: 1.0643831593061077
Energy: 1.1923068699564465
Energy: 1.0900898400811663
Energy: 1.1388165955143486
Energy: 1.0643831593093513
Energy: 1.1923068699467154
Energy: 1.0900898400811663
Energy: 1.1967568366113297
Energy: 1.1185436129155655
Energy: 1.158721649657823
Energy: 1.1783319573516902
Energy: 1.1967568365594892
Energy: 1.1185436129155655
Energy: 1.164062629618938
Energy: 1.0637898795075096
Energy: 1.111969038072839
Energy: 1.0699275114715106
Energy: 1.064528046227065
Energy: 1.0637898795075096
Energy: 1.111969038076083
Energy: 1.0699275120518998
Energy: 1.0997573238827039
Energy: 1.1186385141016069
Energy: 1.2091343871193958
Energy: 1.106684532055187
Energy: 1.0997573238827039
Energy: 1.1186385140983632
Energy: 1.2091343871193958
Energy: 1.0635802839310609
Energy: 1.047385000803871
Energy: 1.1496286080953786
Energy: 1.0192047949758212
Energy: 1.063580283927817
Energy: 1.047385000803871
Energy: 1.1496286080888911
Energy: 1.0988582756973932
Energy: 1.0512187366518122
Energy: 1.2864244259566044
Energy: 1.1224859565348488
Energy: 1.0988582757006369
Energy: 1.0512187366453247
Energy: 1.2864244259566044
Energy: 1.0744866973377085
Energy: 1.0496199769278345
Energy: 1.0508479924586827
Energy: 1.0213538822278516
Energy: 1.0744866973409524
Energy: 1.0496199769278345
Energy: 1.0508479924586827
Energy: 1.0731248233586261
Energy: 1.044662073160342
Energy: 1.218564357317373
Energy: 1.116167802073038
Energy: 1.0731248233553825
Energy: 1.0446620731570981
Energy: 1.2185643573141292
Energy: 1.0746121846966181
Energy: 1.0435124377958576
Energy: 1.1953910467782518
Energy: 1.0369918650939616
Energy: 1.0746121847031052
Energy: 1.0435124377958576
Energy: 1.1953910467847395
Energy: 1.0737181238688869
Energy: 1.0482130623366894
Energy: 1.1196969262911036
Energy: 1.070101079715571
Energy: 1.0737181238656432
Energy: 1.0482130623334458
Energy: 1.1196969262942886
Energy: 1.0712797583123712
Energy: 1.0435147739275572
Energy: 1.1536421756401452
Energy: 1.039462528270386
Energy: 1.0712797583156148
Energy: 1.0435147739308008
Energy: 1.153642175643389
Energy: 1.0737666110599442
Energy: 1.1269042693134415
Energy: 1.1806198990944976
Energy: 1.054586862787372
Energy: 1.0737666110567006
Energy: 1.1269042693101976
Energy: 1.1806198990912542
Energy: 1.0713871805355273
Energy: 1.078397614124189
Energy: 1.0616825180473222
Energy: 1.0964390011273772
Energy: 1.0713871805355273
Energy: 1.078397614127433
Energy: 1.0616825180473222
Energy: 1.1264746728336006
Energy: 1.0395948652540683
Energy: 1.2351518423675554
Energy: 1.054708552318461
Energy: 1.126474672830357
Energy: 1.0395948652605558
Energy: 1.2351518423707988
Energy: 1.0715561832000893
Energy: 1.0482925581001912
Energy: 1.1774433348116107
Energy: 1.0850804231908844
Energy: 1.0715561832032738
Energy: 1.0482925581001912
Energy: 1.1774433348116107
Energy: 1.0704789436165425
Energy: 1.0400789020187868
Energy: 1.2145562475690324
Energy: 1.054399894965959
Energy: 1.0704789436165425
Energy: 1.0400789020187868
Energy: 1.2145562475690324
Energy: 1.07120247713962
Energy: 1.025023523213058
Energy: 1.3410247369532544
Energy: 1.0210063202672326
Energy: 1.0712024771428637
Energy: 1.025023523213058
Energy: 1.3410247369564983
Energy: 1.0154411480061325
Energy: 1.114450588269689
Energy: 1.2738512669866424
Energy: 1.0675190872201485
Energy: 1.0154411480093761
Energy: 1.1144505882664453
Energy: 1.2738512669866424

minimum gb energy = 0.9931572654526466 eV
minimum distance =  2.27091346251986 Angstroms
sigma value = 365


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

Energy: 0.8881838283701579
Energy: 0.8078236758425551
Energy: 1.3389950738158725
Energy: 0.8078236758425551
Energy: 0.8881838283730831
Energy: 0.8078236758418238
Energy: 0.9870753771612855
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 1.361939031667608
Energy: 0.8078236758425551
Energy: 0.8881838283701579
Energy: 0.8078236758418238
Energy: 1.092935853195364
Energy: 0.8881838283708892
Energy: 0.8078236758403612
Energy: 1.234090950255382
Energy: 0.8078236758410925
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 1.1371982811090753
Energy: 0.8881838283701579
Energy: 0.8078236758425551
Energy: 1.2182530375228457
Energy: 0.8078236758418238
Energy: 0.8881838283738145
Energy: 0.8078236758418238
Energy: 1.0446813126882264
Energy: 0.8881838283708892
Energy: 0.8078236758432864
Energy: 1.2277340741991813
Energy: 0.8078236758425551
Energy: 0.8881838283701579
Energy: 0.8078236758410925
Energy: 1.076003087358848
Energy: 0.8881838283701579
Energy: 0.8078236758403612
Energy: 1.1696234688618918
Energy: 0.8078236758410925
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 1.1184889863031269
Energy: 0.8881838283701579
Energy: 0.8078236758425551
Energy: 1.1904740790894486
Energy: 0.8078236758425551
Energy: 0.8881838283730831
Energy: 0.8078236758425551
Energy: 1.101274492892597
Energy: 0.8881838283708892
Energy: 0.8078236758432864
Energy: 1.2788339341742123
Energy: 0.8078236758418238
Energy: 0.8881838283708892
Energy: 0.8078236758418238
Energy: 1.1205970366191915
Energy: 0.8881838283694266
Energy: 0.8078236758410925
Energy: 1.044681317365954
Energy: 0.8078236758418238
Energy: 0.8881838283701579
Energy: 0.8078236758425551
Energy: 1.044681318282651
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 1.0581668224234766
Energy: 0.8078236758418238
Energy: 0.8881838283738145
Energy: 0.8078236758425551
Energy: 1.1150316961969509
Energy: 0.8881838283701579
Energy: 0.8078236758425551
Energy: 1.044681317776799
Energy: 0.8078236758425551
Energy: 0.8881838283701579
Energy: 0.8078236758418238
Energy: 1.100707462323001
Energy: 0.8881838283708892
Energy: 0.8078236758403612
Energy: 0.9870753771634794
Energy: 0.8078236758410925
Energy: 0.8881838283708892
Energy: 0.8078236758418238
Energy: 0.9870753771634794
Energy: 0.8881838283701579
Energy: 0.8078236758418238
Energy: 0.9870753771634794
Energy: 0.8078236758418238
Energy: 0.8881838283730831
Energy: 0.8078236758425551
Energy: 1.1150316961991447
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 0.9870753771620168
Energy: 0.8078236758418238
Energy: 0.8881838283708892
Energy: 0.8078236758418238
Energy: 1.1007074623237323
Energy: 0.8881838283701579
Energy: 0.8078236758403612
Energy: 0.9870753771627481
Energy: 0.8078236758410925
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 0.9870753771620168
Energy: 0.8881838283708892
Energy: 0.8078236758418238
Energy: 0.9870753771605542
Energy: 0.8078236758410925
Energy: 0.8881838283738145
Energy: 0.8078236758425551
Energy: 1.1012744928933282
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 0.9870753771627481
Energy: 0.8078236758425551
Energy: 0.8881838283701579
Energy: 0.8078236758418238
Energy: 1.1150316962013385
Energy: 0.8881838283708892
Energy: 0.8078236758403612
Energy: 0.9870753771634794
Energy: 0.8078236758410925
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 0.9870753771627481
Energy: 0.8881838283694266
Energy: 0.8078236758418238
Energy: 0.9870753771612855
Energy: 0.8078236758418238
Energy: 0.8881838283730831
Energy: 0.8078236758425551
Energy: 1.0446813205941066
Energy: 0.8881838283708892
Energy: 0.8078236758425551
Energy: 0.9870753771620168
Energy: 0.8078236758418238
Energy: 0.8881838283708892
Energy: 0.8078236758410925
Energy: 1.1012744928940597

minimum gb energy = 0.8078236758403612 eV
minimum distance =  2.3138908480613 Angstroms
sigma value = 23