Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002
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=2.8510001525282864
cohesive_energy=4.2903370704706045
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=[1.7044595903145597e-19, 2.3866343575390797e-19, 3.3934902196437003e-19, 3.9069557873080197e-19, 4.3337115555402594e-19, 4.69865534923278e-19, 5.014460385560519e-19, 5.289810461879759e-19, 5.531002132362119e-19, 5.74282590514326e-19, 5.92895076471504e-19, 6.092340737850359e-19, 6.23541511126656e-19, 6.3601285404571195e-19, 6.46817933265408e-19, 6.560977403295359e-19, 6.63975642838914e-19, 6.705557822747519e-19, 6.759342892350899e-19, 6.8018967037499395e-19, 6.833956258196279e-19, 6.856178448109859e-19, 6.86912403531258e-19, 6.87333775986e-19, 6.86881962175212e-19, 6.8544320755788e-19, 6.8285248794070195e-19, 6.788854985949179e-19, 6.73285891259088e-19, 6.657588654325559e-19, 6.5595995313901195e-19, 6.434693841003479e-19, 6.277824726768539e-19, 6.082855852177079e-19, 5.842160856451259e-19, 5.54636700628218e-19, 5.183794434007979e-19, 4.739815266960239e-19, 4.1958442561845597e-19, 3.52813714396506e-19, 2.7059481606952796e-19, 1.6890146075628e-19, 4.2371163262763994e-20, -1.162414395852948e-19, -3.17106003754548e-19, -5.75384888038518e-19, -9.14871697193412e-19, -1.37499599818197e-18, -2.0254717007027998e-18, -3.0000437036323195e-18, -4.5841477852008e-18, -7.462329934051079e-18, -1.3498482337347059e-17, -2.85136171199712e-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: 0.0162920496744392
Energy: 0.016655579501989443
Energy: 1.2748767034348878
Energy: 0.016987750915678588
Energy: 0.01680970652928871
Energy: 1.3757922755898282
Energy: 0.016534555017286113
Energy: 0.01659655375769861
Energy: 0.20523240642592397
Energy: 0.16487299340935843
Energy: 0.1651215006048329
Energy: 0.20403349988496705
Energy: 0.2042563744527107
Energy: 0.1652471625667746
Energy: 0.16538831439139567
Energy: 0.20400393025922053
Energy: 0.20391355549619875
Energy: 0.16532335490945665
Energy: 0.16508189779907875
Energy: 0.20440358488237115
Energy: 0.16500688333142433
Energy: 0.16543784946002704
Energy: 0.20392656211850194
Energy: 0.2050679451125891
Energy: 0.16504836958926505
Energy: 0.16560185897834995
Energy: 0.20455775157079567
Energy: 0.16485896905322858
Energy: 0.1650447683240572
Energy: 0.2044574611026866
Energy: 0.20411478115069998
Energy: 0.165258530669252
Energy: 0.16489643773745416
Energy: 0.203933528077271
Energy: 0.1659556186774145
Energy: 0.016597868633951955
Energy: 0.20397208530770142
Energy: 0.16482063604648886
Energy: 0.017146535014266454
Energy: 0.01725989520630864
Energy: 0.20437710265083248
Energy: 0.1651473279526521

minimum gb energy = 0.0162920496744392 eV
minimum distance =  2.43839188522354 Angstroms
sigma value = 5


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

Energy: 2.421238096969285
Energy: 1.108750345496213
Energy: 1.251255354849562
Energy: 1.1239145691707841
Energy: 1.1237292507190748
Energy: 1.209957855376532
Energy: 1.1482146555646353
Energy: 1.1500975511644678
Energy: 1.1688803367015084
Energy: 1.1968720776157915
Energy: 1.188307372006736
Energy: 1.1624425039351687
Energy: 1.2045106321716246
Energy: 1.174815708720255
Energy: 1.1699066019899522
Energy: 1.2099638422532555
Energy: 1.1765304204945644
Energy: 1.182054281577543
Energy: 1.1892793946285183
Energy: 1.2224372619237265
Energy: 1.181249876349373
Energy: 1.1702043891771177
Energy: 1.2101366304538699
Energy: 1.1888028187116635
Energy: 1.170726480211005
Energy: 1.1887865286465094
Energy: 1.1987327207214138
Energy: 1.1748204864872502
Energy: 1.167308047861594
Energy: 1.1982698342647689
Energy: 1.1875608485673157
Energy: 1.1753616809861842
Energy: 1.1860910039201353
Energy: 1.2009402762288366
Energy: 1.1805768366819958
Energy: 1.209458546458539
Energy: 1.1986753053931058
Energy: 1.1810071036567453
Energy: 1.202094202354241
Energy: 1.215012585385039
Energy: 1.1781021674775607
Energy: 1.191318512006019
Energy: 1.2090623701851346
Energy: 1.1694133556151436
Energy: 1.1783302381198966
Energy: 1.2028459360294592
Energy: 1.1806112629554768
Energy: 1.1708880365879928
Energy: 1.194079211635931
Energy: 1.2066680159240006
Energy: 1.1664832967567926
Energy: 1.1749279914024284
Energy: 1.1944602232877846
Energy: 1.190182927097209
Energy: 1.172396061537112
Energy: 1.1756139766510671
Energy: 1.1551083406054172
Energy: 1.1296291300729742
Energy: 1.1891627298236196
Energy: 1.1488093594585624
Energy: 1.1379064602939142
Energy: 1.1301241283998122
Energy: 1.14321184655406
Energy: 1.2580806510766165
Energy: 1.1637027950684564
Energy: 1.1389076722151124
Energy: 1.1421288251524537
Energy: 1.1286137483021723
Energy: 1.1265186321616563
Energy: 1.2173385434000232
Energy: 1.2000343206618327
Energy: 1.1938925227004595
Energy: 1.1770800960622017
Energy: 1.2280727277350838
Energy: 1.1875670266993201
Energy: 1.218616525362796
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Energy: 1.2075084117908192
Energy: 1.167400732859042
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Energy: 1.2035210872400197
Energy: 1.182940049363463
Energy: 1.1717298541224064
Energy: 1.185309086926462
Energy: 1.2115956042271285
Energy: 1.1692812828784667
Energy: 1.2039290187964344
Energy: 1.1996128526250414
Energy: 1.1824021886383613
Energy: 1.172443189120028
Energy: 1.1961174014312157
Energy: 1.1483379454659974
Energy: 1.1344538278448049
Energy: 1.1315641942857866
Energy: 1.1671661375562157
Energy: 1.145806080061954
Energy: 1.1411015262316255
Energy: 1.1563591512116156
Energy: 1.1435235580762864
Energy: 1.1386523343616965
Energy: 1.1369187828873777
Energy: 1.161367849766624
Energy: 1.1444475118318103
Energy: 1.1355454211695175
Energy: 1.149585590254854
Energy: 1.1425024626624392
Energy: 1.1333484232869442
Energy: 1.1575195452108373
Energy: 1.1591059565913089
Energy: 1.1517152555507428
Energy: 1.1532846643022416
Energy: 1.1505907391920216
Energy: 1.1412886526315755
Energy: 1.1440613985162849
Energy: 1.200086952502905
Energy: 1.1576112189316905
Energy: 1.1508876701303112
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Energy: 1.1496130645294647
Energy: 1.1924027629461882
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Energy: 1.1256851179681493
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Energy: 1.1815269646073965
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Energy: 1.159951309844376
Energy: 1.1326857280973583
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Energy: 1.138588504388787
Energy: 1.15611339807078
Energy: 1.1006657555255377
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Energy: 1.2143887765467531
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Energy: 1.1946304949033444
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Energy: 1.154176478506438
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Energy: 1.1456697139511738
Energy: 1.1468810236616884
Energy: 1.1395346540602262
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Energy: 1.107340942047028
Energy: 1.1588031211584846
Energy: 1.1233497871992906
Energy: 1.1071220332084017
Energy: 1.1481051610229451
Energy: 1.1796084013791
Energy: 1.1265161749528736
Energy: 1.1131353693005523
Energy: 1.147319206250522
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Energy: 1.1215065484667122
Energy: 1.1683874439493567
Energy: 1.1242434323910853
Energy: 1.1059595470481107
Energy: 1.1619755012581805
Energy: 1.1518892217350654
Energy: 1.104177604284082
Energy: 1.1495820897532538
Energy: 1.1728411422335363
Energy: 1.1218398458521666
Energy: 1.1583001041330667
Energy: 1.1417417317453664
Energy: 1.161836478316764
Energy: 1.1505414368546525
Energy: 1.1228996694371811
Energy: 1.1048994826597156
Energy: 1.2008161882594994
Energy: 1.179884243700136
Energy: 1.1211545158272467
Energy: 1.1059424318064077
Energy: 1.1520750748334183
Energy: 1.134872625698636
Energy: 1.106458388165843
Energy: 1.2137785877692204
Energy: 1.1573961131435562
Energy: 1.1159017611269675
Energy: 1.1225072216730339
Energy: 1.1618667065438661
Energy: 1.123152442888
Energy: 1.104048974701485
Energy: 1.1497919070374591
Energy: 1.117274349165731
Energy: 1.1497666145086913
Energy: 1.1526549654305192
Energy: 1.104179296439729
Energy: 1.1226164739044102
Energy: 1.1621717629148742
Energy: 1.120921391351165
Energy: 1.185839079025844
Energy: 1.180062863101237
Energy: 1.1520297546246179
Energy: 1.105312030371564
Energy: 1.1327786335659629
Energy: 1.1528931865606478
Energy: 1.184039242353073
Energy: 1.2596867896957091
Energy: 1.215111104764312
Energy: 1.1292826552635142
Energy: 1.1046459944664695
Energy: 1.155908779399578
Energy: 1.1312113441287246
Energy: 1.1622780956044958
Energy: 1.1528981279356332
Energy: 1.1158901832060073
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Energy: 1.1623866725285885
Energy: 1.1504202096187088
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Energy: 1.1241247171583717
Energy: 1.1478805520462263
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Energy: 1.1065065835386894
Energy: 1.1662055089551477
Energy: 1.1500231661460247
Energy: 1.1078234637703541
Energy: 1.125247731557622
Energy: 1.153914623096985
Energy: 1.1105935824441393
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Energy: 1.1082141966708643
Energy: 1.1233588181855105
Energy: 1.196657755449958
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Energy: 1.146309013628866
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Energy: 1.1966050809855182
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Energy: 1.1474844902584114
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Energy: 1.1414395190698854
Energy: 1.1632473361576994
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Energy: 1.1601544740189458
Energy: 1.1424599024463375
Energy: 1.121262105589078
Energy: 1.1511769411108068
Energy: 1.1481191658639829
Energy: 1.122262469680816
Energy: 1.0998741419967464
Energy: 1.132565838990881
Energy: 1.1174586771386017
Energy: 1.1046539236003492
Energy: 1.1734398003752817
Energy: 1.2258231820129535
Energy: 1.1923841430546913
Energy: 1.1041317578979468
Energy: 1.1814063229385618
Energy: 1.1361790512414303
Energy: 1.1063329315402255
Energy: 1.154337592848924
Energy: 1.1341390554951376
Energy: 1.142212216332302
Energy: 1.149636564458386
Energy: 1.1813582023572637
Energy: 1.1456764752216329
Energy: 1.1608270667244567
Energy: 1.200084235772077
Energy: 1.133935601052824
Energy: 1.141238410212763
Energy: 1.1477820482266772
Energy: 1.1386414451856437
Energy: 1.1472781084472483
Energy: 1.1619330294269656
Energy: 1.145420870851831
Energy: 1.137411064705089
Energy: 1.1420015518915645
Energy: 1.1560283766416957
Energy: 1.1379626695318603
Energy: 1.1486368483787064
Energy: 1.1687597355439112
Energy: 1.151918126586763
Energy: 1.1822767821344766
Energy: 1.1803944558338282
Energy: 1.151501779054045
Energy: 1.2449769846830776
Energy: 1.1798303580229137
Energy: 1.1673625085032509
Energy: 1.2063983677404202
Energy: 1.1664056096708317
Energy: 1.1816714336937106
Energy: 1.1924086298366816
Energy: 1.1669895689929364
Energy: 1.1739918458027618
Energy: 1.2005432386474855
Energy: 1.1810560003313546
Energy: 1.1661382483480855
Energy: 1.2080527307748614
Energy: 1.1978296824841594
Energy: 1.1796050447345892
Energy: 1.1882744555861655
Energy: 1.1999208236069976
Energy: 1.178382544650573
Energy: 1.1663432039511374
Energy: 1.1345742907431902
Energy: 1.1841086214888519
Energy: 1.2049129560021596
Energy: 1.1900204666521943
Energy: 1.1906727343437444
Energy: 1.1734892130765826
Energy: 1.1728269591507972
Energy: 1.191456344080826
Energy: 1.1368533446015374
Energy: 1.1272713711435416
Energy: 1.126456980308373
Energy: 1.1526420615380284
Energy: 1.1304699375119032

minimum gb energy = 1.0998741419967464 eV
minimum distance =  2.26884655732798 Angstroms
sigma value = 401


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

Energy: 1.9299947410336875
Energy: 1.2379402556147379
Energy: 1.1897866021116579
Energy: 1.1231387662740517
Energy: 1.136747204598419
Energy: 1.3569672892358062
Energy: 1.1732731993906464
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Energy: 1.134480172005878
Energy: 1.20709224251561
Energy: 1.1391796041877118
Energy: 1.1334769515817085
Energy: 1.1390051839244941
Energy: 1.137836659815991
Energy: 1.1689053056376517
Energy: 1.125077178815697
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Energy: 1.1339120339820106
Energy: 1.2247811327287077
Energy: 1.1662700490627653
Energy: 1.1688423520241233
Energy: 1.13004730519594
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Energy: 1.16676509092213
Energy: 1.1890560952578098
Energy: 1.1803474920915678
Energy: 1.1674697521635293
Energy: 1.1718770254178843
Energy: 1.134807730650747
Energy: 1.1868686585594834
Energy: 1.1860981313487495
Energy: 1.1531424419752014
Energy: 1.2647083204851393
Energy: 1.187480588559216
Energy: 1.264101732544871
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Energy: 1.1884435075936486
Energy: 1.1889722853150355
Energy: 1.1888836951283173
Energy: 1.172327743964364
Energy: 1.1875385722268588
Energy: 1.2636886178752518
Energy: 1.1667656672381261
Energy: 1.166623586598196
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Energy: 1.13585952366797
Energy: 1.139742130169152
Energy: 1.1606148124496167
Energy: 1.14777231871938
Energy: 1.1318875775282622
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Energy: 1.2232730457919994
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Energy: 1.2580314410773628
Energy: 1.1883382880710223
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Energy: 1.166406667731908
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Energy: 1.1661427608127284
Energy: 1.138691068728133
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Energy: 1.2053226252701232
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Energy: 1.1332158660593998
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Energy: 1.10908761866385
Energy: 1.1450385029946655
Energy: 1.1420218293867732
Energy: 1.1127668915537918
Energy: 1.1138779284245897
Energy: 1.1328717601306613
Energy: 1.146984337395651
Energy: 1.1092154516376913
Energy: 1.1347070050506234
Energy: 1.140316750276606
Energy: 1.1113274843688656
Energy: 1.1128389093535596
Energy: 1.1382042341272587
Energy: 1.1393008746797697
Energy: 1.1699917295633486
Energy: 1.1356320348096376
Energy: 1.1865235415726174
Energy: 1.1658627134137018
Energy: 1.1356669032044706
Energy: 1.2397097070791647
Energy: 1.1659952242621576
Energy: 1.1672869390035414
Energy: 1.2660735214583072
Energy: 1.187058933987621
Energy: 1.1669291520913712
Energy: 1.1670715616602645
Energy: 1.266855451903622
Energy: 1.168062729139852
Energy: 1.1741499892544427
Energy: 1.1880636920346466
Energy: 1.187295210212402
Energy: 1.1846816600805181
Energy: 1.1893444952035612
Energy: 1.2663958499632066
Energy: 1.1891815723812065
Energy: 1.2647725627522015
Energy: 1.1887413259831026
Energy: 1.1876268733597692
Energy: 1.1868260270840725
Energy: 1.1896804077119876
Energy: 1.1868217026137124
Energy: 1.1878300486302102
Energy: 1.263344161973157
Energy: 1.1688620843891762
Energy: 1.1663925055499225
Energy: 1.18815135312043
Energy: 1.1875966703393661
Energy: 1.1663483189900454
Energy: 1.187420465724193
Energy: 1.2595575880330343
Energy: 1.170330227381684
Energy: 1.1663255979386098
Energy: 1.2292259818108306
Energy: 1.1694087550165124
Energy: 1.1666107850615612
Energy: 1.1872633381793731
Energy: 1.1367751362125755
Energy: 1.132996351866014
Energy: 1.1381058040221337
Energy: 1.2068335240957593
Energy: 1.1351995760410871
Energy: 1.1388751536787067
Energy: 1.1808080801345509
Energy: 1.2254297518084514
Energy: 1.108845930306631
Energy: 1.1733421375546869
Energy: 1.1839508603504008
Energy: 1.1264409476949437
Energy: 1.1732635610946331
Energy: 1.220694429444337
Energy: 1.1344870425692812
Energy: 1.1336980062960056
Energy: 1.138293301999575
Energy: 1.1812512331307155
Energy: 1.1373803140385812
Energy: 1.138863740860468
Energy: 1.2045143100434657
Energy: 1.2597997901529547
Energy: 1.1703651303431888
Energy: 1.165876242835108
Energy: 1.2292092929536045
Energy: 1.1693650128482942
Energy: 1.1670074875978331
Energy: 1.187688371006349
Energy: 1.2599437967616876
Energy: 1.1672243133759974
Energy: 1.2203700541783455
Energy: 1.2229120362256245
Energy: 1.1740208781660357
Energy: 1.2205754478604793
Energy: 1.2202471876100818
Energy: 1.259559080944757
Energy: 1.1705004746049301
Energy: 1.1658773273809697
Energy: 1.1876858998054107
Energy: 1.1694539268965407
Energy: 1.167306945230093
Energy: 1.2210579456654798
Energy: 1.1348999947278706
Energy: 1.1310608754910365
Energy: 1.1377263304022862
Energy: 1.1678125976217977
Energy: 1.1348090908943342
Energy: 1.1597769528875048
Energy: 1.1508249607208614
Energy: 1.1334880755040637
Energy: 1.1315569889397115
Energy: 1.1380963917797564
Energy: 1.1427703417330317
Energy: 1.146306808178997
Energy: 1.1601933482127258
Energy: 1.134887310961597
Energy: 1.1334164368470847
Energy: 1.133694965597529
Energy: 1.1498146327100462
Energy: 1.1385000086994495
Energy: 1.1340048978516712
Energy: 1.1324886727877863
Energy: 1.137894708923312
Energy: 1.169802528778826
Energy: 1.1670765113614265
Energy: 1.187760996557497
Energy: 1.16951495474329
Energy: 1.172096111769502
Energy: 1.1870816971434226
Energy: 1.1659648940741292
Energy: 1.1663578438293891
Energy: 1.1444720628000635
Energy: 1.1878141131468174
Energy: 1.180149863302438
Energy: 1.1673673225549925
Energy: 1.266368055198224
Energy: 1.2202957945489057
Energy: 1.1687351483069957
Energy: 1.1250238679764457
Energy: 1.1878212818606175
Energy: 1.1684731587705945
Energy: 1.1365662061864226
Energy: 1.242327055198078
Energy: 1.1658769099631776
Energy: 1.1090542128831018
Energy: 1.1343186881703986
Energy: 1.1500913144224356
Energy: 1.110697656112276
Energy: 1.111841628692851
Energy: 1.131514866820748
Energy: 1.1393286737165775

minimum gb energy = 1.1086816534346546 eV
minimum distance =  2.31736976770607 Angstroms
sigma value = 311


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

Energy: 1.2321119572257488
Energy: 1.2805725622064892
Energy: 1.2797872313659646
Energy: 1.290045607397483
Energy: 1.1690267405174222
Energy: 1.1772022093874293
Energy: 1.2967519453917404
Energy: 1.1616178511935098
Energy: 1.0975408240336115
Energy: 1.1004346931075517
Energy: 1.1012327176903887
Energy: 1.1013182931395724
Energy: 1.1016174704604051
Energy: 1.0985081901366087
Energy: 1.0970013558272582
Energy: 1.0976679310884607
Energy: 1.1013526072509565
Energy: 1.1009522416532183
Energy: 1.100321845522187
Energy: 1.100002504366504
Energy: 1.1062564223667417
Energy: 1.1534619549760754
Energy: 1.1534871390421508
Energy: 1.158271887445705
Energy: 1.178278003325916
Energy: 1.1622847104303475
Energy: 1.1623844501164498
Energy: 1.168379272773454
Energy: 1.106558071461071
Energy: 1.1067356470001835
Energy: 1.1109817150783372
Energy: 1.1110298649656005
Energy: 1.111399987649467
Energy: 1.112112282004245
Energy: 1.1124535904526753
Energy: 1.1902473243507672
Energy: 1.112608824524628
Energy: 1.1127216406887837
Energy: 1.2078873006053967
Energy: 1.2086480440012022
Energy: 1.210406553396838
Energy: 1.2077077647420942
Energy: 1.190008833661782
Energy: 1.1987885493192496
Energy: 1.2034305990159917
Energy: 1.20702355695609
Energy: 1.2068398880663593
Energy: 1.2068950377158618
Energy: 1.1913416862829154
Energy: 1.0915657440473014
Energy: 1.0970452999746043
Energy: 1.0994065070904706
Energy: 1.0993077139955905
Energy: 1.0993467535288828
Energy: 1.099817097972529
Energy: 1.0958020099201111
Energy: 1.1976488195459742
Energy: 1.1010639857597377
Energy: 1.101287945687676
Energy: 1.2067702029196379
Energy: 1.096776608239367
Energy: 1.0969662852181004
Energy: 1.0964857816048412
Energy: 1.1978197844679246
Energy: 1.1945147787936892
Energy: 1.1944068551747882
Energy: 1.2122505729475788
Energy: 1.211678012192373
Energy: 1.1938295218363857
Energy: 1.1964553180971582
Energy: 1.1059819646672473
Energy: 1.0962720822159686
Energy: 1.0971774376104908
Energy: 1.099483764506452
Energy: 1.0994857988900568
Energy: 1.0997865658778356
Energy: 1.1064422717848457
Energy: 1.2341688256657457
Energy: 1.2316872195431021
Energy: 1.1416419240536664
Energy: 1.2386436203177602
Energy: 1.1691075537089328
Energy: 1.1390258350156486
Energy: 1.2307757672221664
Energy: 1.2324187716168808
Energy: 1.2310553292051665
Energy: 1.2655955246564627
Energy: 1.2654244308134537
Energy: 1.2654880904387389
Energy: 1.268978063760848
Energy: 1.2697003291768687
Energy: 1.097188527691983
Energy: 1.0969970703562448
Energy: 1.0980395109031003
Energy: 1.0998681122278544
Energy: 1.0997043707804706
Energy: 1.1002206297555253
Energy: 1.0968976934593835
Energy: 1.0975390293038707
Energy: 1.0983812729136284
Energy: 1.1018003402064211
Energy: 1.1014898253485315
Energy: 1.1092633652523531
Energy: 1.1095141161157218
Energy: 1.1125155399391584
Energy: 1.159624198597619
Energy: 1.1598286336364794
Energy: 1.1647994894580873
Energy: 1.159654555699
Energy: 1.1625773853734707
Energy: 1.1747192217861366
Energy: 1.1631589126678041
Energy: 1.1062384702617623
Energy: 1.1138496376719562
Energy: 1.1123588946025107
Energy: 1.1125744563447466
Energy: 1.1152639479983364
Energy: 1.114330930936047
Energy: 1.1150605083727865
Energy: 1.196537521888048
Energy: 1.1989679766364296
Energy: 1.207541038768523
Energy: 1.208188847006292
Energy: 1.2083467054457793
Energy: 1.2059330367002397
Energy: 1.2057968874014888
Energy: 1.2006426287617005
Energy: 1.1986066835368854
Energy: 1.1037518717635917
Energy: 1.2044309574976453
Energy: 1.205189552159289
Energy: 1.205009437518125
Energy: 1.1934016084795827
Energy: 1.1056508091884627
Energy: 1.0964956346637018
Energy: 1.097222958336065
Energy: 1.09938800796513
Energy: 1.0994809524415496
Energy: 1.0997016704483407
Energy: 1.0976236968099882
Energy: 1.1990634193405674
Energy: 1.20282696592136
Energy: 1.1943490279925337
Energy: 1.1944350599462887
Energy: 1.2067580962471138
Energy: 1.1936864017972713
Energy: 1.1962714891840764
Energy: 1.1975316940935008
Energy: 1.2001863927146625
Energy: 1.2074536196695946
Energy: 1.2082752773441916
Energy: 1.1020306015224157
Energy: 1.1978456820406642
Energy: 1.2015600246251175
Energy: 1.105965149388041
Energy: 1.0970030286747887
Energy: 1.0996220737827593
Energy: 1.099237195856251
Energy: 1.0992337624358426
Energy: 1.0996572252530952
Energy: 1.0970075204971552
Energy: 1.233023275256806
Energy: 1.231310986125787
Energy: 1.2400587001874754
Energy: 1.1656525171158458
Energy: 1.2658690922834284
Energy: 1.2687454314055249
Energy: 1.2329895275484877
Energy: 1.2323274627559615
Energy: 1.1421438145807519
Energy: 1.168598066999886
Energy: 1.2653372101301952
Energy: 1.2651901783106407
Energy: 1.2687304058357771
Energy: 1.2455825702827947
Energy: 1.096735455617738
Energy: 1.0968832042695995
Energy: 1.097600906777808
Energy: 1.0996163257418945
Energy: 1.0993050832141786
Energy: 1.099628086835351
Energy: 1.0968310175691032
Energy: 1.1908195469131786
Energy: 1.1914127720417167
Energy: 1.202683489937427
Energy: 1.2053581137167764
Energy: 1.2052697936324137
Energy: 1.2229067329507555
Energy: 1.1983646276277724
Energy: 1.159479506465769
Energy: 1.1604668359726324
Energy: 1.1654109530175858
Energy: 1.165217654781937
Energy: 1.1919149552757282
Energy: 1.163161094893864
Energy: 1.1626100162552833
Energy: 1.0971729762963551
Energy: 1.1159367572063286
Energy: 1.1144707672366414
Energy: 1.1138943543874986
Energy: 1.1131698761991577
Energy: 1.1120188989189885
Energy: 1.1118542899974353
Energy: 1.2037118834907032
Energy: 1.2341940790906325
Energy: 1.2128697354754083
Energy: 1.2209672203555277
Energy: 1.2014166890915647
Energy: 1.2014438520366402
Energy: 1.1908427486874769
Energy: 1.1999658482412279
Energy: 1.1978381737799715
Energy: 1.1021923948889996
Energy: 1.101754601602545
Energy: 1.1016647278784137
Energy: 1.1016056900705875
Energy: 1.1997874221411178
Energy: 1.1057374381546534
Energy: 1.0969499090554489
Energy: 1.0970129752408708
Energy: 1.0997043441682117
Energy: 1.0998030584836191
Energy: 1.100255598513969
Energy: 1.1004964430488686
Energy: 1.1977297840951748
Energy: 1.1943494339019447
Energy: 1.1944537878544568
Energy: 1.1943036276299415
Energy: 1.2310225441809943
Energy: 1.2011584485311615
Energy: 1.2014270336389339
Energy: 1.2020438825062805
Energy: 1.0984963217192563
Energy: 1.1016617841735876
Energy: 1.1012186464703768
Energy: 1.100649359415529
Energy: 1.096926557142494
Energy: 1.202605304225359
Energy: 1.1063464675276982
Energy: 1.2005573824983482
Energy: 1.1011731633975332
Energy: 1.1011366312590103
Energy: 1.0967461890848178
Energy: 1.0965225330951
Energy: 1.2099976255382052
Energy: 1.2322468440899499
Energy: 1.2305254900380906
Energy: 1.2669913303939888
Energy: 1.266680186580585
Energy: 1.2662428086603574
Energy: 1.2726928620889546
Energy: 1.2604320839175671

minimum gb energy = 1.0915657440473014 eV
minimum distance =  2.25530383657994 Angstroms
sigma value = 39


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

Energy: 1.4981020013506772
Energy: 1.2659205789813714
Energy: 1.2296619421045418
Energy: 1.2766071749813066
Energy: 1.266467544256619
Energy: 1.2683363928626676
Energy: 1.2560327229023738
Energy: 1.2013135374010102
Energy: 1.1512638344310002
Energy: 1.1880122952100471
Energy: 1.2175426907346985
Energy: 1.1915462998358577
Energy: 1.146228242869333
Energy: 1.2184420841577
Energy: 1.218012748865857
Energy: 1.1579757477988737
Energy: 1.1845258735788828
Energy: 1.2175722713344934
Energy: 1.1948385056529103
Energy: 1.1592189182652965
Energy: 1.1816784970824328
Energy: 1.2129126975607176
Energy: 1.0761095560313994
Energy: 1.1804583610931045
Energy: 1.2294625878611043
Energy: 1.0781093618638757
Energy: 1.076060542814748
Energy: 1.1891942263929376
Energy: 1.1951205636828228
Energy: 1.1570553464659414
Energy: 1.1772692191226568
Energy: 1.1890066334963514
Energy: 1.1563702889388454
Energy: 1.156830806200118
Energy: 1.1891606169437754
Energy: 1.2252356477045816
Energy: 1.1479623497110891
Energy: 1.1732032344934702
Energy: 1.1725978081888104
Energy: 1.159106005476004
Energy: 1.1506175255747166
Energy: 1.1719108805903604
Energy: 1.1983452151526357
Energy: 1.143433650813617
Energy: 1.1402006699641962
Energy: 1.2427642899171458
Energy: 1.1424364200370931
Energy: 1.1395075525180642
Energy: 1.1707516517677081
Energy: 1.1990356826645499
Energy: 1.1698507835224963
Energy: 1.1538782886072851
Energy: 1.1992608462251237
Energy: 1.2174983101682213
Energy: 1.1495088054010882
Energy: 1.2443232134399511
Energy: 1.2478399093823984
Energy: 1.2525121518357214
Energy: 1.1495876837785792
Energy: 1.2493666273847146
Energy: 1.252364860698355
Energy: 1.142578102982254
Energy: 1.2503407730479683
Energy: 1.2480740499701684
Energy: 1.2526297000338713
Energy: 1.2795465021399672
Energy: 1.2739101966659474
Energy: 1.252179074259507
Energy: 1.2717700443307471
Energy: 1.2155251220757815
Energy: 1.2099661650049875
Energy: 1.1721891132599744
Energy: 1.1875017459296184
Energy: 1.23927056900893
Energy: 1.2100544954313104
Energy: 1.1315560030235723
Energy: 1.2178690142631416
Energy: 1.2341016095941362
Energy: 1.1374267953520323
Energy: 1.1868600169400616
Energy: 1.2129396388899
Energy: 1.2002115886712728
Energy: 1.1875774625000244
Energy: 1.2244163391779372
Energy: 1.2353723894010882
Energy: 1.133849061070823
Energy: 1.3418113138029715
Energy: 1.2991078593284113
Energy: 1.1336505124337872
Energy: 1.1374284883279948
Energy: 1.2639046773449543
Energy: 1.218279387733582
Energy: 1.1642849409033524
Energy: 1.1873127314391527
Energy: 1.2175265644409814
Energy: 1.1949692433318768
Energy: 1.1895614054938488
Energy: 1.2178939338147245
Energy: 1.2594321484889646
Energy: 1.2527293221407765
Energy: 1.1876036474629212
Energy: 1.2175285939508884
Energy: 1.2547038011363738
Energy: 1.1444609129037546
Energy: 1.218215466147111
Energy: 1.3076544667887602
Energy: 1.2905846412752913
Energy: 1.2252887436779085
Energy: 1.2771217305003493
Energy: 1.2661772568966962
Energy: 1.1698109659270428
Energy: 1.2571368581177738
Energy: 1.2182177978962014
Energy: 1.1500267713974042
Energy: 1.1880072830277653
Energy: 1.2177055209040388
Energy: 1.1942253496649136
Energy: 1.1462811525915144
Energy: 1.2182511417285038
Energy: 1.2179119784709473
Energy: 1.157946652568794
Energy: 1.184491971767938
Energy: 1.2177874395733896
Energy: 1.1948064670310825
Energy: 1.1598099861848872
Energy: 1.1821011941859807
Energy: 1.21242018979159
Energy: 1.0761811207339604
Energy: 1.1805448642903231
Energy: 1.2281945755822887
Energy: 1.0764608664007385
Energy: 1.0760331149068578
Energy: 1.188273483670279
Energy: 1.1850545663508145
Energy: 1.1571509796602961
Energy: 1.1773658227530877
Energy: 1.18872827604491
Energy: 1.156340140468554
Energy: 1.1568576927954353
Energy: 1.1892704825954852
Energy: 1.2257811453067653
Energy: 1.147933098394986
Energy: 1.1733183483973542
Energy: 1.1724208818439945
Energy: 1.1592156115369008
Energy: 1.1506373106684533
Energy: 1.171723676875101
Energy: 1.19846294159362
Energy: 1.1435457177479684
Energy: 1.1404727577422131
Energy: 1.2432568179193262
Energy: 1.142293183019637
Energy: 1.140442934227529
Energy: 1.170545102589147
Energy: 1.1991555746326934
Energy: 1.1700286587936746
Energy: 1.1537614719451277
Energy: 1.1990746782772286
Energy: 1.2174942110625584
Energy: 1.148667720720305
Energy: 1.2065715327419806
Energy: 1.248207381810066
Energy: 1.2525227864133768
Energy: 1.1497731259328832
Energy: 1.2493607991681803
Energy: 1.2524317815206074
Energy: 1.1425095349332435
Energy: 1.2503876251066233
Energy: 1.2480649697454103
Energy: 1.252543560469151
Energy: 1.2519805645441413
Energy: 1.273788125474635
Energy: 1.2522790640433497
Energy: 1.2719471385726355
Energy: 1.214419581221574
Energy: 1.2099714822611045
Energy: 1.1718988728491198
Energy: 1.1873649106716433
Energy: 1.2391795038550393
Energy: 1.2099178834870539
Energy: 1.1315379188320547
Energy: 1.217821088459022
Energy: 1.233806354606563
Energy: 1.1351568382627513
Energy: 1.1872354645588363
Energy: 1.2126410453876453
Energy: 1.194393547371463
Energy: 1.187652016348829
Energy: 1.2746145504669903
Energy: 1.2342558170860198
Energy: 1.1339053592412676
Energy: 1.3418779970147687
Energy: 1.3080299990266457
Energy: 1.1346015059522025
Energy: 1.1371887145785835
Energy: 1.2649107626350728
Energy: 1.2181899029315904
Energy: 1.1644733504288327
Energy: 1.187329535947793
Energy: 1.2200367840582118
Energy: 1.1949166940318154
Energy: 1.1896523388643112
Energy: 1.217774041261864
Energy: 1.259567226155216
Energy: 1.2531321617409004
Energy: 1.1875281645619202
Energy: 1.2174036281463936
Energy: 1.254375518092009
Energy: 1.145275896907764
Energy: 1.2393407983016282

minimum gb energy = 1.0760331149068578 eV
minimum distance =  2.19211091253733 Angstroms
sigma value = 21


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

Energy: 1.7017396063100885
Energy: 1.086779542921538
Energy: 1.0985887401955654
Energy: 1.147808141995656
Energy: 1.151468854712132
Energy: 1.0311505893167878
Energy: 1.1515988103484052
Energy: 1.1715897741384491
Energy: 1.0844898617126422
Energy: 1.069361179882458
Energy: 1.1369740775283366
Energy: 1.066952313442521
Energy: 1.0688466249783943
Energy: 1.2004136764146707
Energy: 1.008504195440116
Energy: 1.0678323442818678
Energy: 1.1132812555106193
Energy: 1.1271857268808418
Energy: 1.0692445010788787
Energy: 1.0694436290072744
Energy: 1.1134408277267513
Energy: 1.1769806554245588
Energy: 1.0305111324259972
Energy: 1.0495216830936938
Energy: 1.09278613630599
Energy: 1.0303423468029815
Energy: 1.0491916046262486
Energy: 1.0939342144596162
Energy: 1.0456333222853718
Energy: 1.0293791167008433
Energy: 1.1105145111309374
Energy: 1.0693254978691973
Energy: 1.0697851444618998
Energy: 1.0490850902126718
Energy: 1.0922785726454458
Energy: 1.0357722369823785
Energy: 1.0695029509025635
Energy: 1.1000610851572918
Energy: 1.068445335621655
Energy: 1.0721467694867157
Energy: 1.0697708100149301
Energy: 1.142313618707532
Energy: 0.9973780788372218
Energy: 1.03245543603009
Energy: 1.003715885183693
Energy: 1.0609737666704218
Energy: 0.9974851124967751
Energy: 1.0559952303187705
Energy: 1.003681496699112
Energy: 0.9978999722103081
Energy: 0.9973363557300364
Energy: 1.0440657309912096
Energy: 1.0126477503248468
Energy: 0.996630626292441
Energy: 1.07208985357855
Energy: 0.9854266796496505
Energy: 1.0345256900366786
Energy: 0.9965653776946339
Energy: 1.0324358378263496
Energy: 1.0331921637053427
Energy: 0.9965667704735813
Energy: 1.0551157535638744
Energy: 1.052982690300772
Energy: 0.9739014183027204
Energy: 0.9735337090201276
Energy: 1.0647980003828048
Energy: 0.9746260158422284
Energy: 0.9747616850452031
Energy: 0.9696258614455336
Energy: 1.0181175580365969
Energy: 1.0135525148633076
Energy: 1.0165162812483173
Energy: 0.974461015962648
Energy: 1.0531126312196364
Energy: 0.9746515375851287
Energy: 0.9746118489166873
Energy: 1.0506074471207867
Energy: 1.0186327545699612
Energy: 0.9741625529543663
Energy: 1.013422727817369
Energy: 1.0500254008434053
Energy: 0.9743541674809894
Energy: 1.017347791228982
Energy: 1.053782896403461
Energy: 0.9937484308276038
Energy: 0.9974714218981856
Energy: 0.9736661538093183
Energy: 0.9741163576557388
Energy: 1.0635958557710548
Energy: 0.9740476479968154
Energy: 0.9743314194825612
Energy: 1.0441533238138705
Energy: 0.9871459766914512
Energy: 0.9736212503400214
Energy: 1.0780749899601492
Energy: 0.9877319412871958
Energy: 0.9739071146735403
Energy: 0.9744359946812697
Energy: 1.0457855394919768
Energy: 1.055906241158828
Energy: 0.9968758114781042
Energy: 1.0115140937541067
Energy: 1.0724780337504773
Energy: 0.9976976363966067
Energy: 1.0123378476534142
Energy: 1.089999718443478
Energy: 1.0545510090446752
Energy: 0.9966188603168408
Energy: 1.0122141000426421
Energy: 1.0381829129302478
Energy: 0.9967127341123071
Energy: 1.0126919643784724
Energy: 1.0895164868369258
Energy: 1.054748903521455
Energy: 0.9968970613337993
Energy: 1.0844794021526893
Energy: 1.0377823574691576
Energy: 0.9969535257585012
Energy: 1.033992974060423
Energy: 1.113514340605524
Energy: 1.067696689778777
Energy: 1.070028941529186
Energy: 1.080713017167442
Energy: 1.067470157547829
Energy: 1.069614986384986
Energy: 1.1270249942952892
Energy: 1.0980461302813622
Energy: 1.0542767548586776
Energy: 1.0994605726325188
Energy: 1.092322756462988
Energy: 1.0492660891335321
Energy: 1.0291322011817008
Energy: 1.0585271892411339
Energy: 1.1134534234513749
Energy: 1.0685667127594927
Energy: 1.068451254910102
Energy: 1.0697119998776892
Energy: 1.069148758399967
Energy: 1.0669802664849495
Energy: 1.1561056937508358
Energy: 1.113672370905113
Energy: 1.0675064595859445
Energy: 1.113193012639442
Energy: 1.203010793274738
Energy: 1.0687799330478742
Energy: 1.067687142421975
Energy: 1.1118310063572974
Energy: 1.162274161545617
Energy: 1.0302957897931302
Energy: 1.191234162563025
Energy: 1.1893935496512986
Energy: 1.0317716468736018
Energy: 1.0867734095179034
Energy: 1.2122992157374615
Energy: 1.191652648045659
Energy: 1.0322732757178532
Energy: 1.0524808453040315
Energy: 1.060934839118846
Energy: 1.0317749026292937
Energy: 1.0495223592550413
Energy: 1.0520537357750843
Energy: 1.1425416524781067
Energy: 1.085297234411595
Energy: 1.1139781193770233
Energy: 1.2024420266361688
Energy: 1.069873819983142
Energy: 1.0886311045113464
Energy: 1.1202246804663873
Energy: 1.171031677691362
Energy: 1.07000544029495
Energy: 1.0468989667129736
Energy: 1.0627353684831542
Energy: 1.060790426190749
Energy: 1.084249810374634
Energy: 1.1354514764407384

minimum gb energy = 0.9696258614455336 eV
minimum distance =  2.25405955181909 Angstroms
sigma value = 113


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

Energy: 1.6952998596468067
Energy: 0.9435826372004176
Energy: 1.0139096539869739
Energy: 1.0071323689949563
Energy: 1.0070427302397738
Energy: 1.0004951240329123
Energy: 0.9363568727145459
Energy: 0.948569498165453
Energy: 0.9829655535643192
Energy: 0.9625623727368939
Energy: 0.9581145741359348
Energy: 0.9508833322816501
Energy: 0.9824623061521853
Energy: 0.9368250323607832
Energy: 0.977849778039124
Energy: 0.9959377357725436
Energy: 0.9824395717725678
Energy: 0.9581289036884
Energy: 0.9483436460248139
Energy: 0.9745507761807501
Energy: 0.9572240117457046
Energy: 0.9465387164822107
Energy: 0.9705208097842969
Energy: 0.9596506959393577
Energy: 0.9149766107722135
Energy: 0.9233421001893974
Energy: 0.9594766229505799
Energy: 0.9487760587965316
Energy: 0.903347282523674
Energy: 0.9690338789725054
Energy: 0.9479271794863419
Energy: 0.9552780765857074
Energy: 0.939873929879168
Energy: 0.9597272787704059
Energy: 0.9507036857884384
Energy: 0.9466615634270465
Energy: 0.94812487571104
Energy: 0.9454586274795987
Energy: 0.9607449994598624
Energy: 0.9464334976916757
Energy: 0.9830871176179806
Energy: 0.9560365998878056
Energy: 0.9412320626100675
Energy: 1.0482400427177228
Energy: 0.9573649540906447
Energy: 0.9113641376900892
Energy: 0.9285613277865273
Energy: 0.9816683804716826
Energy: 0.9304057665963709
Energy: 0.9410347175393409
Energy: 0.921026672173245
Energy: 0.952097939660802
Energy: 0.9112675334146523
Energy: 0.9294118163209686
Energy: 0.9818859794281598
Energy: 0.8994030635121163
Energy: 0.946904750267891
Energy: 0.9490728934454588
Energy: 0.95686832120152
Energy: 0.9485881321934889
Energy: 0.9326757883228997
Energy: 0.9192840077768687
Energy: 0.9377572238340945
Energy: 0.9030883093470734
Energy: 0.9241619468430791
Energy: 0.8893502403691773
Energy: 0.9271719779487799
Energy: 0.9294493276933506
Energy: 0.9016849786952754
Energy: 0.9193988608162061
Energy: 0.9256766205651864
Energy: 0.9244461409973938
Energy: 0.8900388572715372
Energy: 0.9152490002979166
Energy: 0.9127996814970978
Energy: 0.8997965265855354
Energy: 0.9224560612452066
Energy: 0.935589796724405
Energy: 0.9246226355951316
Energy: 0.8978607418035077
Energy: 0.9394140647532642
Energy: 0.9290818632891864
Energy: 0.907982010615306
Energy: 0.9402742871584644
Energy: 0.926344602055343
Energy: 0.9021740479243076
Energy: 0.8896023565430361
Energy: 0.8847560790664566
Energy: 0.9190100655400261
Energy: 0.8906834467693604
Energy: 0.8942065358958663
Energy: 0.9106549638104422
Energy: 0.8700158020071324
Energy: 0.8822125605626797
Energy: 0.8816820566346449
Energy: 0.8978970596494935
Energy: 0.8796927774553726
Energy: 0.8740609655488939
Energy: 0.8903357178487055
Energy: 0.9111800362397795
Energy: 0.8977562359588298
Energy: 0.8945537233910325
Energy: 0.9090642336496302
Energy: 0.8990585370798599
Energy: 0.9032019646553854
Energy: 0.8803091625185089
Energy: 0.8805075223328037
Energy: 0.875381185507797
Energy: 0.8686586763552866
Energy: 0.8788923870259393
Energy: 0.8862416563019927
Energy: 0.8519596792143436
Energy: 0.8682975759003744
Energy: 0.887151453692467
Energy: 0.8729793623887967
Energy: 0.8716330235655692
Energy: 0.8682806400342938
Energy: 0.8865055998799937
Energy: 0.8753357672058912
Energy: 0.8958608803443847
Energy: 0.8741796634222113
Energy: 0.9077857483748475
Energy: 0.8801786410954444
Energy: 0.8831108165763298
Energy: 0.9019205163925393
Energy: 0.8855783081294677
Energy: 0.8993682445808459
Energy: 0.883448894756332
Energy: 0.9040025046671242
Energy: 0.8947617319100338
Energy: 0.8824260294352598
Energy: 0.8971635000094399
Energy: 0.8985187356912369
Energy: 0.8653403600355096
Energy: 0.866305490043388
Energy: 0.8821059823985531
Energy: 0.8937702630567693
Energy: 0.8588245613671522
Energy: 0.8650179917197163
Energy: 0.8874928964007084
Energy: 0.8901520978199172
Energy: 0.8900352686516897
Energy: 0.8674571322330105
Energy: 0.908647249336948
Energy: 0.8859720614214338
Energy: 0.8674871089649665
Energy: 0.9111380016353867
Energy: 0.893529608856347
Energy: 0.8687294753596925
Energy: 0.8890504971341054
Energy: 0.9078948109562994
Energy: 0.8669631202757548
Energy: 0.8881764955611121
Energy: 0.9132148660168163
Energy: 0.8708885530883826
Energy: 0.8782419913705877
Energy: 0.8581040360750705
Energy: 0.8961877878138259
Energy: 0.8837291516534955
Energy: 0.8599009406379619
Energy: 0.8558903795239581
Energy: 0.8931097963603501
Energy: 0.8897214744333954
Energy: 0.8974551341993009
Energy: 0.8833591631771425
Energy: 0.9008715275609153
Energy: 0.8865124718843952
Energy: 0.8914020460977936
Energy: 0.8951050767524598
Energy: 0.9180773300427981
Energy: 0.8776934265145123
Energy: 0.8804324876356833
Energy: 0.9021035523545967
Energy: 0.8853487262281691
Energy: 0.8823582022472842
Energy: 0.8878258803074216
Energy: 0.8857235280042566
Energy: 0.8630222843743958
Energy: 0.848882476661754
Energy: 0.8707458106689802
Energy: 0.8884810744412363
Energy: 0.8698738312615801
Energy: 0.8880035325662892
Energy: 0.8942578003630217
Energy: 0.8752810017773381
Energy: 0.883575924233313
Energy: 0.9088232907549145
Energy: 0.8554143651573026
Energy: 0.8801653315432824
Energy: 0.9133485553939933
Energy: 0.8938719404022901
Energy: 0.9110110985576914
Energy: 0.8936516698314345
Energy: 0.8996183495431027
Energy: 0.9083731169486278
Energy: 0.8850628078462354
Energy: 0.8726252597395275
Energy: 0.8892579923515302
Energy: 0.88867188892284
Energy: 0.8785872120644597
Energy: 0.8886822133039701
Energy: 0.9057742144423157
Energy: 0.9131970741712127
Energy: 0.8900940089001806
Energy: 0.8849416169743802
Energy: 0.8863888556748003
Energy: 0.8807690909618463
Energy: 0.8887795355441682
Energy: 0.8975700619545671
Energy: 0.9141240717460454
Energy: 0.9065099501668379
Energy: 0.9086897555717396
Energy: 0.9276376556862539
Energy: 0.9349140911955228
Energy: 0.8899677065346541
Energy: 0.9305254820827814
Energy: 0.9408587566905828
Energy: 0.9117219402864104
Energy: 0.8929378205300945
Energy: 0.9077031480227328
Energy: 0.932930859315362
Energy: 0.889861045301237
Energy: 0.9271699127226016
Energy: 0.9261996211876574
Energy: 0.9293161533677464
Energy: 0.9103528192736736
Energy: 0.9320679758437852
Energy: 0.928241809834487
Energy: 0.891545002091117
Energy: 0.931026667689499
Energy: 0.9597427886472222
Energy: 0.9366605328266011
Energy: 0.9521549228677723
Energy: 0.9470724100380238
Energy: 0.9480784064999651
Energy: 0.9442972091417493
Energy: 0.9493697373730194
Energy: 0.9447777730854224
Energy: 0.9183586772647576
Energy: 0.9745375879571021
Energy: 0.9270104010136895
Energy: 0.9048319003659787
Energy: 0.9444066516329578
Energy: 0.9389508082033454
Energy: 0.9387880149432754
Energy: 0.935444218657334
Energy: 0.9745331468469943
Energy: 0.9270370781570653
Energy: 0.908963878429867
Energy: 0.9834834656900344
Energy: 0.9329878774215637
Energy: 0.9359077698080992
Energy: 0.9759509471751973
Energy: 0.9813998737224509
Energy: 0.9460579629847763
Energy: 0.9667492790101249
Energy: 0.9431660098101808
Energy: 0.9475601514016391
Energy: 0.9468027428396633
Energy: 0.9764979456424262
Energy: 0.9628004891982441
Energy: 0.9560150967641714
Energy: 0.9552562054854625
Energy: 0.9653710346325907
Energy: 0.934717381290615
Energy: 0.9275689435984192
Energy: 0.9573938537905594
Energy: 1.065335966068267
Energy: 0.9345850068434558
Energy: 0.9285459165875132
Energy: 0.9656747202151705
Energy: 0.9280078163701826
Energy: 0.9138547187502205
Energy: 0.9583711847214071
Energy: 0.9906822520422537
Energy: 0.9450032769164548
Energy: 0.95815386840911
Energy: 0.9872316145723252
Energy: 0.9986021850213138
Energy: 0.9508292770341948
Energy: 0.9790965065923355
Energy: 0.977612720023686
Energy: 0.9514073447914708
Energy: 0.9577525001239278
Energy: 0.9829639098749853
Energy: 0.9836002187498797
Energy: 0.9693986166164255
Energy: 0.921333658856336
Energy: 0.9696131488620822
Energy: 0.9921471443420572
Energy: 0.9357302049312897
Energy: 0.9250138979516347
Energy: 0.9550756183710184
Energy: 0.9915963251846088
Energy: 0.9723984338527544
Energy: 0.9925321895134404
Energy: 0.9815709441152499
Energy: 0.9577310952602989
Energy: 0.9834063246947736
Energy: 0.9757721593913616
Energy: 0.9575707343040307
Energy: 0.9604870518988265
Energy: 0.9793668005115542
Energy: 0.9909335722188165
Energy: 0.9575994222216266
Energy: 0.9865568507798939
Energy: 0.9946366438151907
Energy: 0.9382196081237641
Energy: 1.012515917435555
Energy: 0.9518279623480093
Energy: 0.934357612782101
Energy: 0.9551975403695261
Energy: 0.954633502909957
Energy: 0.9285972607731964
Energy: 0.9353599571719156

minimum gb energy = 0.848882476661754 eV
minimum distance =  2.27955728872449 Angstroms
sigma value = 365


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

Energy: 1.145438991351896
Energy: 1.039604423569197
Energy: 1.0390116662384166
Energy: 1.0408506537808093
Energy: 1.0429363712284856
Energy: 1.0395306621796339
Energy: 1.0390267577785626
Energy: 1.0744343546627713
Energy: 0.3664413811106525
Energy: 0.36911542841953027
Energy: 0.3693832077317344
Energy: 0.3695842260287967
Energy: 0.3694862852517528
Energy: 0.36885345354761345
Energy: 0.36182435345476804
Energy: 0.3675743100658935
Energy: 0.3688569145474046
Energy: 0.3691633248207801
Energy: 0.3690376411142594
Energy: 0.3691763735768032
Energy: 0.36819792739659446
Energy: 1.0701823528619399
Energy: 1.0709263631512782
Energy: 1.038028521004691
Energy: 1.0397306336111058
Energy: 1.040679886890631
Energy: 1.0384286085561578
Energy: 1.0385675261414906
Energy: 1.0741196469917405
Energy: 1.0744350122829183
Energy: 1.0765228364543158
Energy: 1.0782893610358153
Energy: 1.0404021160428714
Energy: 1.0776225316597088
Energy: 1.0742921195918698
Energy: 0.36186449763565987
Energy: 0.3669228570248182
Energy: 0.3688154489447238
Energy: 0.36909516326917347
Energy: 0.36929189193459855
Energy: 0.3689745981303736
Energy: 0.36755709389747016
Energy: 1.071520160938451
Energy: 1.0739177749604627
Energy: 1.0380838375152448
Energy: 1.0401536669832547
Energy: 1.0404690343674414
Energy: 1.0387633306855841
Energy: 1.074429551898586
Energy: 1.0724443645703816
Energy: 1.0719948354565358
Energy: 1.038193273520932
Energy: 1.0398885423886728
Energy: 1.0405397513177226
Energy: 1.0385886252294223
Energy: 1.0734511302702396
Energy: 0.3618619958520399
Energy: 0.3670410248061274
Energy: 0.36839085151500023
Energy: 0.36910999273574624
Energy: 0.36906457356622757
Energy: 0.3692459315961425
Energy: 0.36798862880852123
Energy: 1.0740023921465058
Energy: 1.0742784952364544
Energy: 1.076762930768208
Energy: 1.077987060204193
Energy: 1.0788385637333415
Energy: 1.077584041897885
Energy: 1.0752462884953835
Energy: 1.0709508686680795
Energy: 1.0707420255346305
Energy: 1.038247043221081
Energy: 1.0398271585244883
Energy: 1.0407135844416522
Energy: 1.0384873769313123
Energy: 1.0383692035329855
Energy: 0.3620152980759111
Energy: 0.36773836374024155
Energy: 0.3686650264147847
Energy: 0.3694620868562467
Energy: 0.3691554980063457
Energy: 0.3695077531542354
Energy: 0.3683683603370602
Energy: 0.36211446581549417
Energy: 0.36783138820799594
Energy: 0.3692421681628543
Energy: 0.3694427527834933
Energy: 0.3694268669095914
Energy: 0.36931172280338403
Energy: 0.3684819751007106
Energy: 1.073340149253297
Energy: 1.0741410252458923
Energy: 1.0383484191893297
Energy: 1.039714568821527
Energy: 1.0409792907033224
Energy: 1.038765922412582
Energy: 1.0389399173537306
Energy: 1.074247379524516
Energy: 1.0749269815440008
Energy: 1.0776876542125033
Energy: 0.3694793971262027
Energy: 0.37127950139632027
Energy: 0.3697150551001074
Energy: 1.075954436013175
Energy: 0.3619174495710378
Energy: 0.3668870772473234
Energy: 0.3688683400416696
Energy: 0.36943438711961807
Energy: 0.3691195480453284
Energy: 0.3690781191926255
Energy: 0.36805312663495826
Energy: 1.0711940969371934
Energy: 1.0706586793262887
Energy: 1.0379982882341448
Energy: 1.0398677909353207
Energy: 1.0405953889689414
Energy: 1.0384162911455634
Energy: 1.0387106552868033
Energy: 1.0734143531385896
Energy: 1.07427003625504
Energy: 1.0759017460839997
Energy: 1.0401146692749765
Energy: 1.0405229729769319
Energy: 1.0770699047704175
Energy: 1.0742769946364514
Energy: 0.3618264766787974
Energy: 0.36710415728268575
Energy: 0.3688626455086788
Energy: 0.369241325768392
Energy: 0.36907719179350074
Energy: 0.3688506681607857
Energy: 0.3675094432645729
Energy: 1.0720411189787253
Energy: 1.0732765657578864
Energy: 1.0748598446708848
Energy: 1.040178746877532
Energy: 1.040410022486545
Energy: 1.0390283090561139
Energy: 1.0746333404178567

minimum gb energy = 0.36182435345476804 eV
minimum distance =  2.36004872890692 Angstroms
sigma value = 23