Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000159978866
cohesive_energy=4.290337035123409
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: 0.016322768225414206
Energy: 0.15639991933018907
Energy: 0.016322768225414206
Energy: 0.15639991933018907
Energy: 0.016322768225414206
Energy: 0.1563999193298231
Energy: 0.016322768225414206
Energy: 0.016848482383267062
Energy: 0.5829828529194859
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.016624586532459153
Energy: 0.5427955034593167
Energy: 0.016624586532459153
Energy: 0.54279550346014
Energy: 0.016624586532459153
Energy: 0.5427955034593167
Energy: 0.016624586532459153
Energy: 0.01684848238367875
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.016322768225414206
Energy: 0.1563999193298231
Energy: 0.016322768225414206
Energy: 0.15639991933018907
Energy: 0.016322768225414206
Energy: 0.15639991933018907
Energy: 0.016322768225414206
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062
Energy: 0.582982852919852
Energy: 0.016848482383267062

minimum gb energy = 0.016322768225414206 eV
minimum distance =  2.46526439000664 Angstroms
sigma value = 5


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

Energy: 1.2670808591603027
Energy: 1.2401494461550184
Energy: 1.2670808591607943
Energy: 1.2401494461555103
Energy: 1.2670808591603027
Energy: 1.2401494461555103
Energy: 1.2670808591607943
Energy: 1.2127208583741935
Energy: 1.1784606728625504
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Energy: 1.1784606728620586
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Energy: 1.2127208583732099
Energy: 1.1170419636431315
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Energy: 1.1556321136743033
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Energy: 1.1139100756507991
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Energy: 1.18709176059301
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Energy: 1.1126123302901425
Energy: 1.186814859405322
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Energy: 1.1126123302896507
Energy: 1.186814859405322
Energy: 1.1126123302896507
Energy: 1.1363596853161875
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Energy: 1.2109119813144484
Energy: 1.2259985947102254
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Energy: 1.1651620060192276
Energy: 1.2005851835782544
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Energy: 1.1651620060192276
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Energy: 1.1696348138643249
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Energy: 1.2332099769225715
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Energy: 1.1953397930028395
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Energy: 1.149462145876438
Energy: 1.1100969480761333
Energy: 1.149462145875946
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Energy: 1.2075950868740186
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Energy: 1.222928165350976
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Energy: 1.1648086418442558
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Energy: 1.2202904689046454
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Energy: 1.1905573299303525
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Energy: 1.1108185602687886
Energy: 1.1089186899504246
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Energy: 1.108918689949933
Energy: 1.1108185602687886
Energy: 1.1089186899489494
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Energy: 1.1403725778505065
Energy: 1.2159815767591031
Energy: 1.1403725778505065
Energy: 1.2159815767591031
Energy: 1.1403725778500147
Energy: 1.215981576759595
Energy: 1.1696054728497178
Energy: 1.1252846361849613
Energy: 1.1696054728487342
Energy: 1.1252846361849613
Energy: 1.1696054728502094
Energy: 1.1252846361849613
Energy: 1.1696054728487342
Energy: 1.1456295185552612
Energy: 1.1832042949710846
Energy: 1.1456295185557532
Energy: 1.1832042949725599
Energy: 1.1456295185562448
Energy: 1.1832042949715762
Energy: 1.1456295185562448
Energy: 1.1406160861505354
Energy: 1.1851927158088003
Energy: 1.1406160861505354
Energy: 1.1851927158088003
Energy: 1.1406160861500438
Energy: 1.1851927158088003
Energy: 1.1406160861505354
Energy: 1.1119006180897169
Energy: 1.1606053687930697
Energy: 1.1119006180897169
Energy: 1.1606053687940534
Energy: 1.1119006180897169
Energy: 1.1606053687935618
Energy: 1.1119006180897169
Energy: 1.1102869330774432
Energy: 1.1615954347421364
Energy: 1.1102869330774432
Energy: 1.1615954347421364
Energy: 1.1102869330774432
Energy: 1.1615954347421364
Energy: 1.1102869330784266
Energy: 1.1375147745530758
Energy: 1.1768994291099726
Energy: 1.1375147745535676
Energy: 1.1768994291104646
Energy: 1.1375147745530758
Energy: 1.1768994291104646
Energy: 1.1375147745530758

minimum gb energy = 1.0984858961771031 eV
minimum distance =  2.28331190184479 Angstroms
sigma value = 401


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

Energy: 1.2572745220502983
Energy: 1.274292583286893
Energy: 1.2572745220508565
Energy: 1.2742925832874514
Energy: 1.2572745220502983
Energy: 1.274292583286893
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Energy: 1.274292583286893
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Energy: 1.2025302896856487
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Energy: 1.2039059434412693
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Energy: 1.2046721835198624
Energy: 1.2042504050105536
Energy: 1.2046721835193042
Energy: 1.2042504050099954
Energy: 1.2046721835198624
Energy: 1.2042504050105536
Energy: 1.2046721835193042
Energy: 1.2047136189564815
Energy: 1.2038436374289239
Energy: 1.2047136189564815
Energy: 1.2038436374289239
Energy: 1.2047136189564815
Energy: 1.2038436374289239
Energy: 1.2047136189564815
Energy: 1.1260846607812889
Energy: 1.2025733385194555
Energy: 1.126084660782405
Energy: 1.2025733385200137
Energy: 1.1260846607812889
Energy: 1.2025733385194555
Energy: 1.1260846607812889
Energy: 1.1261541586569244
Energy: 1.2283305347910178
Energy: 1.1261541586569244
Energy: 1.2283305347910178
Energy: 1.1261541586569244
Energy: 1.2283305347910178
Energy: 1.1261541586574828
Energy: 1.1529863675826237
Energy: 1.16179039531888
Energy: 1.152986367583182
Energy: 1.1617903953177635
Energy: 1.1529863675837402
Energy: 1.1617903953177635
Energy: 1.152986367583182
Energy: 1.154295019306544
Energy: 1.1744170862102299
Energy: 1.154295019306544
Energy: 1.1744170862102299
Energy: 1.154295019306544
Energy: 1.174417086210788
Energy: 1.154295019306544
Energy: 1.264442197099735
Energy: 1.2159197202441665
Energy: 1.2644421970980604
Energy: 1.2159197202441665
Energy: 1.2644421970991768
Energy: 1.2159197202441665
Energy: 1.2644421970991768
Energy: 1.113635558646476
Energy: 1.173368715895484
Energy: 1.113635558647034
Energy: 1.1733687158949258
Energy: 1.113635558646476
Energy: 1.173368715895484
Energy: 1.113635558646476

minimum gb energy = 1.113635558646476 eV
minimum distance =  2.29870194822676 Angstroms
sigma value = 311


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

Energy: 1.1901212081366508
Energy: 1.2193676395757247
Energy: 1.1901212081366508
Energy: 1.2193676395757247
Energy: 1.1901212081366508
Energy: 1.2193676395757247
Energy: 1.1901212081366508
Energy: 1.1779306128014473
Energy: 1.1330469142025361
Energy: 1.1779306137749568
Energy: 1.1330469142031807
Energy: 1.1779306128471825
Energy: 1.1330469142025361
Energy: 1.1779306128020919
Energy: 1.0931793829864562
Energy: 1.0977339146386291
Energy: 1.0931793829858116
Energy: 1.097733914639274
Energy: 1.0931793829864562
Energy: 1.097733914639274
Energy: 1.0931793829858116
Energy: 1.230424611522178
Energy: 1.203886848094996
Energy: 1.230424611522178
Energy: 1.203886848094996
Energy: 1.230424611522178
Energy: 1.203886848094996
Energy: 1.2304246115228226
Energy: 1.2299886455861866
Energy: 1.2300886353302318
Energy: 1.2299886455861866
Energy: 1.2300886353308764
Energy: 1.2299886455861866
Energy: 1.2300886353302318
Energy: 1.2299886455861866
Energy: 1.0880738759119226
Energy: 1.197719257260343
Energy: 1.0880738759125672
Energy: 1.197719257260343
Energy: 1.088073875911278
Energy: 1.197719257260343
Energy: 1.0880738759119226
Energy: 1.1067133148755728
Energy: 1.1733259619007077
Energy: 1.1067133148755728
Energy: 1.1733259619007077
Energy: 1.1067133148762172
Energy: 1.1733259619007077
Energy: 1.1067133148762172
Energy: 1.2308218323829576
Energy: 1.2002634392924625
Energy: 1.2308218323829576
Energy: 1.2002634392924625
Energy: 1.2308218323829576
Energy: 1.2002634392924625
Energy: 1.2308218323829576
Energy: 1.2304997297031675
Energy: 1.200454019007435
Energy: 1.230499729703812
Energy: 1.200454019007435
Energy: 1.2304997297031675
Energy: 1.200454019007435
Energy: 1.2304997297025229
Energy: 1.082121633590727
Energy: 1.172964087968656
Energy: 1.0821216335900825
Energy: 1.172964087968656
Energy: 1.0821216335900825
Energy: 1.172964087968656
Energy: 1.082121633589438
Energy: 1.0882225295223766
Energy: 1.1971015828884408
Energy: 1.0882225295217323
Energy: 1.1971015828890854
Energy: 1.0882225295223766
Energy: 1.1971015828884408
Energy: 1.0882225295223766
Energy: 1.2302953349235857
Energy: 1.2087582357130622
Energy: 1.2302953349242303
Energy: 1.2087582357130622
Energy: 1.2302953349235857
Energy: 1.2087582357130622
Energy: 1.2302953349235857
Energy: 1.208097277666775
Energy: 1.2032356647197997
Energy: 1.208097277666775
Energy: 1.2032356647197997
Energy: 1.208097277666775
Energy: 1.2032356647197997
Energy: 1.2080972776661307
Energy: 1.0823203533316141
Energy: 1.089682284762605
Energy: 1.0823203533309695
Energy: 1.089682284762605
Energy: 1.0823203533309695
Energy: 1.089682284762605
Energy: 1.0823203533309695
Energy: 1.184800790461502
Energy: 1.2595394827957254
Energy: 1.184800790461502
Energy: 1.2595394828002373
Energy: 1.184800790461502
Energy: 1.2595394827970143
Energy: 1.184800790461502
Energy: 1.178470348760417
Energy: 1.2050171435505128
Energy: 1.1784703487597725
Energy: 1.2050171435505128
Energy: 1.1784703487597725
Energy: 1.2050171435505128
Energy: 1.1784703487597725
Energy: 1.140527408071916
Energy: 1.1320153601893295
Energy: 1.140527408071916
Energy: 1.1320153601893295
Energy: 1.140527408071916
Energy: 1.1320153601893295
Energy: 1.140527408071916
Energy: 1.094015852268593
Energy: 1.0989135837272304
Energy: 1.0940158522679484
Energy: 1.0989135837272304
Energy: 1.0940158522679484
Energy: 1.098913583727875
Energy: 1.094015852268593
Energy: 1.2459542067109843
Energy: 1.2443471047135068
Energy: 1.2459542067109843
Energy: 1.2443471047135068
Energy: 1.2005159818026683
Energy: 1.2443471047135068
Energy: 1.165091263375749
Energy: 1.2308261710236772
Energy: 1.244478476085484
Energy: 1.2308261710236772
Energy: 1.2444784760861285
Energy: 1.2308261710236772
Energy: 1.2444784760848393
Energy: 1.2308261710236772
Energy: 1.0880079944147625
Energy: 1.0999244704210478
Energy: 1.0880079944147625
Energy: 1.0999244704204032
Energy: 1.0880079944147625
Energy: 1.0999244704204032
Energy: 1.0880079944147625
Energy: 1.1043765655539994
Energy: 1.1862600766503824
Energy: 1.1043765655539994
Energy: 1.1862600766503824
Energy: 1.1043765655539994
Energy: 1.1862600766503824
Energy: 1.1043765655539994
Energy: 1.1963605924467564
Energy: 1.2063001385949303
Energy: 1.246393050896096
Energy: 1.2063001385949303
Energy: 1.246393050896096
Energy: 1.2063001385949303
Energy: 1.2463930508954515
Energy: 1.21135908104655
Energy: 1.2511755111026475
Energy: 1.2113590810471946
Energy: 1.2511755110916896
Energy: 1.2113590810471946
Energy: 1.251175511103292
Energy: 1.2113590810471946
Energy: 1.0817813258424693
Energy: 1.0899824800052607
Energy: 1.0817813258424693
Energy: 1.0899824800059053
Energy: 1.081781325841825
Energy: 1.0899824800059053
Energy: 1.081781325841825
Energy: 1.1852041308754133
Energy: 1.1973636904575804
Energy: 1.1852041308754133
Energy: 1.1973636904575804
Energy: 1.1852041308754133
Energy: 1.1973636904575804
Energy: 1.1852041308754133
Energy: 1.153059970953998
Energy: 1.2072764238724876
Energy: 1.212444028395642
Energy: 1.2072764238724876
Energy: 1.1838817176055423
Energy: 1.2072764238724876
Energy: 1.240565160686065
Energy: 1.185221043989383
Energy: 1.1973595664640662
Energy: 1.1852210439887383
Energy: 1.1973595664647105
Energy: 1.185221043989383
Energy: 1.1973595664640662
Energy: 1.185221043989383
Energy: 1.0817845518187814
Energy: 1.0899866980755344
Energy: 1.0817845518181368
Energy: 1.0899866980748898
Energy: 1.0817845518174924
Energy: 1.0899866980748898
Energy: 1.0817845518181368
Energy: 1.2115085825306868
Energy: 1.2511651478070633
Energy: 1.2115085825306868
Energy: 1.2511651477999728
Energy: 1.2115085825300422
Energy: 1.2511651478070633
Energy: 1.2115085825306868
Energy: 1.188757225612966
Energy: 1.2062862711099076
Energy: 1.2368828476966496
Energy: 1.2062862711099076
Energy: 1.206135264322764
Energy: 1.2062862711099076
Energy: 1.206135264322764
Energy: 1.1043762807034465
Energy: 1.1862550687553342
Energy: 1.104376280704091
Energy: 1.1862550687553342
Energy: 1.104376280704091
Energy: 1.1862550687553342
Energy: 1.104376280704091
Energy: 1.0880133070411175
Energy: 1.0999141295253825
Energy: 1.0880133070411175
Energy: 1.0999141295253825
Energy: 1.0880133070417621
Energy: 1.0999141295253825
Energy: 1.0880133070417621
Energy: 1.2308269471315978
Energy: 1.2449958459975181
Energy: 1.2308269471309532
Energy: 1.2449958459975181
Energy: 1.2308269471309532
Energy: 1.2449958459975181
Energy: 1.2308269471309532
Energy: 1.2790323714769751
Energy: 1.2443437922913825
Energy: 1.2461844678421896
Energy: 1.2443437922907379
Energy: 1.304585256356657
Energy: 1.2443437922913825
Energy: 1.2626744016277045
Energy: 1.094025370783036
Energy: 1.0989246804196928
Energy: 1.094025370783036
Energy: 1.0989246804190482
Energy: 1.094025370783036
Energy: 1.0989246804196928
Energy: 1.094025370783036

minimum gb energy = 1.081781325841825 eV
minimum distance =  2.30437065045028 Angstroms
sigma value = 39


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

Energy: 1.170925848634637
Energy: 1.2093339260139049
Energy: 1.170925848634637
Energy: 1.2093339260139049
Energy: 1.1709258486353977
Energy: 1.2093339260139049
Energy: 1.170925848634637
Energy: 1.2048757895059286
Energy: 1.0773280591265726
Energy: 1.2048757895059286
Energy: 1.0773280591265726
Energy: 1.2048757895059286
Energy: 1.0773280591265726
Energy: 1.2048757895059286
Energy: 1.1412046644326288
Energy: 1.1046468283653166
Energy: 1.1412046644326288
Energy: 1.1046468283653166
Energy: 1.1412046644326288
Energy: 1.1046468283653166
Energy: 1.1412046644326288
Energy: 1.2276945653725495
Energy: 1.0770385653224717
Energy: 1.2276945653725495
Energy: 1.0770385653224717
Energy: 1.2276945653725495
Energy: 1.0770385653217107
Energy: 1.2276945653725495
Energy: 1.198550972915684
Energy: 1.0786560951441506
Energy: 1.198550972915684
Energy: 1.0786560951441506
Energy: 1.198550972915684
Energy: 1.0786560951441506
Energy: 1.198550972915684
Energy: 1.2231321164573292
Energy: 1.1269100264058725
Energy: 1.2231321164573292
Energy: 1.1269100264058725
Energy: 1.2231321164573292
Energy: 1.1269100264058725
Energy: 1.2231321164573292
Energy: 1.1534055230826183
Energy: 1.1275983750395553
Energy: 1.1534055230826183
Energy: 1.127598375040316
Energy: 1.2853584992277767
Energy: 1.127598375040316
Energy: 1.26191898164975
Energy: 1.2015447581919623
Energy: 1.1360813429101504
Energy: 1.2015447581919623
Energy: 1.1360813429109113
Energy: 1.2015447581919623
Energy: 1.1360813429101504
Energy: 1.2015447581919623
Energy: 1.22703977285769
Energy: 1.1370163029042721
Energy: 1.2270397728592115
Energy: 1.1370163029042721
Energy: 1.2270397728584508
Energy: 1.1370163029042721
Energy: 1.2270397728592115
Energy: 1.1425901455465624
Energy: 1.187497153951349
Energy: 1.1425901455465624
Energy: 1.187497153951349
Energy: 1.1425901455465624
Energy: 1.187497153951349
Energy: 1.1425901455465624
Energy: 1.2185810193122806
Energy: 1.1728701089279943
Energy: 1.2214783082185103
Energy: 1.1728701089279943
Energy: 1.2037252455607201
Energy: 1.1728701089279943
Energy: 1.2037252455607201
Energy: 1.1421597713324765
Energy: 1.0774890851952552
Energy: 1.1421597713332374
Energy: 1.0774890851952552
Energy: 1.1421597713332374
Energy: 1.0774890851952552
Energy: 1.1421597713332374
Energy: 1.0829324863423144
Energy: 1.0933429879723473
Energy: 1.0829324863423144
Energy: 1.093342987973108
Energy: 1.0829324863423144
Energy: 1.0933429879723473
Energy: 1.0829324863423144
Energy: 1.1431962139942162
Energy: 1.0775713275096503
Energy: 1.1431962139942162
Energy: 1.0775713275088896
Energy: 1.1431962139942162
Energy: 1.0775713275096503
Energy: 1.1431962139942162
Energy: 1.1897913278932017
Energy: 1.146591390549462
Energy: 1.1897913278932017
Energy: 1.146591390549462
Energy: 1.2675331155515175
Energy: 1.146591390549462
Energy: 1.2347166303413866
Energy: 1.1432817440289742
Energy: 1.1273635414760341
Energy: 1.1432817440289742
Energy: 1.1273635414760341
Energy: 1.1432817440289742
Energy: 1.1273635414760341
Energy: 1.1432817440289742
Energy: 1.2319819311655598
Energy: 1.136504290848795
Energy: 1.2319819311647993
Energy: 1.136504290848795
Energy: 1.2319819311655598
Energy: 1.136504290848795
Energy: 1.2319819311663205
Energy: 1.1978202166228011
Energy: 1.136144958472729
Energy: 1.1978202166228011
Energy: 1.136144958472729
Energy: 1.1978202166228011
Energy: 1.136144958472729
Energy: 1.1978202166220404
Energy: 1.1535697710263362
Energy: 1.1587073309222176
Energy: 1.1535697710309005
Energy: 1.1587073309222176
Energy: 1.1535697710270971
Energy: 1.1587073309222176
Energy: 1.1535697710263362
Energy: 1.1427989502987337
Energy: 1.1862156952803575
Energy: 1.1427989502987337
Energy: 1.186215695279597
Energy: 1.1427989502987337
Energy: 1.1862156952803575
Energy: 1.1427989502987337
Energy: 1.1986067956087023
Energy: 1.0781058119817133
Energy: 1.1986067956079416
Energy: 1.0781058119817133
Energy: 1.1986067956079416
Energy: 1.0781058119817133
Energy: 1.1986067956079416
Energy: 1.1417588933072196
Energy: 1.0770894092854977
Energy: 1.1417588933072196
Energy: 1.0770894092854977
Energy: 1.1417588933072196
Energy: 1.0770894092854977
Energy: 1.1417588933072196
Energy: 1.2070210564620756
Energy: 1.1082251120894406
Energy: 1.207021056461315
Energy: 1.1082251120894406
Energy: 1.2070210564620756
Energy: 1.1082251120894406
Energy: 1.207021056461315
Energy: 1.2018398817572895
Energy: 1.0769381612918136
Energy: 1.2018398817572895
Energy: 1.0769381612918136
Energy: 1.2018398817572895
Energy: 1.0769381612918136
Energy: 1.2018398817572895
Energy: 1.2234845387422366
Energy: 1.1289166953388328
Energy: 1.2234845387422366
Energy: 1.1289166953388328
Energy: 1.2234845387422366
Energy: 1.1289166953388328
Energy: 1.2234845387422366
Energy: 1.2051006720089212
Energy: 1.1278647985259644
Energy: 1.2051006720089212
Energy: 1.1278647985259644
Energy: 1.2051006720089212
Energy: 1.1278647985259644
Energy: 1.2051006720089212
Energy: 1.1967277787760136
Energy: 1.159795352147292
Energy: 1.1967277787760136
Energy: 1.1597953521480526
Energy: 1.1967277787760136
Energy: 1.1597953521480526
Energy: 1.1967277787760136
Energy: 1.2052031193085904
Energy: 1.1378474051763772
Energy: 1.2052031193085904
Energy: 1.1378474051763772
Energy: 1.2052031193085904
Energy: 1.137847405177138
Energy: 1.2052031193085904
Energy: 1.1709258486353977
Energy: 1.2093339260139049
Energy: 1.1709258486353977
Energy: 1.2093339260131442
Energy: 1.1709258486353977
Energy: 1.2093339260131442
Energy: 1.1709258486353977
Energy: 1.2048757895059286
Energy: 1.0773280591265726
Energy: 1.2048757895059286
Energy: 1.0773280591265726
Energy: 1.2048757895059286
Energy: 1.0773280591265726
Energy: 1.2048757895059286

minimum gb energy = 1.0769381612918136 eV
minimum distance =  2.2610559777818 Angstroms
sigma value = 21


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

Energy: 1.122783270136606
Energy: 1.1075694101415317
Energy: 1.122783270136606
Energy: 1.1075694101415317
Energy: 1.122783270136606
Energy: 1.1075694101415317
Energy: 1.122783270136606
Energy: 1.087947072175245
Energy: 1.0488119129807814
Energy: 1.087947072175245
Energy: 1.0488119129807814
Energy: 1.087947072175245
Energy: 1.0488119129807814
Energy: 1.087947072175245
Energy: 1.0920919775093048
Energy: 1.074542718690556
Energy: 1.0920919775083813
Energy: 1.074542718690556
Energy: 1.0920919775093048
Energy: 1.074542718690556
Energy: 1.0920919775093048
Energy: 1.0215379367137127
Energy: 1.075411497158274
Energy: 1.0215379367137127
Energy: 1.075411497158274
Energy: 1.0215379367137127
Energy: 1.0754114971591975
Energy: 1.0215379367137127
Energy: 0.9963740915100145
Energy: 1.0198289272163987
Energy: 0.9963740915100145
Energy: 1.0198289272163987
Energy: 0.9963740915109383
Energy: 1.0198289272163987
Energy: 0.9963740915100145
Energy: 1.0041034280328216
Energy: 1.0766611812343743
Energy: 1.0041034280328216
Energy: 1.0766611812343743
Energy: 1.0041034280328216
Energy: 1.0766611812343743
Energy: 1.0041034280328216
Energy: 0.9514334491492193
Energy: 0.9946748029967379
Energy: 0.9514334491492193
Energy: 0.9946748030105901
Energy: 0.9514334491492193
Energy: 0.9946748029847327
Energy: 0.9514334491492193
Energy: 0.9731082740107705
Energy: 1.050497201034082
Energy: 0.9731082740107705
Energy: 1.0504972010350058
Energy: 0.9731082740107705
Energy: 1.0504972010350058
Energy: 0.9731082740107705
Energy: 1.021708881818154
Energy: 1.0044422747255655
Energy: 1.021708881818154
Energy: 1.0044422747255655
Energy: 1.021708881818154
Energy: 1.0044422747255655
Energy: 1.021708881818154
Energy: 1.0216473039007195
Energy: 1.0353530114541216
Energy: 1.0216473039007195
Energy: 1.0353530114541216
Energy: 1.0216473039007195
Energy: 1.0353530114531984
Energy: 1.0216473039007195
Energy: 0.9515779316713833
Energy: 1.050423094253685
Energy: 0.9515779316713833
Energy: 1.050423094253685
Energy: 0.9515779316713833
Energy: 1.050423094253685
Energy: 0.9515779316713833
Energy: 0.9728035860974796
Energy: 1.0597928963781333
Energy: 0.972803586096556
Energy: 1.0597928963781333
Energy: 0.972803586096556
Energy: 1.0597928963781333
Energy: 0.972803586096556
Energy: 1.0218854833798872
Energy: 1.0043441652120486
Energy: 1.0218854833798872
Energy: 1.0043441652120486
Energy: 1.0218854833798872
Energy: 1.0043441652120486
Energy: 1.0218854833798872
Energy: 1.0453279440968215
Energy: 1.035062013305489
Energy: 1.0453279440968215
Energy: 1.035062013305489
Energy: 1.0453279440968215
Energy: 1.035062013307336
Energy: 1.0453279440968215
Energy: 1.0743623348564306
Energy: 1.05022390234469
Energy: 1.0743623348564306
Energy: 1.0502239023456135
Energy: 1.0743623348564306
Energy: 1.0502239023456135
Energy: 1.0743623348564306
Energy: 1.0790856150291408
Energy: 1.0226560440604402
Energy: 1.079085615030064
Energy: 1.0226560440604402
Energy: 1.0790856150291408
Energy: 1.0226560440604402
Energy: 1.0790856150291408
Energy: 1.0875557052491422
Energy: 1.0357445782284713
Energy: 1.0875557052491422
Energy: 1.0357445782293948
Energy: 1.0875557052491422
Energy: 1.0357445782284713
Energy: 1.0875557052482188
Energy: 1.0458803848923102
Energy: 1.0351715829890298
Energy: 1.0458803848923102
Energy: 1.035171582988106
Energy: 1.0458803848923102
Energy: 1.0351715829908765
Energy: 1.0458803848923102
Energy: 0.9894235236138311
Energy: 1.0505677003610179
Energy: 0.9894235236129076
Energy: 1.0505677003600944
Energy: 0.9894235236119843
Energy: 1.0505677003600944
Energy: 0.9894235236138311
Energy: 0.9725730449500941
Energy: 1.0070695356108692
Energy: 0.9725730449500941
Energy: 1.0070695356108692
Energy: 0.9725730449500941
Energy: 1.0070695356108692
Energy: 0.9725730449500941
Energy: 1.0218564112081403
Energy: 1.0462252157212921
Energy: 1.0218564112090638
Energy: 1.0462252157212921
Energy: 1.0218564112090638
Energy: 1.0462252157212921
Energy: 1.0218564112090638
Energy: 0.9518628830212235
Energy: 1.2163407837968452
Energy: 0.9518628830212235
Energy: 1.2163407837968452
Energy: 0.9518628830212235
Energy: 1.2163407837968452
Energy: 0.9518628830212235
Energy: 0.9510097183220968
Energy: 1.0505058173229336
Energy: 0.9510097183220968
Energy: 1.0505058173229336
Energy: 0.9510097183230202
Energy: 1.0505058173229336
Energy: 0.9510097183267143
Energy: 1.0211353138282457
Energy: 1.007034283418652
Energy: 1.0211353138282457
Energy: 1.007034283418652
Energy: 1.0211353138282457
Energy: 1.007034283418652
Energy: 1.0211353138282457
Energy: 1.0220588943214317
Energy: 0.9854553955724548
Energy: 1.0220588943214317
Energy: 0.9854553955724548
Energy: 1.0220588943214317
Energy: 0.9854553955715314
Energy: 1.0220588943214317

minimum gb energy = 0.9510097183220968 eV
minimum distance =  2.31162980004509 Angstroms
sigma value = 113


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

Energy: 0.9683350895849483
Energy: 0.9704918125061466
Energy: 0.9683350895854638
Energy: 0.970491812504132
Energy: 0.96833508958701
Energy: 0.9704918125046005
Energy: 0.9683350895864945
Energy: 0.9704893959549925
Energy: 0.9248554461783928
Energy: 0.9704893959539618
Energy: 0.9248554461788613
Energy: 0.970489395954477
Energy: 0.9248554461788613
Energy: 0.9704893959555078
Energy: 0.9731744963221443
Energy: 0.9540405103601757
Energy: 0.9731744963226596
Energy: 0.9540405103591449
Energy: 0.9731744963221443
Energy: 0.9540405103586295
Energy: 0.9731744963211134
Energy: 0.9325177515788245
Energy: 0.9247163114571457
Energy: 0.9325177515788245
Energy: 0.9247163114566302
Energy: 0.9325177515788245
Energy: 0.9247163114566302
Energy: 0.9325177515788245
Energy: 0.904859741019984
Energy: 1.0504611607735403
Energy: 0.9048597410189533
Energy: 1.0504611607740557
Energy: 0.9048597410194686
Energy: 1.0504611607735403
Energy: 0.9048597410194686
Energy: 0.9202054437648333
Energy: 0.9358880043774983
Energy: 0.920205443765864
Energy: 0.9358880043769829
Energy: 0.9202054437648333
Energy: 0.9358880043774983
Energy: 0.9202054437653485
Energy: 0.9128759157912077
Energy: 0.9234072707648562
Energy: 0.9128759157912077
Energy: 0.9234072707653717
Energy: 0.9128759157906924
Energy: 0.9234072707664024
Energy: 0.9128759157912077
Energy: 0.9239200887793874
Energy: 0.895435348945738
Energy: 0.923920088779903
Energy: 0.895435348945738
Energy: 0.923920088779903
Energy: 0.8954353489447071
Energy: 0.923920088779903
Energy: 0.8911994107929296
Energy: 1.0000057836560081
Energy: 0.8911994109340539
Energy: 1.0000057836575544
Energy: 0.8911994104802262
Energy: 1.0000057836560081
Energy: 0.891199410452395
Energy: 0.9327200051028459
Energy: 0.8987078105564814
Energy: 0.9327200051028459
Energy: 0.8987078105564814
Energy: 0.9327200051028459
Energy: 0.8987078105564814
Energy: 0.9327200051023306
Energy: 0.8856776068246184
Energy: 0.8850530910659228
Energy: 0.8856776068241029
Energy: 0.8850530910664383
Energy: 0.8856776068246184
Energy: 0.885053091067469
Energy: 0.8856776068251336
Energy: 0.9098449476365881
Energy: 0.9043922054347118
Energy: 0.9098449476360725
Energy: 0.9043922054352271
Energy: 0.9098449476365881
Energy: 0.9043922054341963
Energy: 0.9098449476360725
Energy: 0.8428537510615047
Energy: 1.107835030624569
Energy: 0.8428537510615047
Energy: 1.107835030624569
Energy: 0.8428537510615047
Energy: 1.107835030624569
Energy: 0.8428537510620201
Energy: 0.8980650424598656
Energy: 0.8996028427735826
Energy: 0.8980650424598656
Energy: 0.8996028427725519
Energy: 0.898065042460381
Energy: 0.8996028427730671
Energy: 0.8980650424598656
Energy: 0.8991706378158024
Energy: 0.8670459441546303
Energy: 0.8991706378168332
Energy: 0.8670459441566918
Energy: 0.8991706378163177
Energy: 0.8670459441592687
Energy: 0.8991706378163177
Energy: 0.8955496446811603
Energy: 1.0648629474872096
Energy: 0.895549644680645
Energy: 1.0648629474872096
Energy: 0.8955496446811603
Energy: 1.0648629474872096
Energy: 0.8955496446811603
Energy: 0.8423040403264502
Energy: 0.8913030866163797
Energy: 0.8423040403254194
Energy: 0.8913030866168952
Energy: 0.8423040403254194
Energy: 0.8913030866168952
Energy: 0.842304040325935
Energy: 0.9021815877346983
Energy: 0.9051651207333872
Energy: 0.9021815877346983
Energy: 0.9051651207339024
Energy: 0.9021815877346983
Energy: 0.9051651207333872
Energy: 0.9021815877341828
Energy: 0.9036408945773472
Energy: 0.8672152121982121
Energy: 0.9036408945773472
Energy: 0.8672152121992428
Energy: 0.9036408945763165
Energy: 0.8672152121976966
Energy: 0.9036408945763165
Energy: 0.9001159303733393
Energy: 0.8813011500845306
Energy: 0.9001159303738546
Energy: 0.8813011500628841
Energy: 0.9001159303733393
Energy: 0.8813011501180313
Energy: 0.9001159303733393
Energy: 0.9054539408498579
Energy: 0.8816473428832297
Energy: 0.9054539408488271
Energy: 0.8816473428832297
Energy: 0.9054539408493424
Energy: 0.8816473428842604
Energy: 0.9054539408503264
Energy: 0.916596964879649
Energy: 0.8650326348419588
Energy: 0.9165969648806798
Energy: 0.8650326348394286
Energy: 0.9165969648806798
Energy: 0.8650326348394286
Energy: 0.916596964879649
Energy: 0.904539307074368
Energy: 0.883828113385494
Energy: 0.904539307074368
Energy: 0.8838281133849786
Energy: 0.904539307074368
Energy: 0.8838281133849786
Energy: 0.904539307074368
Energy: 0.8978773466370676
Energy: 0.9397614857285431
Energy: 0.8978773466355214
Energy: 0.9397614857290586
Energy: 0.8978773466365524
Energy: 0.9397614857280275
Energy: 0.8978773466370676
Energy: 0.8948022827143473
Energy: 0.9203000094239389
Energy: 0.8948022827143473
Energy: 0.9203000094260003
Energy: 0.894802282713832
Energy: 0.9203000094244541
Energy: 0.8948022827143473
Energy: 0.9682835324954848
Energy: 0.9247067366548922
Energy: 0.968283532494454
Energy: 0.9247067366543767
Energy: 0.9682835324960002
Energy: 0.9247067366543767
Energy: 0.9682835324954848
Energy: 0.9702482734000091
Energy: 0.9171932609046229
Energy: 0.9702482733994935
Energy: 0.9171932609056537
Energy: 0.9702482733989782
Energy: 0.9171932609035922
Energy: 0.9702482733994935
Energy: 0.9406468254147151
Energy: 0.9192739367938716
Energy: 0.9406468254172922
Energy: 0.9192739367959332
Energy: 0.940646825415746
Energy: 0.9192739367974794
Energy: 0.9406468254152306
Energy: 0.9489114797577893
Energy: 0.9361526064282896
Energy: 0.9489114797588201
Energy: 0.9361526064267434
Energy: 0.948911479757274
Energy: 0.9361526064272588
Energy: 0.948911479757274
Energy: 0.9560812658114755
Energy: 0.9247456242391388
Energy: 0.9560812658119908
Energy: 0.9247456242412002
Energy: 0.9560812658094138
Energy: 0.9247456242406848
Energy: 0.9560812658078677
Energy: 0.9080494456109661
Energy: 0.9203570900508051
Energy: 0.9080494456114814
Energy: 0.9203570900502897
Energy: 0.9080494456104505
Energy: 0.9203570900492589
Energy: 0.9080494456109661
Energy: 0.8899655441599773
Energy: 1.1149430895447145
Energy: 0.8899655441589466
Energy: 1.1149430895447145
Energy: 0.8899655441589466
Energy: 1.1149430895457455
Energy: 0.8899655441604928
Energy: 0.8950173259689689
Energy: 0.9344412427381525
Energy: 0.8950173259694842
Energy: 0.9344412427376372
Energy: 0.8950173259694842
Energy: 0.9344412427381525
Energy: 0.8950173259694842
Energy: 0.899498666817806
Energy: 0.8645875713874959
Energy: 0.8994986668183212
Energy: 0.8645875713854342
Energy: 0.8994986668183212
Energy: 0.8645875713859497
Energy: 0.8994986668172905
Energy: 0.9150051163119025
Energy: 0.8954219974896039
Energy: 0.9150051163119025
Energy: 0.8954219974890886
Energy: 0.9150051163108718
Energy: 0.8954219974921809
Energy: 0.9150051163124178
Energy: 0.8741004103439174
Energy: 1.0692421287954637
Energy: 0.8741004103423713
Energy: 1.0692421287954637
Energy: 0.8741004103439174
Energy: 1.0692421287954637
Energy: 0.874100410344948
Energy: 0.9052772147394373
Energy: 0.8980592072168709
Energy: 0.9052772147384067
Energy: 0.8980592072173862
Energy: 0.905277214738922
Energy: 0.8980592072173862
Energy: 0.905277214738922
Energy: 0.8867220478077845
Energy: 0.8759323071692436
Energy: 0.8867220478077845
Energy: 0.8759323071707898
Energy: 0.8867220478072692
Energy: 0.8759323071702745
Energy: 0.8867220478072692
Energy: 0.9070288626586194
Energy: 0.8526526496675098
Energy: 0.9070288626586194
Energy: 0.8526526497927036
Energy: 0.9070288626586194
Energy: 0.8526526496943103
Energy: 0.9070288626586194
Energy: 0.8545492202583099
Energy: 1.1210092457237306
Energy: 0.8545492202583099
Energy: 1.1210092457237306
Energy: 0.8545492202577945
Energy: 1.1210092457237306
Energy: 0.8545492202583099
Energy: 0.9012180393216319
Energy: 0.8978195236724266
Energy: 0.9012180393216319
Energy: 0.897819523672942
Energy: 0.9012180393216319
Energy: 0.8978195236724266
Energy: 0.9012180393216319
Energy: 0.9018867786546911
Energy: 0.8695736248000983
Energy: 0.9018867786541758
Energy: 0.8695736247980367
Energy: 0.9018867786552066
Energy: 0.8695736247980367
Energy: 0.9018867786546911
Energy: 0.8982745982165542
Energy: 0.9690098513776862
Energy: 0.8982745982165542
Energy: 0.9690098513797478
Energy: 0.8982745982165542
Energy: 0.96900985137614
Energy: 0.8982745982165542
Energy: 0.854531341828009
Energy: 0.8809598661892064
Energy: 0.8545313418274935
Energy: 0.8809598661892064
Energy: 0.8545313418274935
Energy: 0.8809598661897218
Energy: 0.8545313418274935
Energy: 0.9002572435259122
Energy: 0.9083796542318564
Energy: 0.9002572435259122
Energy: 0.9083796542323719
Energy: 0.9002572435259122
Energy: 0.9083796542323719
Energy: 0.9002572435259122

minimum gb energy = 0.8423040403254194 eV
minimum distance =  2.28276134050093 Angstroms
sigma value = 365


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

Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.990600052297889
Energy: 1.0500185251838503
Energy: 1.87582745090024
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.87582745090024
Energy: 1.0500185251838503
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.87582745090024
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251838503
Energy: 1.87582745090024
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 0.32981500489705246
Energy: 0.32140893008899124
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021
Energy: 1.0500185251850123
Energy: 1.8758274509014021

minimum gb energy = 0.32140893008899124 eV
minimum distance =  2.28708726849127 Angstroms
sigma value = 23