Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.01508118541834965
Energy: 0.015615874747177676
Energy: 0.015356146205185033
Energy: 1.4334534956627254
Energy: 0.015356146204947347
Energy: 0.015615874746728714
Energy: 0.01508118541834965
Energy: 0.0156158747469664
Energy: 0.015356146205185033
Energy: 1.4334534956629632
Energy: 0.6997168849908061
Energy: 0.016018555266132415
Energy: 0.017252300072419378
Energy: 0.6937879234322084
Energy: 0.017252300072419378
Energy: 0.0160185552721802
Energy: 0.6997168849910175
Energy: 0.016018555264970397
Energy: 0.017252300072181686
Energy: 0.6937879234326575
Energy: 0.01508118541834965
Energy: 0.015615874747177676
Energy: 0.015356146204947347
Energy: 1.4334534956629632
Energy: 0.015356146204947347
Energy: 0.015615874750663734
Energy: 0.01508118541834965
Energy: 0.015615874746728714
Energy: 0.015356146204709662
Energy: 1.4334534956627254
Energy: 0.6997168849910175
Energy: 0.016018555364851264
Energy: 0.017252300072657063
Energy: 0.6937879234322084
Energy: 0.017252300072657063
Energy: 0.016018555506089455
Energy: 0.6997168849910175
Energy: 0.01601855543826977
Energy: 0.017252300072419378
Energy: 0.6937879234326575
Energy: 0.01508118541834965
Energy: 0.015615874747177676
Energy: 0.015356146204498383
Energy: 1.4334534956627254
Energy: 0.015356146204947347
Energy: 0.015615874748815067
Energy: 0.01508118541834965
Energy: 0.015615874746253342
Energy: 0.015356146204947347
Energy: 1.4334534956625145
Energy: 0.6997168849910175
Energy: 0.016018555264970397
Energy: 0.017252300072657063
Energy: 0.6937879234322084
Energy: 0.017252300072657063
Energy: 0.0160185552749532
Energy: 0.6997168849908061
Energy: 0.016018555269380792
Energy: 0.017252300072419378
Energy: 0.6937879234326575
Energy: 0.01508118541834965
Energy: 0.015615874746728714
Energy: 0.015356146204947347
Energy: 1.4334534956625145
Energy: 0.015356146204947347
Energy: 0.015615874749052754
Energy: 0.01508118541834965
Energy: 0.015615874747177676
Energy: 0.015356146204947347
Energy: 1.4334534956634386

minimum gb energy = 0.01508118541834965 eV
minimum distance =  2.30639326642262 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.3750453460677838
Energy: 1.195983913572867
Energy: 1.245972340725166
Energy: 1.1881581775394388
Energy: 1.2531325809755143
Energy: 1.2294560477930587
Energy: 1.3750453460694918
Energy: 1.1959839135740056
Energy: 1.245972340725166
Energy: 1.316078942423652
Energy: 1.2627775283890628
Energy: 1.246008398160052
Energy: 1.2814159734084645
Energy: 1.2676559735750956
Energy: 1.2488833244776174
Energy: 1.165937240689572
Energy: 1.2627775283867855
Energy: 1.2460083981611905
Energy: 1.2814159734084645
Energy: 1.2676559735756647
Energy: 1.2880447982211538
Energy: 1.1602800376523619
Energy: 1.2298590151265807
Energy: 1.1794421763216825
Energy: 1.2346400829265125
Energy: 1.1592639612915872
Energy: 1.2880447982205843
Energy: 1.219531434673477
Energy: 1.2298590151254423
Energy: 1.1794421763228207
Energy: 1.2087627925793252
Energy: 1.1566523824054553
Energy: 1.2110207089881035
Energy: 1.1685281174443105
Energy: 1.2046977032414734
Energy: 1.162077324804032
Energy: 1.2087627925816025
Energy: 1.1566523824037473
Energy: 1.211020708989242
Energy: 1.1685281174448796
Energy: 1.207054764276217
Energy: 1.2291649754749825
Energy: 1.2048026189078591
Energy: 1.2214497248748883
Energy: 1.1797968024078833
Energy: 1.1793220675374738
Energy: 1.2070547642756475
Energy: 1.2291649754732745
Energy: 1.20480261890729
Energy: 1.2214497248765959
Energy: 1.1880159585889514
Energy: 1.2289085305789067
Energy: 1.1808322532726254
Energy: 1.1942916917241386
Energy: 1.1739920556349746
Energy: 1.2144052670570715
Energy: 1.1989748662369557
Energy: 1.2289085305794758
Energy: 1.1808322532720559
Energy: 1.1942916917224307
Energy: 1.1926952566622977
Energy: 1.211582788966613
Energy: 1.2843157516521333
Energy: 1.2307345353500743
Energy: 1.1676029811656716
Energy: 1.1866745232844083
Energy: 1.1926952566617286
Energy: 1.211582788968321
Energy: 1.2843157516521333
Energy: 1.2307345353495052
Energy: 1.2601873030811945
Energy: 1.246052934042266
Energy: 1.2480013660724458
Energy: 1.2254095545496049
Energy: 1.2144470052664917
Energy: 1.3052251082006892
Energy: 1.2601873030794866
Energy: 1.2460529340439739
Energy: 1.2480013660724458
Energy: 1.2254095545490358
Energy: 1.2468901399935248
Energy: 1.2813978885282715
Energy: 1.2159462397815053
Energy: 1.285036454614181
Energy: 1.2350606239995614
Energy: 1.2799001546635138
Energy: 1.246890139994094
Energy: 1.281397888528841
Energy: 1.2159462397815053
Energy: 1.285036454614181
Energy: 1.2238013688230278
Energy: 1.2288554348809768
Energy: 1.2756457518896105
Energy: 1.2476536705591308
Energy: 1.2523274306126337
Energy: 1.272261868612488
Energy: 1.1881939371527501
Energy: 1.2288554348809768
Energy: 1.2756457518765172
Energy: 1.2476536705591308
Energy: 1.1629982298866075
Energy: 1.2466953250269175
Energy: 1.2639365329545422
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Energy: 1.2337674705531425
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Energy: 1.1903375477992812
Energy: 1.1939558736023737
Energy: 1.2492406530743745
Energy: 1.194692092542116
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Energy: 1.1634682882415743
Energy: 1.1903375477998503
Energy: 1.1640994461440783
Energy: 1.2052660840308251
Energy: 1.1804877778425695
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Energy: 1.1804877778431389
Energy: 1.2217405015679998
Energy: 1.17445645728315
Energy: 1.177376946074367
Energy: 1.204411473208536
Energy: 1.1642179769000773
Energy: 1.2016736872482536
Energy: 1.2120779707006253
Energy: 1.1744564572820113
Energy: 1.1773769460737977
Energy: 1.2044114732079667
Energy: 1.1642179769006467
Energy: 1.2335753404252636
Energy: 1.163366534030056
Energy: 1.1915679591310182
Energy: 1.1956008440749681
Energy: 1.241051919613064
Energy: 1.1938665086321754
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Energy: 1.1633665340294868
Energy: 1.1915679591315878
Energy: 1.1956008440766241
Energy: 1.231008272876295
Energy: 1.2651997720372026
Energy: 1.2488398659917415
Energy: 1.1621943109056962
Energy: 1.2245073460285465
Energy: 1.1700755620913728
Energy: 1.231008272876295
Energy: 1.2651997720372026
Energy: 1.2488398659934494
Energy: 1.1621943109056962
Energy: 1.2547693386403276
Energy: 1.2173741045044129
Energy: 1.235703052189851
Energy: 1.2262304874020056
Energy: 1.2723303214147208
Energy: 1.1892873032730369
Energy: 1.254769338639189
Energy: 1.2173741045044129
Energy: 1.235703052189851
Energy: 1.2262304874008672
Energy: 1.3103310233530685
Energy: 1.2314141696208212
Energy: 1.2711873268293885
Energy: 1.1885610344224844
Energy: 1.2948649083103092
Energy: 1.252849893101926
Energy: 1.3103310233524994
Energy: 1.231414169623098
Energy: 1.2711873268310963
Energy: 1.1885610344224844
Energy: 1.2327790378789205
Energy: 1.232778468774409
Energy: 1.253188741829498
Energy: 1.1646951380648551
Energy: 1.305405192544018
Energy: 1.2132935700662102
Energy: 1.232779037877782
Energy: 1.2327784687749785
Energy: 1.2531887418312058
Energy: 1.1646951380648551
Energy: 1.2310321693225343
Energy: 1.2258997062414665
Energy: 1.2098483487396603
Energy: 1.194599218728792
Energy: 1.218317832067058
Energy: 1.169154150572639
Energy: 1.2310321693225343
Energy: 1.2258997062431742
Energy: 1.2098483487385219
Energy: 1.1945992187276533
Energy: 1.2106696208049679
Energy: 1.180134041142524
Energy: 1.1842142818126726
Energy: 1.1871014278239211
Energy: 1.2068866597814698
Energy: 1.1741129782592477
Energy: 1.210669620805537
Energy: 1.180134041141955
Energy: 1.184214281811534
Energy: 1.1871014278250598
Energy: 1.174183497803511
Energy: 1.2216391467647758
Energy: 1.2282346178114465
Energy: 1.2221515137365802
Energy: 1.1821483721845145
Energy: 1.1917625298921672
Energy: 1.1741834978023724
Energy: 1.2216391467636374
Energy: 1.228234617810877
Energy: 1.222151513735442
Energy: 1.2247889958706273
Energy: 1.2097636041544222
Energy: 1.155798594623685
Energy: 1.187527294494221
Energy: 1.1621012359173317
Energy: 1.2055436802160613
Energy: 1.224788995871766
Energy: 1.2097636041521453
Energy: 1.155798594623685
Energy: 1.187527294493652
Energy: 1.2250470545824443
Energy: 1.2270218478522532
Energy: 1.1599266435394473
Energy: 1.1959053253776273
Energy: 1.2066161738583194
Energy: 1.22920416518318
Energy: 1.2250470545830137
Energy: 1.2270218478533919
Energy: 1.1599266435394473
Energy: 1.1959053253781964
Energy: 1.267276857200162
Energy: 1.2713576595290677
Energy: 1.1895828787563436
Energy: 1.2423337209958671
Energy: 1.167605106300105
Energy: 1.2468594159388589
Energy: 1.267276857200162
Energy: 1.2713576595284983
Energy: 1.189582878755205
Energy: 1.2423337209941596
Energy: 1.188158177983263
Energy: 1.2530344383103382
Energy: 1.1793976900525742
Energy: 1.3401543155192368
Energy: 1.1959839135734363
Energy: 1.245972340725166
Energy: 1.1881581781961188
Energy: 1.2530344383109073
Energy: 1.1793976900520051
Energy: 1.3401543155192368
Energy: 1.2676559735762343
Energy: 1.2488833244764788
Energy: 1.165937240689572
Energy: 1.2627775283884932
Energy: 1.2460083981606211
Energy: 1.2814159734090336
Energy: 1.2676559735745263
Energy: 1.2488833244764788
Energy: 1.165937240689572
Energy: 1.2627775283902012
Energy: 1.225047054581306
Energy: 1.2346400829275994
Energy: 1.1592639612915872
Energy: 1.2880447982211538
Energy: 1.1643889595708694
Energy: 1.2298590151260116
Energy: 1.225047054583583
Energy: 1.2346400829281685
Energy: 1.1592639612927258
Energy: 1.2880447982200152
Energy: 1.1685281174443105
Energy: 1.2046977032403348
Energy: 1.1828752980210993
Energy: 1.2087627925798947
Energy: 1.1566523824048858
Energy: 1.2110207089886726
Energy: 1.1685281174443105
Energy: 1.2046977032414734
Energy: 1.1828752980216686
Energy: 1.2087627925810331

minimum gb energy = 1.155798594623685 eV
minimum distance =  2.24221943538155 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4734485515578908
Energy: 1.2773598080118815
Energy: 1.2464311292425605
Energy: 1.2940314048353887
Energy: 1.2159364109797794
Energy: 1.2616254859909761
Energy: 1.4734485515578908
Energy: 1.2773598080124373
Energy: 1.2464311292422827
Energy: 1.2534356888156808
Energy: 1.197327510748561
Energy: 1.2375916140504835
Energy: 1.1872967362606344
Energy: 1.2697737952819421
Energy: 1.1661165841021086
Energy: 1.289737227825387
Energy: 1.1973275107468944
Energy: 1.2375916140504835
Energy: 1.1872967362614675
Energy: 1.3071547327487927
Energy: 1.2585242832870362
Energy: 1.2344263953532582
Energy: 1.1768837431177848
Energy: 1.243790141618394
Energy: 1.2537714515603395
Energy: 1.1962201215293589
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Energy: 1.2125732559735791
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Energy: 1.1913532485084661
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Energy: 1.2125732559735791
Energy: 1.251438366857642
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Energy: 1.199462372285964
Energy: 1.1712876027727344
Energy: 1.1658262166588866
Energy: 1.1846777471201222
Energy: 1.2695699479976983
Energy: 1.226785474851421
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Energy: 1.1658262166583313
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Energy: 1.225457902188049
Energy: 1.2723784758678682
Energy: 1.1657780999194398
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Energy: 1.278756698757302
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Energy: 1.250572521336228
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Energy: 1.2006043836611624
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Energy: 1.166800640237182
Energy: 1.3178819903638401
Energy: 1.2169793005378953
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Energy: 1.2321119928358355
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Energy: 1.171634066984253
Energy: 1.2507085340851287
Energy: 1.2142756553068763
Energy: 1.2661579614897056
Energy: 1.1754242419952263
Energy: 1.2119213002779259
Energy: 1.17163406698592
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Energy: 1.214275655304654
Energy: 1.26615796148915
Energy: 1.34043616606922
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Energy: 1.2120555395863983
Energy: 1.2536559078677791
Energy: 1.2526693944939797
Energy: 1.2887222978971258
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Energy: 1.2758742350498922
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Energy: 1.27587423505017
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Energy: 1.2785902863536125
Energy: 1.2110747533933155
Energy: 1.2496223322031477
Energy: 1.2312314818464873
Energy: 1.4240865631627655
Energy: 1.2987100765595443
Energy: 1.2785902863538903
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minimum gb energy = 1.159890414976401 eV
minimum distance =  2.20037236010695 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.1188186105829225
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Energy: 1.3057775883776688
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Energy: 1.289222373309624
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Energy: 1.3980576295579819
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Energy: 1.2330638248170225
Energy: 1.2002171435999913
Energy: 1.19884357782497
Energy: 1.1451049644820448
Energy: 1.398057629558922
Energy: 1.2303344280393997
Energy: 1.2701484754376808
Energy: 1.2460729694072719
Energy: 1.2294480322679355
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Energy: 1.2701484754376808
Energy: 1.2460729694066452
Energy: 1.2294480322695025
Energy: 1.2152605065541584
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Energy: 1.223049283589259
Energy: 1.4447281437889834
Energy: 1.2531244566785127
Energy: 1.2281806817814196
Energy: 1.2178415841546555
Energy: 1.1846607785167906
Energy: 1.2230492835883187
Energy: 1.44472814378867
Energy: 1.2531244566797661
Energy: 1.2604586456121039
Energy: 1.1118205993391794
Energy: 1.2599817908738817
Energy: 1.1316619613595331
Energy: 1.164736648521208
Energy: 1.198343823721624
Energy: 1.2604586456108504
Energy: 1.1118205993385526
Energy: 1.2599817908741955
Energy: 1.1316619613585932
Energy: 1.0628734865265026
Energy: 1.2273506250058237
Energy: 1.1503765976465377
Energy: 1.230264277569219
Energy: 1.397494149787172
Energy: 1.0875966541198716
Energy: 1.0628734865265026
Energy: 1.2273506250067638
Energy: 1.1503765976465377
Energy: 1.2302642775685924
Energy: 1.2343249770136746
Energy: 1.2159509941039621
Energy: 1.1592527410485207
Energy: 1.1503592967647045
Energy: 1.1995921789917885
Energy: 1.1980655842530596
Energy: 1.2343249770136746
Energy: 1.2159509941039621
Energy: 1.1592527410475808
Energy: 1.150359296765331
Energy: 1.2177488518162018
Energy: 1.2643973497841903
Energy: 1.2501552362937076
Energy: 1.3128951607713975
Energy: 1.3037101279462855
Energy: 1.2749156970705828
Energy: 1.217748851817455
Energy: 1.2643973497841903
Energy: 1.250155236294961
Energy: 1.3128951607717112

minimum gb energy = 1.0628734865265026 eV
minimum distance =  2.21113936644971 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.2186912237079712
Energy: 1.344383418549659
Energy: 1.166932730662086
Energy: 1.1767964756985128
Energy: 1.1669197360787937
Energy: 1.3444411174098332
Energy: 1.2186912237079712
Energy: 1.344383418549659
Energy: 1.166932730662086
Energy: 1.2199765481042557
Energy: 1.1774755544355868
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Energy: 1.1666677998111132
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Energy: 1.3567784821513127
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Energy: 1.1862178048029663
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Energy: 1.174903693422075
Energy: 1.17585910299388
Energy: 1.1866608231742448
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Energy: 1.174903693422075
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Energy: 1.1866608231742448
Energy: 1.1759982525588815
Energy: 1.2616033670163853
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Energy: 1.1763340202109764
Energy: 1.1759982525588815
Energy: 1.2616033670163853
Energy: 1.1943669913492991
Energy: 1.3564432122793246
Energy: 1.1756818456767175
Energy: 1.1931087232664637
Energy: 1.1938188701508463
Energy: 1.185659398191572
Energy: 1.1514659922441755
Energy: 1.1758155061587399
Energy: 1.175681845675642
Energy: 1.1931087232675397
Energy: 1.1938188701508463
Energy: 1.185659398191572
Energy: 1.1865304530398406
Energy: 1.2389495390918812
Energy: 1.3567919096635341
Energy: 1.1753732051479782
Energy: 1.254335829213123
Energy: 1.181851240665461
Energy: 1.1865304530398406
Energy: 1.2389495390918812
Energy: 1.35679190966461
Energy: 1.1753732051490535
Energy: 1.2000420371094105
Energy: 1.166837351058583
Energy: 1.192721383643167
Energy: 1.1774999339055428
Energy: 1.1760974836837954
Energy: 1.1516863682845315
Energy: 1.2000420371094105
Energy: 1.166837351058583
Energy: 1.192721383643167
Energy: 1.1774999339055428
Energy: 1.237854799841846
Energy: 1.1669197360798695
Energy: 1.3444411174098332
Energy: 1.2186912237079712
Energy: 1.344383418549659
Energy: 1.166932730662086
Energy: 1.2203644132776335
Energy: 1.1669197360798695
Energy: 1.3444411174098332
Energy: 1.218691223709047

minimum gb energy = 1.1514659922441755 eV
minimum distance =  2.25509079603654 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.2215004375199479
Energy: 1.1916079655249439
Energy: 1.0838763394855893
Energy: 1.2638555130158782
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Energy: 1.1577612105338577
Energy: 1.2215004375207827
Energy: 1.1916079655249439
Energy: 1.0838763394843367
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Energy: 1.0828419862989702
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Energy: 1.065214395508741
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Energy: 1.1837926239798773
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Energy: 1.1093566594695141
Energy: 1.2061326283886296
Energy: 1.1245683556260442
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Energy: 1.1837926239794596
Energy: 1.1088212639408568
Energy: 1.1616372688830332
Energy: 1.1077703307575053
Energy: 1.181217233971912
Energy: 1.0839507643920676
Energy: 1.1651631495975847
Energy: 1.0647287532859175
Energy: 1.161637268883868
Energy: 1.1077703307591749
Energy: 1.1812172339723293
Energy: 1.083950764389563
Energy: 1.103962287911907
Energy: 1.1052152755600928
Energy: 1.3688490148424035
Energy: 1.084817468404066
Energy: 1.2836741551747604
Energy: 1.0651736411672317
Energy: 1.1039622879131594
Energy: 1.10521527556051
Energy: 1.3688490148436556
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Energy: 1.1016435774863618
Energy: 1.1070564909291623
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Energy: 1.1179622074663473
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Energy: 1.1070564909287448
Energy: 1.1629762001112913
Energy: 1.1112771085089315
Energy: 1.189708603772773
Energy: 1.1264345589732976
Energy: 1.1269384109721328
Energy: 1.1938215638204566
Energy: 1.1096889370442236
Energy: 1.1285973689093702
Energy: 1.1897086037744427
Energy: 1.126434558973715
Energy: 1.126938410976307
Energy: 1.193821563819622
Energy: 1.0653780095957825
Energy: 1.1642714215170555
Energy: 1.1071087409368296
Energy: 1.1019483828919248
Energy: 1.1398821038683553
Energy: 1.1338966354259898
Energy: 1.0653780095991217
Energy: 1.164271421517473
Energy: 1.1071087409368296
Energy: 1.1019483828919248
Energy: 1.1032898303468501
Energy: 1.1072505673535402
Energy: 1.1052346695195885
Energy: 1.1361067620288214
Energy: 1.0844083206593589
Energy: 1.2723133403915152
Energy: 1.1032898303489371
Energy: 1.1072505673535402
Energy: 1.105234669519171
Energy: 1.1361067620279863
Energy: 1.0846350169011763
Energy: 1.191009777493328
Energy: 1.1078543229367646
Energy: 1.24358300428324
Energy: 1.0636489901481594
Energy: 1.164730042707984
Energy: 1.0846350169020111
Energy: 1.1910097774924933
Energy: 1.1078543229367646
Energy: 1.2435830042844924
Energy: 1.1079221919197682
Energy: 1.1943302271888223
Energy: 1.126694085884736
Energy: 1.1248246328390146
Energy: 1.1955967995325487
Energy: 1.1178422963205341
Energy: 1.107922191918516
Energy: 1.1943302271871528
Energy: 1.126694085884736
Energy: 1.1248246328406846
Energy: 1.1719311434678938
Energy: 1.0651040739275894
Energy: 1.1627582014008562
Energy: 1.1054279110543093
Energy: 1.1023809588062736
Energy: 1.1451806303881116
Energy: 1.171931143467059
Energy: 1.0651040739280069
Energy: 1.1627582013987696
Energy: 1.1054279110518048
Energy: 1.1255299412263868
Energy: 1.0634964113059213
Energy: 1.1079591403935398
Energy: 1.1049356520991143
Energy: 1.1365640187686457
Energy: 1.1316394505333742
Energy: 1.1255299412272217
Energy: 1.0634964113055039
Energy: 1.1079591403931226
Energy: 1.1049356520995317
Energy: 1.1691918517052835
Energy: 1.1084867192407755
Energy: 1.1926108743388681
Energy: 1.1064978730835382
Energy: 1.1251163705781733
Energy: 1.114968642515375
Energy: 1.1691918517044486
Energy: 1.108486719239106
Energy: 1.1926108743380333
Energy: 1.106497873082286

minimum gb energy = 1.063233347879244 eV
minimum distance =  2.286781899985 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.3246471658467764
Energy: 1.138517931562126
Energy: 1.3664745640322653
Energy: 1.388500673362696
Energy: 1.3662463862608447
Energy: 1.142217321426734
Energy: 1.324647165847272
Energy: 1.1385179315626215
Energy: 1.3664745640322653
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Energy: 1.4139745537225867
Energy: 1.270504414003576
Energy: 1.1069657729110436
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Energy: 1.364401634158865
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Energy: 1.1083719456780519
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Energy: 1.4138985037688871
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Energy: 1.1961256251992678
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Energy: 1.2561141256244328
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Energy: 1.3658600585362575
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Energy: 1.108385756244853
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Energy: 1.4293737962278479
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Energy: 1.3890237173571869
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Energy: 1.1393679780712955
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Energy: 1.138823096736703
Energy: 1.1069097343241594
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Energy: 1.4139269122825966
Energy: 1.2535004554379015
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Energy: 1.4139269122825966
Energy: 1.428822354377929
Energy: 1.3662463862603493
Energy: 1.1205035730732165
Energy: 1.324647165847272
Energy: 1.138517931563117
Energy: 1.3664745640322653
Energy: 1.384236824726816
Energy: 1.3662463862603493
Energy: 1.1385067569534115
Energy: 1.324647165847272
Energy: 1.1386329750275557
Energy: 1.1385617239894523
Energy: 1.2535004554379015
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Energy: 1.2705044140040713
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Energy: 1.2535004554383968
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Energy: 1.3644016341593603
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Energy: 1.1391014553321293
Energy: 1.1393710202859046
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Energy: 1.389023717356691
Energy: 1.364401634158865
Energy: 1.1391685708640804
Energy: 1.1391014553321293
Energy: 1.1393710202859046
Energy: 1.1083719456780519
Energy: 1.1129185133959778
Energy: 1.1068008979228685
Energy: 1.4295991013249287
Energy: 1.139174248443453
Energy: 1.1389901735593184
Energy: 1.1083719456780519
Energy: 1.1129185133954824
Energy: 1.1068008979228685
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Energy: 1.4138985037688871
Energy: 1.3744136366502537
Energy: 1.1068496922711941
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Energy: 1.1396170625162594
Energy: 1.4138985037688871
Energy: 1.3744136366497584
Energy: 1.1068496922711941
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Energy: 1.1388362577125113
Energy: 1.1389858576408356
Energy: 1.3646924982930375
Energy: 1.2642200788219475
Energy: 1.3640477251893093
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Energy: 1.3646924982930375
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Energy: 1.2649029916885077
Energy: 1.3648709191125672
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Energy: 1.1388382710994467
Energy: 1.1864349078891525
Energy: 1.3658600585362575
Energy: 1.1505766107037778
Energy: 1.3648709191125672
Energy: 1.13898703691569
Energy: 1.1388382710994467
Energy: 1.1133048861799548
Energy: 1.1069864937901883
Energy: 1.3743890839912958
Energy: 1.4142723986530021
Energy: 1.139592545691808
Energy: 1.1068742905288569
Energy: 1.1133048861804504
Energy: 1.1069864937906837
Energy: 1.3743890839912958
Energy: 1.4142723986530021
Energy: 1.4293737962273525
Energy: 1.1068627630807013
Energy: 1.1129301078775073
Energy: 1.108385756244853
Energy: 1.1389909337423805
Energy: 1.139178666136322
Energy: 1.4293737962278479
Energy: 1.1068627630807013
Energy: 1.1129301078775073
Energy: 1.108385756244853
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Energy: 1.139367978071791
Energy: 1.1391742040581054
Energy: 1.3644068785193955
Energy: 1.3890237173571869
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Energy: 1.1393679780712955
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Energy: 1.4139269122825966
Energy: 1.2535004554374058
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Energy: 1.2704631157627237
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Energy: 1.2535004554383968
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Energy: 1.1388230967362076
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Energy: 1.3664745640322653
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Energy: 1.3664745640322653
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Energy: 1.2705044140040713
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Energy: 1.389023717356691
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Energy: 1.139174248443453
Energy: 1.1389901735588681
Energy: 1.1083719456780519
Energy: 1.1129185133954824
Energy: 1.1068008979228685
Energy: 1.4295991013249287
Energy: 1.1391742484439487
Energy: 1.1389901735593184
Energy: 1.1083719456780519
Energy: 1.1132166833774029
Energy: 1.1068641205966636
Energy: 1.1396170625157638
Energy: 1.4138985037688871
Energy: 1.3744136366497584
Energy: 1.1068496922711941
Energy: 1.1132166833769075
Energy: 1.1068641205966636
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Energy: 1.4138985037683915
Energy: 1.2642200788214522
Energy: 1.364047725188814
Energy: 1.208014776855211
Energy: 1.1388362577130067
Energy: 1.138985857641331
Energy: 1.3646924982930375
Energy: 1.2642200788219475
Energy: 1.364047725188814
Energy: 1.2561141256244328
Energy: 1.1388362577125113
Energy: 1.1388382710994467
Energy: 1.1864349078891525
Energy: 1.3658600585362575
Energy: 1.279748312033123
Energy: 1.3648709191125672
Energy: 1.1389870369161854
Energy: 1.138838271099942
Energy: 1.186434907889648
Energy: 1.3658600585357619
Energy: 1.1505766107032824
Energy: 1.4142723986534975
Energy: 1.139592545691808
Energy: 1.1068742905288569
Energy: 1.1133048861804504
Energy: 1.1069864937906837
Energy: 1.3743890839917914
Energy: 1.4142723986530021
Energy: 1.1395925456923035
Energy: 1.1068742905293523
Energy: 1.1133048861799548
Energy: 1.108385756244853
Energy: 1.1389909337428759
Energy: 1.1391786661368175
Energy: 1.429373796226857
Energy: 1.1068627630811967
Energy: 1.1129301078775073
Energy: 1.108385756244853
Energy: 1.1389909337423805
Energy: 1.139178666136322
Energy: 1.4293737962273525
Energy: 1.3644068785193955
Energy: 1.3890237173576823
Energy: 1.1385561401769932
Energy: 1.1394095460255695
Energy: 1.1393679780712955
Energy: 1.1391742040576098
Energy: 1.3644068785193955
Energy: 1.3890237173576823
Energy: 1.138556140177489
Energy: 1.1394095460255695
Energy: 1.1388230967362076
Energy: 1.1069097343246548
Energy: 1.2704631157627237
Energy: 1.4139269122825966
Energy: 1.2535004554383968
Energy: 1.1385478517113916
Energy: 1.138823096736703
Energy: 1.1069097343241594
Energy: 1.2704631157632196
Energy: 1.4139269122821008

minimum gb energy = 1.1068008979228685 eV
minimum distance =  2.18912004433473 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.192133353696542
Energy: 1.229702221448047
Energy: 1.1713299599902882
Energy: 1.3358949108469385
Energy: 1.1554992413819662
Energy: 1.236704728955292
Energy: 1.192133353697902
Energy: 1.2297022214496791
Energy: 1.1713299599908322
Energy: 1.3403632325739316
Energy: 1.337811910809809
Energy: 1.171117495045113
Energy: 1.1173165484501097
Energy: 1.1477424768845572
Energy: 1.192285284902887
Energy: 1.2490038766414124
Energy: 1.337811910810353
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Energy: 1.147742476885101
Energy: 1.1998017992605678
Energy: 1.1687284985228177
Energy: 1.190553795084406
Energy: 1.3179380512123187
Energy: 1.1918168339384543
Energy: 1.1295901146149805
Energy: 1.1998017992608399
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Energy: 1.3179380512117747
Energy: 1.1634559520130552
Energy: 1.1693391741520485
Energy: 1.1677845623664422
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Energy: 1.2421787295363027
Energy: 1.2995510922422746
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Energy: 1.1677845623664422
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Energy: 1.168390715651935
Energy: 1.1688332790667246
Energy: 1.1700234190012981
Energy: 1.318514795422366
Energy: 1.2324000746158261
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Energy: 1.170023419001842
Energy: 1.318514795423726
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Energy: 1.3013630389391855
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Energy: 1.1918492874164168
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Energy: 1.2814417363660362
Energy: 1.3200253111728641
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Energy: 1.1920335609093093
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Energy: 1.1269956479322967
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Energy: 1.1261083111662773
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Energy: 1.2518415029042536
Energy: 1.2167240468820604
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Energy: 1.2518415029037095
Energy: 1.2167240468842362
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Energy: 1.1545554207233901
Energy: 1.1920040500851394
Energy: 1.1298301820618575
Energy: 1.1643454989752087
Energy: 1.2325269655569409
Energy: 1.125399804610346
Energy: 1.1545554207228461
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Energy: 1.1298301820599537
Energy: 1.199418110715969
Energy: 1.3165143883813448
Energy: 1.1916226992638141
Energy: 1.1737742458247569
Energy: 1.1600756060451074
Energy: 1.1679284817029354
Energy: 1.1994181107156967
Energy: 1.316514388380801
Energy: 1.1916226992659658
Energy: 1.173774245825548
Energy: 1.1672692057553626
Energy: 1.172186314273886
Energy: 1.2667675308876245
Energy: 1.1739698984205564
Energy: 1.3112009947260799
Energy: 1.1696770864315509
Energy: 1.1672692057540026
Energy: 1.1721863142733417
Energy: 1.2667675308881685
Energy: 1.1739698984205564
Energy: 1.2028846802159967
Energy: 1.3075185236845175
Energy: 1.2326522800198596
Energy: 1.1411606081023378
Energy: 1.1700193581974954
Energy: 1.167850544294067
Energy: 1.2028846802165405
Energy: 1.3075185236850615
Energy: 1.232652280021764
Energy: 1.1411606081028818
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Energy: 1.3187071195584705
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Energy: 1.195320979585479
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Energy: 1.2524334455939967
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Energy: 1.1737397787171415
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Energy: 1.173886046226598
Energy: 1.1223841978123619
Energy: 1.1298526990139517
Energy: 1.1945371009874455
Energy: 1.197294373882625
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Energy: 1.173886046226326
Energy: 1.122384197811818
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Energy: 1.1678222582616384
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Energy: 1.3321762314311099
Energy: 1.3034999818581041
Energy: 1.1678222582597344
Energy: 1.1466932868401478
Energy: 1.2664604772914496
Energy: 1.1415829691634551

minimum gb energy = 1.1173165484501097 eV
minimum distance =  2.22906225798255 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.1186482013089896
Energy: 1.13256362990589
Energy: 1.0951238316718528
Energy: 1.0947987175587106
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Energy: 1.0949136483604465
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Energy: 1.0949136483604465
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Energy: 1.1327169198769904
Energy: 1.0955184604939034
Energy: 1.1314920942263866
Energy: 1.0953853184800153
Energy: 1.3058181985706265

minimum gb energy = 1.055146919186098 eV
minimum distance =  2.31510086187349 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.2854838108049893
Energy: 1.2670835312269677
Energy: 1.38534886162863
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minimum gb energy = 1.264039826504814 eV
minimum distance =  2.22763055183444 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.319388068482595
Energy: 1.3609375446843885
Energy: 1.3193834723262226
Energy: 1.361879890157547
Energy: 1.4955866932944388
Energy: 1.3611915394372194
Energy: 1.319388068482595
Energy: 1.360937544707529
Energy: 1.2540340668526717
Energy: 1.4905947746507724
Energy: 1.3189313465672055
Energy: 1.30744550500788
Energy: 1.3239125734586148
Energy: 1.4070075745908754
Energy: 1.2540340668522652
Energy: 1.4905947746503656
Energy: 1.3189313465676125
Energy: 1.30744550500788
Energy: 1.3741775851568667
Energy: 1.2527056892174955
Energy: 1.3606855417243517
Energy: 1.3281090237404025
Energy: 1.3851594503553675
Energy: 1.2633777858400086
Energy: 1.3531113605437055
Energy: 1.2527056892170887
Energy: 1.3606855417243517
Energy: 1.3281090237404025
Energy: 1.381653008517816
Energy: 1.2541919468305351
Energy: 1.3074567605474285
Energy: 1.3044665829790274
Energy: 1.297304251905591
Energy: 1.3278608498009674
Energy: 1.381653008517816
Energy: 1.2541919468305351
Energy: 1.3074567605474285
Energy: 1.3044665829794337
Energy: 1.287858609246027
Energy: 1.4275827362740499
Energy: 1.3355222895109735
Energy: 1.25550327754101
Energy: 1.5130247358833289
Energy: 1.2781652336463716
Energy: 1.28785860924562
Energy: 1.4275827362740499
Energy: 1.3355222895105665
Energy: 1.25550327754101
Energy: 1.287760065706587
Energy: 1.2882398016929204
Energy: 1.3507765080087322
Energy: 1.3218487388211348
Energy: 1.3341294827162236
Energy: 1.2963355485875956
Energy: 1.287760065706587
Energy: 1.2882398016929204
Energy: 1.3507765080087322
Energy: 1.3218487388203217
Energy: 1.3271127441244552
Energy: 1.3044585558976238
Energy: 1.2634920124984428
Energy: 1.4587426463362256
Energy: 1.2568203763378913
Energy: 1.3578779817888857
Energy: 1.3271127441244552
Energy: 1.3044585558976238
Energy: 1.2634920124980362
Energy: 1.4587426463370388
Energy: 1.3280725494812557
Energy: 1.342682020127287
Energy: 1.3426784288108549
Energy: 1.3280772082629457
Energy: 1.2747473421003508
Energy: 1.2747093300136776
Energy: 1.3280725494808492
Energy: 1.3426820201268805
Energy: 1.3426784288104483
Energy: 1.3280772082629457
Energy: 1.4586589507611447
Energy: 1.2635208030976393
Energy: 1.304947103994539
Energy: 1.3269584327201671
Energy: 1.3578029331843409
Energy: 1.256851695854959
Energy: 1.458658950761958
Energy: 1.2635208030972327
Energy: 1.3049471039941323
Energy: 1.3269584327201671
Energy: 1.3221354308991808
Energy: 1.3507873115397158
Energy: 1.288227432867085
Energy: 1.2877369630065436
Energy: 1.2963607495672311
Energy: 1.3341797480843152
Energy: 1.3221354308999942
Energy: 1.3507873115397158
Energy: 1.288227432867085
Energy: 1.2877369630065436
Energy: 1.2553865229255157
Energy: 1.3355708132052058
Energy: 1.4275827362740499
Energy: 1.2878592497996226
Energy: 1.278151649667825
Energy: 1.5130247358841422
Energy: 1.2553865229251089
Energy: 1.3355708132056126
Energy: 1.427582736273643
Energy: 1.287859249799216
Energy: 1.3044681127639002
Energy: 1.3074634619156345
Energy: 1.2542245638287661
Energy: 1.3816489550398705
Energy: 1.3278662436835527
Energy: 1.2978627000644434
Energy: 1.3044681127639002
Energy: 1.3074634619156345
Energy: 1.2542245638287661
Energy: 1.381648955040277

minimum gb energy = 1.2526937138702205 eV
minimum distance =  2.19450264424272 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.277045898959805
Energy: 1.1173331008957763
Energy: 1.223996039680297
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.4255868936464993
Energy: 1.1172747095413194
Energy: 1.4242763506853122
Energy: 1.1172531149808695
Energy: 1.1895657455445916
Energy: 1.6395808175079951
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.4242763506853122
Energy: 1.1172531149808695
Energy: 1.4636035280509392
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.1521111282327952
Energy: 1.1176196379111023
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.1519923594455106
Energy: 1.070866751371175
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.117242580418392
Energy: 1.453858002232963
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.6396302646489178
Energy: 1.339461967314259
Energy: 1.117242580418392
Energy: 1.4310879362392848
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.1173331008957763
Energy: 1.1900128245189308
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.4903090132001966
Energy: 1.1173331008957763
Energy: 1.117917709103171
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.63958081750873
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.5704487240506004
Energy: 1.1172531149808695
Energy: 1.3839633688513606
Energy: 1.63958081750873
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.4242763506853122
Energy: 1.1521111282327952
Energy: 1.1176196379118373
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.1521111282327952
Energy: 1.1176196379111023
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.1519923594455106
Energy: 1.070866751371175
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.1519923594455106
Energy: 1.070866751371175
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.6396302646489178
Energy: 1.339461967314259
Energy: 1.117242580418392
Energy: 1.453858002232963
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.6396302646489178
Energy: 1.339461967314259
Energy: 1.117242580418392
Energy: 1.4412407808405312
Energy: 1.1173419328742638
Energy: 1.3517306465937078
Energy: 1.1173331008957763
Energy: 1.223996039681032
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.2810892103434866
Energy: 1.1173331008957763
Energy: 1.117917709103171
Energy: 1.1172531149808695
Energy: 1.3839633688520951
Energy: 1.63958081750873
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.668928908361654
Energy: 1.1172531149808695
Energy: 1.4636035280516742
Energy: 1.63958081750873
Energy: 1.1181902362543807
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.1521111282327952
Energy: 1.1176196379118373
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.1521111282327952
Energy: 1.1176196379111023
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.1519923594455106
Energy: 1.070866751371175
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.1519923594447756
Energy: 1.070866751371175
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.6396302646489178
Energy: 1.339461967314259
Energy: 1.117242580418392
Energy: 1.453858002233698
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.6396302646489178
Energy: 1.339461967314259
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.4617660172675553
Energy: 1.1173331008957763
Energy: 1.117917709103171
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.2149077249052993
Energy: 1.1172747095413194
Energy: 1.7717009221780504
Energy: 1.1172531149808695
Energy: 1.4636035280516742
Energy: 1.63958081750873
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.668928908361654
Energy: 1.1172531149808695
Energy: 1.4636035280516742
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.1521111282327952
Energy: 1.1176196379118373
Energy: 1.147392316850976
Energy: 1.071115232489127
Energy: 1.587385980329295
Energy: 1.0708708254976875
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.1519923594455106
Energy: 1.070866751371175
Energy: 1.5873326429974592
Energy: 1.0711011741965142
Energy: 1.1473938527631717
Energy: 1.1176138410527452
Energy: 1.117242580418392
Energy: 1.453858002233698
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.6396302646489178
Energy: 1.339461967314259
Energy: 1.117242580418392
Energy: 1.453858002233698
Energy: 1.1172263466992476
Energy: 1.1181250617867813
Energy: 1.1173331008957763
Energy: 1.117917709103171
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.1173419328742638
Energy: 1.5268210541817064
Energy: 1.117333100896511
Energy: 1.117917709103171
Energy: 1.0720940097370684
Energy: 1.1178282793949905
Energy: 1.6395808175079951
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.7717009221780504
Energy: 1.1172531149808695
Energy: 1.4636035280509392
Energy: 1.63958081750873
Energy: 1.1181902362543807
Energy: 1.1172747095413194
Energy: 1.668928908361654

minimum gb energy = 1.070866751371175 eV
minimum distance =  2.22205838914508 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.4843075914254458
Energy: 1.1951821709097654
Energy: 1.2697999525909185
Energy: 1.2697343148115612
Energy: 1.2698001821537814
Energy: 1.1950718129996452
Energy: 1.4843075914254458
Energy: 1.1951821709100985
Energy: 1.2697999525912516
Energy: 1.299693340334167
Energy: 1.321478933277026
Energy: 1.286672936553796
Energy: 1.2673104975182132
Energy: 1.2731828441992734
Energy: 1.2920941730284934
Energy: 1.2417840637701123
Energy: 1.321478933277026
Energy: 1.2866729365544622
Energy: 1.2673104975185465
Energy: 1.2731828441996065
Energy: 1.2819341506154132
Energy: 1.2349797910530267
Energy: 1.3743551734017472
Energy: 1.2774047085807194
Energy: 1.2784429452605834
Energy: 1.3922157648777307
Energy: 1.2819341506150799
Energy: 1.2349797910530267
Energy: 1.3743551734017472
Energy: 1.2774047085807194
Energy: 1.3747440666395427
Energy: 1.2347425276217305
Energy: 1.2884072616181477
Energy: 1.3031558151512759
Energy: 1.321056937889307
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Energy: 1.3747440666395427
Energy: 1.2347425276217305
Energy: 1.2884072616181477
Energy: 1.3031558151512759
Energy: 1.2542004820322938
Energy: 1.28604178892084
Energy: 1.236294628471576
Energy: 1.310037832333994
Energy: 1.257184625231206
Energy: 1.2289063732406607
Energy: 1.2542004820319608
Energy: 1.3032917595035236
Energy: 1.2362946284712428
Energy: 1.310037832333994
Energy: 1.2536657651430434
Energy: 1.1948185202618822
Energy: 1.2640851890449778
Energy: 1.2660976940732356
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Energy: 1.2863614143471633
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Energy: 1.2640851890453109
Energy: 1.2660976940705704
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Energy: 1.2080722046036885
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Energy: 1.310090921462546
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Energy: 1.2080722046036885
Energy: 1.3081318596336913
Energy: 1.2448939929823934
Energy: 1.239807985280155
Energy: 1.243270989711948
Energy: 1.2631303566480645
Energy: 1.2825378095219915
Energy: 1.2749982241302993
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Energy: 1.2432709897112817
Energy: 1.2631303566483978
Energy: 1.2641274868689252
Energy: 1.3231103615016853
Energy: 1.3294321356134446
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Energy: 1.2248096033578113
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Energy: 1.3231103615016853
Energy: 1.3294321356141108
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Energy: 1.2640845486394028
Energy: 1.2482637739166704
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Energy: 1.26718703183246
Energy: 1.2579039000912662
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Energy: 1.2482637739170035
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Energy: 1.244393625814744
Energy: 1.2590629308396568
Energy: 1.3237609941920536
Energy: 1.1968813993661933
Energy: 1.4145772589456174
Energy: 1.2573174283371822
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Energy: 1.2590629308396568
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Energy: 1.1968813993658602
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Energy: 1.2605603153826763
Energy: 1.2634249233019483
Energy: 1.3040000525604618
Energy: 1.2347120776485196
Energy: 1.2866633081750682
Energy: 1.2672268673278004
Energy: 1.2605603153840086
Energy: 1.2634249233022814
Energy: 1.3040000525607949
Energy: 1.2347120776485196
Energy: 1.345922512137399
Energy: 1.253373894558274
Energy: 1.1967019418340217
Energy: 1.2550807907364558
Energy: 1.253457665298124
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Energy: 1.345922512137399
Energy: 1.253373894558274
Energy: 1.1967019418336884
Energy: 1.2550807907367891
Energy: 1.26689520428171
Energy: 1.3870426106669524
Energy: 1.2350972758404086
Energy: 1.3360133550495532
Energy: 1.2920579538266384
Energy: 1.2765510260789497
Energy: 1.2668952042823765
Energy: 1.3870426106666192
Energy: 1.2350972758404086
Energy: 1.3360133550498863
Energy: 1.2748988454412493
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Energy: 1.2587999743920248
Energy: 1.2463329623521322
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Energy: 1.2748988454412493
Energy: 1.3857823274561956
Energy: 1.2587999743920248
Energy: 1.2463329623514658
Energy: 1.2118026142738303
Energy: 1.2746844045369943
Energy: 1.356167449875602
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Energy: 1.258000613015947
Energy: 1.291099830214223
Energy: 1.2118026142734974
Energy: 1.2746844045373276
Energy: 1.3561674498752685
Energy: 1.2736806907040243
Energy: 1.2989881034895605
Energy: 1.267575278951622
Energy: 1.2411139738478136
Energy: 1.2471735405455666
Energy: 1.1953383393879662
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Energy: 1.2989881034895605
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Energy: 1.2471735405452335
Energy: 1.276444931457987
Energy: 1.2920198113689048
Energy: 1.315111337389214
Energy: 1.2022960815209602
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Energy: 1.2022960815209602
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Energy: 1.2358792214447651
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Energy: 1.1967785860163638
Energy: 1.3034454153013608
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Energy: 1.4249949833602513
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Energy: 1.2550349577043676
Energy: 1.3040357680899013
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Energy: 1.3844345705158225
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Energy: 1.2867719186739088
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Energy: 1.3040357680899013
Energy: 1.235338927308015
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Energy: 1.2640985213969334
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Energy: 1.2671505335700373
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Energy: 1.254787047984805
Energy: 1.3085850043083977
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Energy: 1.274841996636777
Energy: 1.2997326888109142
Energy: 1.3225422135142209
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Energy: 1.253441553130188
Energy: 1.274841996636444
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Energy: 1.2703480422964184
Energy: 1.2987665408025817
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Energy: 1.1970343011711213
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Energy: 1.2703480422964184
Energy: 1.2987665408025817
Energy: 1.2595246498199228
Energy: 1.1970343011704552
Energy: 1.267177448877279
Energy: 1.29159660498287
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Energy: 1.2882487644723668
Energy: 1.1967208852330793
Energy: 1.2816767870501466
Energy: 1.267177448877279
Energy: 1.2915966049832033
Energy: 1.224920933980066
Energy: 1.2882487644723668
Energy: 1.3718927650479145
Energy: 1.2523208895763362
Energy: 1.276142921347216
Energy: 1.2639283165043227
Energy: 1.2669994522044847
Energy: 1.2385637786819894
Energy: 1.3718927650479145
Energy: 1.2523208895763362
Energy: 1.2761429213475495
Energy: 1.2639283165039896
Energy: 1.2690936448071108
Energy: 1.3038511702972748
Energy: 1.3003119020676799
Energy: 1.2642759825639054
Energy: 1.359188051045119
Energy: 1.2387762669397586
Energy: 1.2690936448071108
Energy: 1.3038511702969418
Energy: 1.3003119020676799
Energy: 1.2642759825639054
Energy: 1.1963040013046238
Energy: 1.2928577668567631
Energy: 1.2659122546905461
Energy: 1.2254378980067118
Energy: 1.2535931986387874
Energy: 1.3332135871952289
Energy: 1.1963040013046238
Energy: 1.29285776685643
Energy: 1.265912254690213
Energy: 1.2254378980067118
Energy: 1.4447812903673756
Energy: 1.25394185427257
Energy: 1.277516771307149
Energy: 1.305653072510906
Energy: 1.2542099674057323
Energy: 1.2823072370040474
Energy: 1.4447812903677086
Energy: 1.2539418542722367
Energy: 1.277516771307482
Energy: 1.3056530725112392
Energy: 1.19645336981488
Energy: 1.396131703089964
Energy: 1.2762567064160306
Energy: 1.264783675158072
Energy: 1.3881205903180645
Energy: 1.2826225027703457
Energy: 1.1964533698142137
Energy: 1.396131703089964
Energy: 1.2762567064160306
Energy: 1.264783675158405
Energy: 1.2662369552651649
Energy: 1.2631943254521707
Energy: 1.2424421933570058
Energy: 1.2644070256234856
Energy: 1.2386787269807475
Energy: 1.4480311615064716
Energy: 1.2662369552651649
Energy: 1.2631943254521707
Energy: 1.2424421933576721
Energy: 1.2644070256234856
Energy: 1.2997943267815715
Energy: 1.2665763606500948
Energy: 1.2738430756041024
Energy: 1.2127074774372357
Energy: 1.2773383591046872
Energy: 1.2633975275186933
Energy: 1.2997943267815715
Energy: 1.2665763606500948
Energy: 1.2738430756037693
Energy: 1.2127074774369029
Energy: 1.2021444750397279
Energy: 1.346590274738218
Energy: 1.2769492972044114
Energy: 1.2917386036433636
Energy: 1.3463233405716248
Energy: 1.2631476486047004
Energy: 1.2021444750393946
Energy: 1.346590274738218
Energy: 1.2769492972044114
Energy: 1.2917386036433636
Energy: 1.2285199182647857
Energy: 1.2707048901408156
Energy: 1.267650945625422
Energy: 1.2909008966916369
Energy: 1.2416730331969834
Energy: 1.2725123571340358
Energy: 1.2285199182644524
Energy: 1.2707048901408156
Energy: 1.267650945625422
Energy: 1.2909008966916369
Energy: 1.284682796072979
Energy: 1.1946926000962244
Energy: 1.3010179142933709
Energy: 1.2109972509964992
Energy: 1.2741789746844776
Energy: 1.2632617352478193
Energy: 1.284682796072979
Energy: 1.1946926000962244
Energy: 1.3010179142933709
Energy: 1.2109972509964992
Energy: 1.1948972402886977
Energy: 1.2588512253296806
Energy: 1.2386239084320554
Energy: 1.2670106633913005
Energy: 1.2828777634789739
Energy: 1.2664090400945875
Energy: 1.1948972402883644
Energy: 1.2588512253296806
Energy: 1.2386239084323885
Energy: 1.2670106633916336
Energy: 1.233844385712553
Energy: 1.2825679705174913
Energy: 1.3874987396036353
Energy: 1.286385919536479
Energy: 1.2758591884411166
Energy: 1.3953924728847669
Energy: 1.23384438571222
Energy: 1.2825679705174913
Energy: 1.3874987396036353
Energy: 1.286385919536479
Energy: 1.2550835112056093
Energy: 1.243574809223055
Energy: 1.2634302315802857
Energy: 1.3580116581306392
Energy: 1.27496163616597
Energy: 1.2551725597330983
Energy: 1.2550835112052763
Energy: 1.243574809222722
Energy: 1.2634302315806187
Energy: 1.3580116581309725
Energy: 1.268773774078149
Energy: 1.2937000367104494
Energy: 1.2531203428170996
Energy: 1.225415916959676
Energy: 1.2649488303341023
Energy: 1.2888592029239745
Energy: 1.2687737740784824
Energy: 1.293700036711116
Energy: 1.2531203428164333
Energy: 1.2254159169593428
Energy: 1.2622769182294562
Energy: 1.239280207089277
Energy: 1.4120277314968748
Energy: 1.2670955481823258
Energy: 1.314343925832358
Energy: 1.2979789896085123
Energy: 1.2622769182287898
Energy: 1.239280207089277
Energy: 1.4120277314965417
Energy: 1.2670955481823258
Energy: 1.3729307918004983
Energy: 1.1968553430846582
Energy: 1.437997312696255
Energy: 1.26365687089004
Energy: 1.2754386389039711
Energy: 1.2588981216901596
Energy: 1.3729307918004983
Energy: 1.1968553430846582
Energy: 1.437997312696255
Energy: 1.26365687089004
Energy: 1.2633505236769547
Energy: 1.3002885546828402
Energy: 1.1966947497875124
Energy: 1.2276255472666666
Energy: 1.2263601183074782
Energy: 1.2913920108992436
Energy: 1.2633505236769547
Energy: 1.3002885546821736
Energy: 1.1966947497871794
Energy: 1.2276255472666666
Energy: 1.2671582708909308
Energy: 1.1967249098788684
Energy: 1.2394707289883333
Energy: 1.2693831852594197
Energy: 1.2576473585414754
Energy: 1.3142416135081718
Energy: 1.2671582708905975
Energy: 1.1967249098788684
Energy: 1.2394707289883333
Energy: 1.269383185259753
Energy: 1.3088551841918996
Energy: 1.2545607435580293
Energy: 1.280028902650759
Energy: 1.3655611774366179
Energy: 1.2774741341183002
Energy: 1.2523703307623444
Energy: 1.3088551841918996
Energy: 1.2545607435580293
Energy: 1.280028902652092
Energy: 1.3655611774366179
Energy: 1.3653843327619908
Energy: 1.2639461227405724
Energy: 1.246117269890959
Energy: 1.2551848562165082
Energy: 1.2459683823394676
Energy: 1.2749003155999155
Energy: 1.3653843327613246
Energy: 1.263946122740239
Energy: 1.2461172698912923
Energy: 1.2551848562168415
Energy: 1.2895185091300974
Energy: 1.2784186008701144
Energy: 1.3280991710154226
Energy: 1.2345894560717363
Energy: 1.3975956362108883
Energy: 1.2419388482811597
Energy: 1.2895185091297643
Energy: 1.2784186008704475
Energy: 1.3280991710154226
Energy: 1.2345894560720696
Energy: 1.2648942401011156
Energy: 1.2465492010081876
Energy: 1.258601751604155
Energy: 1.4201739642258318
Energy: 1.256807156100139
Energy: 1.3629425562771014
Energy: 1.264894240101449
Energy: 1.2465492010081876
Energy: 1.258601751604155
Energy: 1.4201739642258318
Energy: 1.2125089142555143
Energy: 1.2453815545841038
Energy: 1.23516728853945
Energy: 1.256631291683252
Energy: 1.2637253410005194
Energy: 1.2764159244258209
Energy: 1.2125089142558474
Energy: 1.2453815545844371
Energy: 1.2351672885397833
Energy: 1.2566312916839184
Energy: 1.290471230319233
Energy: 1.2673941010098864
Energy: 1.2703162040466072
Energy: 1.2022951843699108
Energy: 1.3096700188451893
Energy: 1.216571696442164
Energy: 1.290471230319233
Energy: 1.2673941010102197
Energy: 1.2703162040466072
Energy: 1.2022951843695777

minimum gb energy = 1.1946926000962244 eV
minimum distance =  2.26276341889929 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2956720105310238
Energy: 1.361785591147732
Energy: 1.2176362008385173
Energy: 1.1920599740940891
Energy: 1.2180636624510022
Energy: 1.3206046542027938
Energy: 1.2956720105310238
Energy: 1.3617855911465184
Energy: 1.2176362008409447
Energy: 1.2312056018425626
Energy: 1.243605870652056
Energy: 1.4279089290166234
Energy: 1.2182333143123065
Energy: 1.2164981125649967
Energy: 1.339944632190927
Energy: 1.2544726035560019
Energy: 1.243605870652056
Energy: 1.4279089290166234
Energy: 1.2182333143123065
Energy: 1.2164981125649967
Energy: 1.1478289202852894
Energy: 1.2043576135566427
Energy: 1.217686235811401
Energy: 1.168252337903688
Energy: 1.218387979365965
Energy: 1.2342308723132884
Energy: 1.1478289202865029
Energy: 1.2043576135578566
Energy: 1.217686235811401
Energy: 1.168252337903688
Energy: 1.2301785130290221
Energy: 1.2032510374528667
Energy: 1.2176209234387674
Energy: 1.216821353144498
Energy: 1.2191330942066125
Energy: 1.3056822599053968
Energy: 1.2301785130302358
Energy: 1.2032510374540801
Energy: 1.217620923439981
Energy: 1.2168213531469254
Energy: 1.1452516548883407
Energy: 1.1945590474307983
Energy: 1.2206179320661397
Energy: 1.2246162260332472
Energy: 1.249749004938243
Energy: 1.1959504775873444
Energy: 1.1452516548895544
Energy: 1.2029988076439446
Energy: 1.2206179320673536
Energy: 1.2246162260320335
Energy: 1.2066599389976465
Energy: 1.3164951986114617
Energy: 1.1905078923896766
Energy: 1.190635490926919
Energy: 1.1932264740611112
Energy: 1.1635291138593573
Energy: 1.2066599389976465
Energy: 1.316495198610248
Energy: 1.1905078923896766
Energy: 1.1906354909257053
Energy: 1.2527915063075108
Energy: 1.2048129189594972
Energy: 1.3108418310954564
Energy: 1.2566434676417584
Energy: 1.217959636497532
Energy: 1.2042604070136618
Energy: 1.2527915063075108
Energy: 1.2048129189594972
Energy: 1.3108418310942427
Energy: 1.2566434676417584
Energy: 1.1459637879735982
Energy: 1.2034192183661583
Energy: 1.2188035991009758
Energy: 1.2170373514282264
Energy: 1.2190330926498414
Energy: 1.2033203727639505
Energy: 1.1459637879735982
Energy: 1.2034192183661583
Energy: 1.2188035991009758
Energy: 1.2170373514294401
Energy: 1.3068931037176887
Energy: 1.2536380993959013
Energy: 1.5069588466772148
Energy: 1.195437116981075
Energy: 1.2179066762161235
Energy: 1.2415372343659405
Energy: 1.3068931037176887
Energy: 1.2536380993959013
Energy: 1.5069588466784287
Energy: 1.195437116981075
Energy: 1.211979807052204
Energy: 1.2159574875433405
Energy: 1.1893078943154431
Energy: 1.198493355754272
Energy: 1.2183579312705004
Energy: 1.3142455419192078
Energy: 1.2119798070534178
Energy: 1.2159574875421273
Energy: 1.1893078943154431
Energy: 1.198493355754272
Energy: 1.2119836565174138
Energy: 1.304223224997181
Energy: 1.2207974697626733
Energy: 1.2168029563623066
Energy: 1.2950629851916184
Energy: 1.204830298502441
Energy: 1.2119836565161999
Energy: 1.304223224997181
Energy: 1.2207974697614594
Energy: 1.216802956361093
Energy: 1.1458594553452537
Energy: 1.2032654633467994
Energy: 1.3772912022484838
Energy: 1.1639078154923328
Energy: 1.219109428261956
Energy: 1.2034096006130035
Energy: 1.1458594553452537
Energy: 1.2032654633455857
Energy: 1.3772912022484838
Energy: 1.1639078154923328
Energy: 1.2150804752254338
Energy: 1.2047940912757595
Energy: 1.3156946798947655
Energy: 1.216159025500259
Energy: 1.2211107868725748
Energy: 1.3044556355639672
Energy: 1.2150804752254338
Energy: 1.2047940912745456
Energy: 1.3156946798947655
Energy: 1.216159025500259
Energy: 1.166225410838165
Energy: 1.3265388339484903
Energy: 1.2183327935214077
Energy: 1.3329306723037853
Energy: 1.1904677062897608
Energy: 1.2045001201538579
Energy: 1.166225410838165
Energy: 1.3265388339484903
Energy: 1.2183327935201942
Energy: 1.3329306723025716

minimum gb energy = 1.1452516548883407 eV
minimum distance =  2.25928513247023 Angstroms
sigma value = 33