Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
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=2.867570169270039
cohesive_energy=4.280336240308329
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9007742932785797e-19, 2.7152888504715e-19, 3.34044215129196e-19, 3.85060723509024e-19, 4.2799905730022395e-19, 4.64801054583204e-19, 4.9670680007268e-19, 5.245718560912079e-19, 5.490162649961459e-19, 5.7051106671789e-19, 5.8941835317572395e-19, 6.06034527046938e-19, 6.20598312649998e-19, 6.33305175534252e-19, 6.443217420696359e-19, 6.5379220815321e-19, 6.61836737032524e-19, 6.68561072365422e-19, 6.7405974257331e-19, 6.7841445866452195e-19, 6.816973185875879e-19, 6.83972409407868e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837705351519839e-19, 6.810580501106219e-19, 6.769100148051959e-19, 6.71068478797632e-19, 6.63224221997568e-19, 6.53000732896014e-19, 6.399477998588159e-19, 6.23512671947244e-19, 6.0301923062174995e-19, 5.776375483859219e-19, 5.463294147809279e-19, 5.078002710864959e-19, 4.6040948842941e-19, 4.0206302194903194e-19, 3.30061204017072e-19, 2.4086963297892597e-19, 1.298152402462062e-19, -9.389091532333138e-21, -1.85367030023898e-19, -4.10432792685048e-19, -7.03196926839234e-19, -1.09301291059797e-18, -1.62864459199368e-18, -2.39579880788556e-18, -3.55660782275124e-18, -5.4488425145706e-18, -8.8533076441572e-18, -1.5798262699557e-17, -3.2261428702224e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.014841846194477887
Energy: 0.015258060541783773
Energy: 0.09019261170559109
Energy: 0.09027059308941239
Energy: 0.10739301478619638
Energy: 0.0886703949938332
Energy: 0.10734140109353049
Energy: 0.08937214717192098
Energy: 0.09133045097388334
Energy: 0.017745314991232164
Energy: 0.015080374936028783
Energy: 0.08878311026595605
Energy: 0.1064996665622166
Energy: 0.015542334294106883
Energy: 0.0161312139612328
Energy: 0.08919599689192385
Energy: 0.08872532808259959
Energy: 0.10594875472156633
Energy: 0.08872884722365522
Energy: 0.10699054695882187
Energy: 0.08928097632662632
Energy: 0.08872730990178881
Energy: 0.10582408976441324
Energy: 0.015131459461953189
Energy: 0.0903112380989466
Energy: 0.10584530826985004
Energy: 0.015080672060766645
Energy: 0.015177588703646322
Energy: 0.10586669846317504
Energy: 0.0901076112201198
Energy: 0.016445233159497447
Energy: 0.10796615595817986
Energy: 0.08886525435111241
Energy: 0.08903041187790696
Energy: 0.08932496539225741
Energy: 0.0887521251613581
Energy: 0.015960784827073565
Energy: 0.015408909173028203
Energy: 0.08891796379213111
Energy: 0.015271357786852326
Energy: 0.016906139054410477
Energy: 0.09113339618868933
Energy: 0.0890885494629254
Energy: 0.01567091586956661
Energy: 0.015106123124836746
Energy: 0.08900876886805484
Energy: 0.09112992132621503
Energy: 0.0903422260224109
Energy: 0.08872614667225978
Energy: 0.015059266940954334
Energy: 0.08906525282856906
Energy: 0.0915459793486252
Energy: 0.10755027765983254
Energy: 0.015318416354978472
Energy: 0.015023656425557627
Energy: 0.0897568207325418
Energy: 0.015816515150406236
Energy: 0.016885742344640423
Energy: 0.10719196931687269
Energy: 0.08908486724026782
Energy: 0.015016974587123791
Energy: 0.10626253011902416
Energy: 0.0887261841300988
Energy: 0.10569756400554403
Energy: 0.08925079000177853
Energy: 0.10627269904027555
Energy: 0.015595975963074006
Energy: 0.016564361633615104
Energy: 0.1057361736037792
Energy: 0.08937943065256403

minimum gb energy = 0.014841846194477887 eV
minimum distance =  2.48249720750388 Angstroms
sigma value = 3


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

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Energy: 1.228088561095251
Energy: 1.1916297140747307
Energy: 1.1985079827761216
Energy: 1.2346773035408434
Energy: 1.2074724849795924
Energy: 1.2354426803828429
Energy: 1.1930613769551586
Energy: 1.1922699012157112
Energy: 1.1754429106384772
Energy: 1.1770577820291277
Energy: 1.2073157833820427
Energy: 1.2180067977959148
Energy: 1.2938740264122395
Energy: 1.204856620008306
Energy: 1.1927880001820192
Energy: 1.1922798904367298
Energy: 1.2357497207563395
Energy: 1.2071616812237318
Energy: 1.242326564357165
Energy: 1.2662208218273427
Energy: 1.198156281892083
Energy: 1.2194047921500635
Energy: 1.23538373729467
Energy: 1.2083258674472563
Energy: 1.2217410309466958
Energy: 1.2951648031140868
Energy: 1.2005370359057839
Energy: 1.2187122867647133
Energy: 1.2060576410572033
Energy: 1.2948201488503794
Energy: 1.2032806150272326
Energy: 1.3157329156842945
Energy: 1.229956764183525
Energy: 1.1847737304228105
Energy: 1.2004046324701
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Energy: 1.1903883251163367
Energy: 1.1994480061062662
Energy: 1.2966644846755269
Energy: 1.2948973617651014
Energy: 1.1910029168324743
Energy: 1.375516180316428
Energy: 1.2860635113933634
Energy: 1.1911027765289093
Energy: 1.2278561426036283
Energy: 1.2368630965038097
Energy: 1.1774146251605588
Energy: 1.202856161448551
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Energy: 1.2026403302756332
Energy: 1.1955443885670172
Energy: 1.1913938481578765
Energy: 1.27484152940357
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Energy: 1.2466108149582076
Energy: 1.1763516610123959
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Energy: 1.1771286159726448
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Energy: 1.1760340035609673
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Energy: 1.2361151160605641
Energy: 1.2378493448089671
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Energy: 1.186698796860698
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Energy: 1.173235659385549
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Energy: 1.2219479076381496
Energy: 1.199702376673436
Energy: 1.1997282567043746
Energy: 1.3149378979533657
Energy: 1.1992941615022807
Energy: 1.2362774082243986
Energy: 1.1925704640350194
Energy: 1.2216794611513304
Energy: 1.4138955142567424
Energy: 1.2059215946610577
Energy: 1.2052988625095322
Energy: 1.1917703287372552
Energy: 1.1973088940994363
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Energy: 1.192471759726148
Energy: 1.2354972153385908
Energy: 1.2064300784044117
Energy: 1.2145791594160984
Energy: 1.2217274221578291
Energy: 1.2080110251513152
Energy: 1.4161839241047212
Energy: 1.2936380675559842
Energy: 1.2051564915420159
Energy: 1.4158060274729918
Energy: 1.2945379507117738
Energy: 1.201200831370529
Energy: 1.2214197998028973
Energy: 1.310273349930884
Energy: 1.1776770931268232
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Energy: 1.2190098601139552
Energy: 1.2228043188253839
Energy: 1.2063633561544846
Energy: 1.1955728798820064
Energy: 1.2003980913053167
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Energy: 1.2020797871237323
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Energy: 1.2852078026794973
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Energy: 1.208662635852955
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Energy: 1.239852709911398
Energy: 1.195284960096649
Energy: 1.203910778518282
Energy: 1.2017923072972223
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Energy: 1.2039961006370596
Energy: 1.2054326025635886
Energy: 1.2750628367517012
Energy: 1.2356647845675046
Energy: 1.1779917681834067
Energy: 1.186776734022943
Energy: 1.27428113810666
Energy: 1.2046594863268283
Energy: 1.2047605575652955
Energy: 1.187353194831503
Energy: 1.2029627947326011
Energy: 1.2017510053550307
Energy: 1.1891253374914768
Energy: 1.1771698389508753
Energy: 1.2479465537586465
Energy: 1.2477011567256715
Energy: 1.2461461910378746
Energy: 1.1764717812612377
Energy: 1.1777345253028644
Energy: 1.2007234547589545
Energy: 1.2262058339156614
Energy: 1.191776001245726
Energy: 1.2045804588076412
Energy: 1.186498247673823
Energy: 1.2005859663773566
Energy: 1.2165914409449199
Energy: 1.1765214065336143
Energy: 1.2302837906238444
Energy: 1.2490184489858893
Energy: 1.2078796340910034
Energy: 1.2317778392285448
Energy: 1.1948406101001185
Energy: 1.19136527005622
Energy: 1.2299665406688223
Energy: 1.1981862443373241
Energy: 1.2039888786188284
Energy: 1.178321393865505
Energy: 1.2705048658678038
Energy: 1.1931968673132012
Energy: 1.192651198286505
Energy: 1.2666283972039256
Energy: 1.3145816131302699
Energy: 1.3281519190639353
Energy: 1.2270530239531314
Energy: 1.2079833239960345
Energy: 1.1976435041839797
Energy: 1.2012473413577616
Energy: 1.2243795387870118
Energy: 1.2000643709226835
Energy: 1.1935518740680076
Energy: 1.197126643090181
Energy: 1.2186422205681242
Energy: 1.2005468772199963
Energy: 1.2497773743556126
Energy: 1.294412985252945
Energy: 1.3294327366136376
Energy: 1.2256883140459223
Energy: 1.2054781312060474
Energy: 1.2186174688304683
Energy: 1.1938048091093416
Energy: 1.2254448335227948
Energy: 1.2158849798502425
Energy: 1.1984107701666877
Energy: 1.1780128270938133
Energy: 1.2351530781353741
Energy: 1.19900212226007
Energy: 1.236510094368043
Energy: 1.2162263126800268
Energy: 1.199888973089256
Energy: 1.4134064194635372

minimum gb energy = 1.173235659385549 eV
minimum distance =  2.24132741201948 Angstroms
sigma value = 75


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

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Energy: 1.3132472970144893
Energy: 1.2806672288459315
Energy: 1.2394211096360532
Energy: 1.2655606929841443
Energy: 1.2576163147576542
Energy: 1.249590591360538
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Energy: 1.2700986870764734
Energy: 1.2671054816158132
Energy: 1.2480068697779028
Energy: 1.311100818774679
Energy: 1.3846394694927087
Energy: 1.3488593608019872
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Energy: 1.262119580911404
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Energy: 1.2455008283380253
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Energy: 1.277009603579694
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Energy: 1.278484006137917
Energy: 1.280190031596088
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Energy: 1.2679714025104427
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Energy: 1.2423677158660453
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Energy: 1.30630346781552
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Energy: 1.2847053597958298
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Energy: 1.3673778503075995
Energy: 1.339764519554102
Energy: 1.2469998913561153
Energy: 1.353586750305633
Energy: 1.374583450105953
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minimum gb energy = 1.2282544091387861 eV
minimum distance =  2.25794922712313 Angstroms
sigma value = 105


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

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Energy: 1.340207714071429
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Energy: 1.1734701104870213
Energy: 1.302539296100141
Energy: 1.3582853071448335
Energy: 1.2896782847864086
Energy: 1.258721049516109
Energy: 1.3300091029926124
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Energy: 1.2343682857112648
Energy: 1.2253602884343362
Energy: 1.170396705924171
Energy: 1.2961506559100746
Energy: 1.294540500935149
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Energy: 1.3316209925712088
Energy: 1.3032240290837338
Energy: 1.2236028552548095
Energy: 1.300108492893421
Energy: 1.2161594393609432
Energy: 1.21654823542439
Energy: 1.2251217687479639
Energy: 1.2197314604957235
Energy: 1.2833962701407446
Energy: 1.20740443079105
Energy: 1.2659685673485646
Energy: 1.3037503833309467
Energy: 1.2490758452724036
Energy: 1.225038679183372
Energy: 1.2081918937770466
Energy: 1.2079533950327692
Energy: 1.233680069641715
Energy: 1.2085079317469645
Energy: 1.221725068488565
Energy: 1.3029063370806813
Energy: 1.3036030049299505
Energy: 1.2707870543730457
Energy: 1.325547398622496
Energy: 1.318925878499059
Energy: 1.3618301057116624
Energy: 1.2070675479983097
Energy: 1.2202913904530388
Energy: 1.2431746006896083
Energy: 1.2189485851254607
Energy: 1.319227315659325
Energy: 1.2398512742988665
Energy: 1.2344270503558887
Energy: 1.303504244919716
Energy: 1.3931373185728761
Energy: 1.3493143655342672
Energy: 1.2537546118492895
Energy: 1.2088069726043216
Energy: 1.1555895381572656
Energy: 1.3157215704348901
Energy: 1.1754587842064566
Energy: 1.1727238293085847
Energy: 1.233571876089993
Energy: 1.3151767060514377
Energy: 1.2382534817324322
Energy: 1.1928066675605231
Energy: 1.3171610973730468
Energy: 1.3201088690923932
Energy: 1.226593051622328

minimum gb energy = 1.1339414581496259 eV
minimum distance =  2.24099356146154 Angstroms
sigma value = 165


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

Energy: 1.6827609719254946
Energy: 1.189146550626274
Energy: 1.2007184604100478
Energy: 1.1953107152458615
Energy: 1.1854874234570518
Energy: 1.1659824714606197
Energy: 1.1487003350810812
Energy: 1.1497890547042822
Energy: 1.2145774691788367
Energy: 1.1907796565971516
Energy: 1.188806141712091
Energy: 1.214872098850086
Energy: 1.1804553171310441
Energy: 1.4200116010884674
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Energy: 1.1868561212570665
Energy: 1.2472088528197554
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Energy: 1.1920276395041027
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Energy: 1.4271656682161231
Energy: 1.4258443273527153
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Energy: 1.1685731117288356
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Energy: 1.1957505944841325
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Energy: 1.4259418138304112
Energy: 1.194841116956002
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Energy: 1.427312211938713
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Energy: 1.2569463877589828
Energy: 1.180944729828291
Energy: 1.1827308878234317
Energy: 1.2503976904070198
Energy: 1.1576535562632286
Energy: 1.1509417074080734
Energy: 1.1485509565299354
Energy: 1.1933968930280363
Energy: 1.1960943198535876
Energy: 1.1811196380861384
Energy: 1.1917222033124215
Energy: 1.1914436183508048
Energy: 1.1867554009165595
Energy: 1.151146789565182
Energy: 1.1520615941229282
Energy: 1.151991377330621
Energy: 1.15065949350146
Energy: 1.1835144649506892
Energy: 1.1933464962704659
Energy: 1.179037151694271
Energy: 1.2487879498784658
Energy: 1.18568158392608
Energy: 1.1828250739060218
Energy: 1.1500411093719003
Energy: 1.1491956922277056
Energy: 1.241104826029217
Energy: 1.1836982686905222
Energy: 1.1856792650734123
Energy: 1.1389899108886308
Energy: 1.1926637906588011
Energy: 1.2042467115666842
Energy: 1.1944722115484645
Energy: 1.1490510532743394
Energy: 1.1665160711235723
Energy: 1.1504090112275562
Energy: 1.1890325722446384
Energy: 1.1829219765531667
Energy: 1.181409066020038
Energy: 1.181932180735277
Energy: 1.183675949276711
Energy: 1.2195505210327584
Energy: 1.1899072535767499
Energy: 1.1882655390145807
Energy: 1.2198654810437315
Energy: 1.4052896089070863

minimum gb energy = 1.1389899108886308 eV
minimum distance =  2.25531544873784 Angstroms
sigma value = 41


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

Energy: 2.1679181355577275
Energy: 1.101194236860599
Energy: 1.1087540272202572
Energy: 1.06468007566833
Energy: 1.0632723624348766
Energy: 1.2261192556204732
Energy: 1.2242836031276898
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Energy: 1.065506479640187
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Energy: 1.1082005625494253
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Energy: 1.192929066393089
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Energy: 1.1616673088377651
Energy: 1.2255199374388757
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Energy: 1.0638389586615815
Energy: 1.064336088603877
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Energy: 1.1085168616403904
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Energy: 1.065041513646166
Energy: 1.2232524602302535
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Energy: 1.0625299625919025
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Energy: 1.0621814016140847
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Energy: 1.2258767012485838
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Energy: 1.1031919267430135
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Energy: 1.1028359765808777
Energy: 0.9983041199486151
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Energy: 1.0602930114104665
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Energy: 1.064738635782206
Energy: 1.063225752804084
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Energy: 1.0641498467683959
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Energy: 1.225604043272547
Energy: 1.161501481474296
Energy: 1.1609385211297876
Energy: 1.1611011929422868
Energy: 0.9981144843074874
Energy: 1.0766553947102557
Energy: 1.107960632011357
Energy: 1.1570043202881661
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Energy: 1.1150120502108802
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Energy: 1.2250871553870755
Energy: 1.107619858756622
Energy: 1.1057794395935852
Energy: 1.1088419516535617
Energy: 1.2263816290639535
Energy: 1.0633842762404468
Energy: 1.0634858682293344
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Energy: 1.1623987322108984
Energy: 1.1720416946263528
Energy: 1.0632700222170612
Energy: 1.0619669724758463
Energy: 1.061651347913645
Energy: 1.2245898377647433
Energy: 1.0630491365766552
Energy: 1.0662223351474003
Energy: 1.064870145761842
Energy: 1.0616475734236257
Energy: 1.2257374293334997
Energy: 1.1618316600130216
Energy: 1.1614030625710428
Energy: 1.1074521975531983
Energy: 1.065096872108364
Energy: 1.062112045190811
Energy: 1.0633428585078
Energy: 1.0603036392786034
Energy: 1.0612353802449144
Energy: 1.0655400959649428
Energy: 1.2218676762403284
Energy: 1.1612975420570208
Energy: 1.1615005391469886
Energy: 1.2249973183154035
Energy: 1.0652117278285553
Energy: 1.0634887604634196
Energy: 1.0622156209673301
Energy: 1.063370794766414
Energy: 1.0615217624301558
Energy: 1.2250354671827848
Energy: 1.0647062628439428
Energy: 1.1182020097847896
Energy: 1.103892071474119
Energy: 1.403156489847018
Energy: 1.0646966793988961
Energy: 1.0646257313013399
Energy: 1.104315213030892
Energy: 1.1080929695175956
Energy: 1.22398024100793
Energy: 1.0655778906337046
Energy: 1.0643861480951056
Energy: 1.0656443612182267
Energy: 1.4032602983972007
Energy: 1.104058339893594
Energy: 1.1616744711937947
Energy: 1.1031892584123726

minimum gb energy = 0.9981144843074874 eV
minimum distance =  2.30175980913562 Angstroms
sigma value = 185


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

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Energy: 1.0566428074267915
Energy: 1.424710054860138
Energy: 1.082291279331133
Energy: 1.147642844747328
Energy: 1.3146164506911544
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Energy: 1.1512088889931873
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Energy: 1.0532318719636027
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Energy: 1.3238421116665093
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Energy: 1.0995552530884076
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Energy: 1.0990475853798802
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Energy: 1.3195488258516503
Energy: 1.4183793946391001
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Energy: 1.109031907867995
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Energy: 1.1259551789023652
Energy: 1.1254553277988193
Energy: 1.0810725251708395
Energy: 1.0824251732199883
Energy: 1.0548209569102585
Energy: 1.1142109050827558
Energy: 1.1020993893640776
Energy: 1.031100868098565
Energy: 1.0328325053628027
Energy: 1.1142135083954674
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Energy: 1.1264179074579883
Energy: 1.254592493911706
Energy: 1.30050686741043
Energy: 1.4151342488933145
Energy: 1.1122236859190902
Energy: 1.4416563841757228
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Energy: 1.3734246044852865
Energy: 1.1472672985327337
Energy: 1.121602890677369
Energy: 1.050760082269608
Energy: 1.1024504952451264
Energy: 1.3099578727655379
Energy: 1.4138457374014441
Energy: 1.4162991549735686
Energy: 1.0856083885859864
Energy: 1.0917484261361097
Energy: 1.1109483934408524
Energy: 1.1281681452975936
Energy: 1.2431951353856239
Energy: 1.1257511169972516
Energy: 1.352669783348775
Energy: 1.0627071953104352
Energy: 1.0851006662097864
Energy: 1.0883381843446618
Energy: 1.0858924680254405
Energy: 1.1086481760531637
Energy: 1.108937777576565
Energy: 1.1089380432307248
Energy: 1.162322010239441
Energy: 1.125722737807318
Energy: 1.311545175791508
Energy: 1.4251125307979917
Energy: 1.4154010656441276
Energy: 1.27487700208501
Energy: 1.1087014680423852
Energy: 1.1085366399126284
Energy: 1.1078433899427804
Energy: 1.2429681900156107
Energy: 1.1079572986406228
Energy: 1.0842815777774744
Energy: 1.0579545806348916
Energy: 1.0557890991600776
Energy: 1.3039427645500337
Energy: 1.423380056377495
Energy: 1.0531477839606411
Energy: 1.1090024794479654
Energy: 1.1079279536102187
Energy: 1.1271122744874293
Energy: 1.1430742061536119
Energy: 1.171469305752863
Energy: 1.0559084912729864
Energy: 1.057868000207468
Energy: 1.0864067521688148
Energy: 1.056470683657928

minimum gb energy = 1.0301485664376313 eV
minimum distance =  2.25014717961466 Angstroms
sigma value = 33


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

Energy: 2.050819521285404
Energy: 1.1711302746734615
Energy: 1.169183961874468
Energy: 1.1604015166844197
Energy: 1.2692281455656902
Energy: 1.364690350968801
Energy: 1.3605826482589962
Energy: 1.367556881904555
Energy: 1.1815759165268578
Energy: 1.1712740155383576
Energy: 1.1302822506130363
Energy: 1.360625571446655
Energy: 1.2463153354707064
Energy: 1.2819493221545555
Energy: 1.271608973571453
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Energy: 1.3434172044320745
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Energy: 1.1524887193677873
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Energy: 1.1508006036985825
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Energy: 1.3713798252950196
Energy: 1.3663434132681962
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Energy: 1.2792127835711962
Energy: 1.1601921899735896
Energy: 1.1447350653889268
Energy: 1.293575036072813
Energy: 1.2362671825543565
Energy: 1.280502644975585
Energy: 1.2819314969839233
Energy: 1.2288466877233837
Energy: 1.1566004276202573
Energy: 1.2587648267917704
Energy: 1.1753231845858072
Energy: 1.1633734899815886
Energy: 1.1458983150699416
Energy: 1.142492425413366
Energy: 1.334490466377985
Energy: 1.25642245126871
Energy: 1.1539488401147693
Energy: 1.1692403909524052
Energy: 1.1751496421322023
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Energy: 1.1639000758136036
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Energy: 1.3353803141745182
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Energy: 1.3981476269073152
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Energy: 1.3550800401450018
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Energy: 1.1531818627581938
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Energy: 1.1423080041610916
Energy: 1.1423266125504494
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Energy: 1.1623225900135037
Energy: 1.3669232450068933
Energy: 1.359331129359545
Energy: 1.3354409819115818
Energy: 1.1527338966773315
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Energy: 1.1561639664766
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Energy: 1.1636806695986683
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Energy: 1.2038741773455022
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Energy: 1.2397683328752265
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Energy: 1.2561354075394613
Energy: 1.4241939932737726
Energy: 1.36791423656518
Energy: 1.1675666479705054
Energy: 1.1706719197086632

minimum gb energy = 1.1151008066223718 eV
minimum distance =  2.25988568794006 Angstroms
sigma value = 219


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

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Energy: 1.1095055414033534
Energy: 1.2085801555559794
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Energy: 1.2075741571488907
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Energy: 1.1401527825849331
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Energy: 1.2087787473537235
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Energy: 1.1269851386572483
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Energy: 1.1256528868633653
Energy: 1.1076331246956688
Energy: 1.108601329528115
Energy: 1.1165550705466716
Energy: 1.139850736420319

minimum gb energy = 1.087157458094394 eV
minimum distance =  2.28538832784104 Angstroms
sigma value = 15


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

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Energy: 1.2848873338981561
Energy: 1.3345151769882475
Energy: 1.290181248848391
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Energy: 1.2948666292699365
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minimum gb energy = 1.2794934009087862 eV
minimum distance =  2.23901400622843 Angstroms
sigma value = 293


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

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Energy: 1.3058566755150582
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Energy: 1.3227691483864308
Energy: 1.324669531688095
Energy: 1.3258118767618006
Energy: 1.411251055064525
Energy: 1.3745310531037591
Energy: 1.3457218442072576
Energy: 1.3520918911215838
Energy: 1.3494978701230769
Energy: 1.338071740163148
Energy: 1.3891726128357047
Energy: 1.3560958597504547
Energy: 1.3281014081674982
Energy: 1.3359294660361352
Energy: 1.3228905618325308
Energy: 1.3588095337681596
Energy: 1.3221808757856337
Energy: 1.3551695035821305
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Energy: 1.3771814026646025
Energy: 1.3750416147961053
Energy: 1.477203995067797
Energy: 1.385826747614081
Energy: 1.3663623292820668
Energy: 1.3669426976581351
Energy: 1.3225497572950375
Energy: 1.3301883616630354
Energy: 1.3477878554419847
Energy: 1.3898945378673655
Energy: 1.3883584614881
Energy: 1.3046419994562684
Energy: 1.3172959613034074
Energy: 1.39280833834825
Energy: 1.3780933339194532
Energy: 1.3346677920391021
Energy: 1.3602481926836003
Energy: 1.4515192868219937
Energy: 1.451668857579976
Energy: 1.2932450204192558
Energy: 1.2888549713642192
Energy: 1.2910595865517631
Energy: 1.3210607333887898
Energy: 1.3491869238613403
Energy: 1.3330097810868984
Energy: 1.3413094284507558
Energy: 1.4205866114796075
Energy: 1.4255794173006322
Energy: 1.3609509220754201
Energy: 1.3507008323221856
Energy: 1.2851988680769626
Energy: 1.296035560349103
Energy: 1.3219325351235838
Energy: 1.3636300433281514
Energy: 1.3231603294104788
Energy: 1.4291802934342266
Energy: 1.3692974429355822
Energy: 1.3293158295119951
Energy: 1.3717636926888166
Energy: 1.4135731979489843
Energy: 1.2893218207385235
Energy: 1.2899521502978921
Energy: 1.3292530188169611
Energy: 1.480281945204368
Energy: 1.315324425493396
Energy: 1.3221873704275442
Energy: 1.3780138979795384

minimum gb energy = 1.268509674062464 eV
minimum distance =  2.24184722505129 Angstroms
sigma value = 293


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

Energy: 1.38170266321342
Energy: 1.3002769653886093
Energy: 1.2231882150809723
Energy: 1.2221972033785933
Energy: 1.2222040389011866
Energy: 1.2239367327999215
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Energy: 1.2194613202271771
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Energy: 1.1962631731064517
Energy: 1.0992995261788516
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Energy: 1.0992599665145
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Energy: 1.1003305500151208
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Energy: 1.3008271667092202
Energy: 1.2187432395564617
Energy: 1.2012908062957544
Energy: 1.300173679805056
Energy: 1.1975804824336818
Energy: 1.1976937433343406
Energy: 1.1986989452345023
Energy: 1.2215326179016561
Energy: 1.2994654848646257
Energy: 1.1004247269293723
Energy: 1.196576479812597
Energy: 1.1990948156039094
Energy: 1.223523078398047
Energy: 1.2243053385582843
Energy: 1.2220982307859238
Energy: 1.2172766933526484
Energy: 1.2192134248262445
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Energy: 1.1955116689336616
Energy: 1.196532462411236
Energy: 1.2981718351602982
Energy: 1.2218063548414406
Energy: 1.223454610841517
Energy: 1.2169858346751359
Energy: 1.22119339388599
Energy: 1.1970339569806139
Energy: 1.1948965389286372
Energy: 1.2226806730480777
Energy: 1.2167379235112457
Energy: 1.2983258572350374
Energy: 1.1988379043568607
Energy: 1.223638062738507
Energy: 1.221633462899877
Energy: 1.2231703025496183
Energy: 1.1976309043882138
Energy: 1.2988403722651813
Energy: 1.2204641419288293
Energy: 1.2181543294302264
Energy: 1.1978153718435476
Energy: 1.198646972151106
Energy: 1.100441979527401
Energy: 1.2973143925965118
Energy: 1.1973911145637435
Energy: 1.2227857237529818
Energy: 1.2022725484276588
Energy: 1.1962910808807634
Energy: 1.1950946062287604
Energy: 1.2213791048100093
Energy: 1.2216817257231178
Energy: 1.2197442712325022
Energy: 1.3343647634573186
Energy: 1.1988042527121094
Energy: 1.2227205118965565
Energy: 1.1966078183862894
Energy: 1.2239777644953624
Energy: 1.222959952531029
Energy: 1.2224393204649617
Energy: 1.2231561675692908
Energy: 1.2248239701025916
Energy: 1.1981104843820567
Energy: 1.2228915706815782
Energy: 1.2194724630375384
Energy: 1.0994535312751388
Energy: 1.2210820487868375
Energy: 1.2982691523403342
Energy: 1.22248971210554
Energy: 1.224138490559233
Energy: 1.1948500012059107
Energy: 1.2194182200961032
Energy: 1.21460651556613
Energy: 1.2214382857260802
Energy: 1.198147174435586

minimum gb energy = 1.0979182248528796 eV
minimum distance =  2.35798513612152 Angstroms
sigma value = 15


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

Energy: 1.9016594133618043
Energy: 1.2725988747787862
Energy: 1.2753004067587015
Energy: 1.2901321466447442
Energy: 1.2779691048003112
Energy: 1.3681229159951847
Energy: 1.4480982810957614
Energy: 1.2582683669043282
Energy: 1.3217037340672078
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Energy: 1.302375164511903
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Energy: 1.3548365560852413
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Energy: 1.2993118117564308
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Energy: 1.360427388944316
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Energy: 1.357531810328792
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Energy: 1.2649176771340815
Energy: 1.3146417321634392
Energy: 1.3088281045422254
Energy: 1.2577162024953323
Energy: 1.4500581709693747
Energy: 1.4578110376964688
Energy: 1.318195227790219
Energy: 1.361755239449566
Energy: 1.3587493916768225
Energy: 1.2817402418937567
Energy: 1.2637410795491215
Energy: 1.2644484446785718
Energy: 1.2562150574399953
Energy: 1.4490923981787012
Energy: 1.2578600635294945
Energy: 1.3044844031241687
Energy: 1.236029578891993
Energy: 1.4222674050191024
Energy: 1.2923337461546516
Energy: 1.2828060347249313
Energy: 1.282748872605742
Energy: 1.280763747781849
Energy: 1.3055984610372064
Energy: 1.2541992326107345
Energy: 1.2558219007487867
Energy: 1.2780802724006828
Energy: 1.3548666277145986
Energy: 1.2357723683107131
Energy: 1.3242968230004184
Energy: 1.4539792422846751
Energy: 1.4501897873029959
Energy: 1.4567152717571161
Energy: 1.2882771257896202
Energy: 1.2561052074248096
Energy: 1.2551147991896543
Energy: 1.2855476714325218
Energy: 1.3548640912042822
Energy: 1.3385533839669386
Energy: 1.3805611830233486
Energy: 1.32511229621385
Energy: 1.2659274137592458
Energy: 1.288303209656701
Energy: 1.2937661363010144
Energy: 1.287360223212878
Energy: 1.3133764801709416
Energy: 1.4747840257395606
Energy: 1.4065017633763977
Energy: 1.407870360732393
Energy: 1.3648496800092618
Energy: 1.3764134591854584
Energy: 1.314160214068119
Energy: 1.2876725366553832
Energy: 1.297219180988469
Energy: 1.407451867743927
Energy: 1.3328481010329674
Energy: 1.3166036335416558
Energy: 1.284498623941695
Energy: 1.260128863186556
Energy: 1.3567042329696277
Energy: 1.3770113955412648
Energy: 1.3137404583808028
Energy: 1.2952627901757068
Energy: 1.2922029751087767
Energy: 1.3130768604167335
Energy: 1.316238715860042
Energy: 1.3158839960459487
Energy: 1.2939519903851686
Energy: 1.3722520889287235
Energy: 1.3304546696888404
Energy: 1.320183836462331
Energy: 1.337432081839121
Energy: 1.4061586307014817
Energy: 1.2903692296604494
Energy: 1.3440871688424736
Energy: 1.341932727518404
Energy: 1.346524474865044
Energy: 1.3197629827108623
Energy: 1.2929818795943864
Energy: 1.3227674809601044
Energy: 1.3204670365818232
Energy: 1.4209726639388878
Energy: 1.3311395855276844
Energy: 1.3552162001883414
Energy: 1.3442762664360468
Energy: 1.314182899848407
Energy: 1.3264438674638679
Energy: 1.3199980295402312
Energy: 1.3142466033730094
Energy: 1.3474612031999333
Energy: 1.3433112941467078
Energy: 1.2819116636813628
Energy: 1.3522273214398615
Energy: 1.3310842970720058
Energy: 1.34409671127083
Energy: 1.3425696253204147
Energy: 1.2909817094715952
Energy: 1.3301506448919849
Energy: 1.3405608438341556
Energy: 1.3203050485825814
Energy: 1.3391207244455772
Energy: 1.3148682450651499
Energy: 1.3316040532943838
Energy: 1.3181882349120182
Energy: 1.3546119174702296
Energy: 1.3133091554407117
Energy: 1.2923117445919239
Energy: 1.4096018217219803
Energy: 1.3378773133645527
Energy: 1.319838831398392
Energy: 1.330380597851311
Energy: 1.3327825641478532
Energy: 1.3187919060193196
Energy: 1.325163951072637
Energy: 1.3364365715201505
Energy: 1.4101818705883769
Energy: 1.407949096210282
Energy: 1.4101017941084766
Energy: 1.3137003686163289
Energy: 1.3231820129639429
Energy: 1.3003482430426083
Energy: 1.2595999846636643
Energy: 1.284051308291678
Energy: 1.4530365253575808
Energy: 1.406907915748519
Energy: 1.3677663333299934
Energy: 1.2967889256191099
Energy: 1.2879778280370888
Energy: 1.305065363186525
Energy: 1.3005693981544197
Energy: 1.3484175172915251
Energy: 1.314503253712154
Energy: 1.409192155424388
Energy: 1.334365865041512
Energy: 1.2545541226706471
Energy: 1.2562088451834228
Energy: 1.2876874893759205
Energy: 1.286967731383592
Energy: 1.265521256749658
Energy: 1.3301475972860792
Energy: 1.3816460670751123
Energy: 1.3381538708918448
Energy: 1.3544958259299844
Energy: 1.304353775870527
Energy: 1.2559135087688897
Energy: 1.2538248794661078
Energy: 1.305244266021456
Energy: 1.3302187306712563
Energy: 1.239067432076335
Energy: 1.4537810866878582
Energy: 1.3332210234616084
Energy: 1.3742194378269499
Energy: 1.3539931138010486
Energy: 1.3040226681040736
Energy: 1.2552791109149748
Energy: 1.2577999322645177
Energy: 1.4499649987093988
Energy: 1.2627121866257132
Energy: 1.2897590625684712
Energy: 1.283295652451979
Energy: 1.293027467688181
Energy: 1.3571579331063786
Energy: 1.2609637533223772
Energy: 1.455440856321656
Energy: 1.451966604732552
Energy: 1.2559351476480058
Energy: 1.3086096531963112
Energy: 1.2644522272255803
Energy: 1.265098746217227
Energy: 1.2827440852041834
Energy: 1.361592586436683
Energy: 1.3606291212035526
Energy: 1.3212369609636563
Energy: 1.322535660676805
Energy: 1.349049766518909
Energy: 1.2587526500775448
Energy: 1.3311644110226406
Energy: 1.3163513207940765
Energy: 1.2636162723655504
Energy: 1.2646634816402516
Energy: 1.3536453809429636
Energy: 1.3585225768191391
Energy: 1.3604158402021094
Energy: 1.34150489347776
Energy: 1.3514627890013968
Energy: 1.3164100859938281
Energy: 1.3146741408009905
Energy: 1.3327425775311577
Energy: 1.3304481206745513
Energy: 1.4328321017772825
Energy: 1.4286828880881213
Energy: 1.3814090580802085
Energy: 1.356024039279229
Energy: 1.3134376949648725
Energy: 1.295529226409566
Energy: 1.3221846861878177
Energy: 1.3105399051003164
Energy: 1.3727295950674905
Energy: 1.3456476988635597
Energy: 1.3538346407522743
Energy: 1.2685966142936465
Energy: 1.263489517030238
Energy: 1.3696696287021337
Energy: 1.3931599239238088
Energy: 1.3663300434608896
Energy: 1.3612058143456078
Energy: 1.3784015309467617
Energy: 1.3101028522944391
Energy: 1.3073243289289267
Energy: 1.3531280969949124
Energy: 1.3584971891979625
Energy: 1.317342476026968
Energy: 1.3809376862859137
Energy: 1.2632710867940316
Energy: 1.2648384686639562
Energy: 1.35387484101987
Energy: 1.3118368212068818
Energy: 1.3742040652803897
Energy: 1.374056318831886
Energy: 1.3782658407502277
Energy: 1.375339198155071
Energy: 1.3160345529820094
Energy: 1.3530579613475964
Energy: 1.3329149491729504
Energy: 1.2821043021794392
Energy: 1.4137230524956677
Energy: 1.4052733648122544
Energy: 1.3460684319669884
Energy: 1.3081496734016604
Energy: 1.3376641851424962
Energy: 1.2652835801243318
Energy: 1.3994412169238746
Energy: 1.3353295288064326
Energy: 1.355793785692962
Energy: 1.3539111683168084
Energy: 1.2648978902933212
Energy: 1.263875765691279
Energy: 1.3148590941072735
Energy: 1.3159152941558758
Energy: 1.3152235315361764
Energy: 1.3508890135437714
Energy: 1.3229506607056625
Energy: 1.3531998285274283
Energy: 1.339202081420122
Energy: 1.3539216286374756
Energy: 1.3022557594596371
Energy: 1.2637353030697687
Energy: 1.2641477275274067
Energy: 1.3075439319031525
Energy: 1.2579238581167118
Energy: 1.4488000824583693
Energy: 1.379189690874872
Energy: 1.3187244510386416
Energy: 1.2840282117605932
Energy: 1.2774108356718448
Energy: 1.2827522079610352
Energy: 1.2825141754636433
Energy: 1.264168860200855
Energy: 1.3079352007007652
Energy: 1.4507581428256482
Energy: 1.255843773670633
Energy: 1.303747722357256
Energy: 1.238021019060993

minimum gb energy = 1.2357723683107131 eV
minimum distance =  2.25821672652113 Angstroms
sigma value = 437


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

Energy: 1.5848719835916505
Energy: 1.2455551545640982
Energy: 1.2825346723997992
Energy: 1.2686759822788711
Energy: 1.3497170175331308
Energy: 1.3170194012244572
Energy: 1.2607863182133834
Energy: 1.2896838576467395
Energy: 1.2782352671633725
Energy: 1.2492993916501196
Energy: 1.3187572402622711
Energy: 1.2713390959856472
Energy: 1.3487601632650008
Energy: 1.3548512829704051
Energy: 1.281270626123101
Energy: 1.2419969535197912
Energy: 1.2848769878876503
Energy: 1.2853959274917979
Energy: 1.3560087492512922
Energy: 1.4223283395412598
Energy: 1.341478502283233
Energy: 1.2622872300349488
Energy: 1.4176039221595043
Energy: 1.2629642808352024
Energy: 1.2724348590906576
Energy: 1.288110047116286
Energy: 1.2887544657821837
Energy: 1.285159623972083
Energy: 1.2680551364647812
Energy: 1.4208858883602384
Energy: 1.317609898223582
Energy: 1.2689210808448643
Energy: 1.3431083532131172
Energy: 1.2638752298584972
Energy: 1.2896537498100382
Energy: 1.2581817612667239
Energy: 1.2900175498006543
Energy: 1.323009378731102
Energy: 1.237158976166844
Energy: 1.2357035196922392
Energy: 1.2843378920602686
Energy: 1.2724329501737894
Energy: 1.263354397023774
Energy: 1.2659927868042342
Energy: 1.31856141294278
Energy: 1.3046696090727747
Energy: 1.2610578883388317
Energy: 1.349377016041242
Energy: 1.3511447475418483
Energy: 1.2742011694653568
Energy: 1.2632061889614805
Energy: 1.431560185640959
Energy: 1.2627100972909107
Energy: 1.3409821844369465
Energy: 1.3498616497413225
Energy: 1.258547214899018
Energy: 1.3006947273265599
Energy: 1.261117121405228
Energy: 1.341861824302103
Energy: 1.2604419241125338
Energy: 1.3468350126140298
Energy: 1.2633544539501087
Energy: 1.2767056809717137
Energy: 1.2681972551367175
Energy: 1.3477141746282089
Energy: 1.3358372899815414
Energy: 1.2611387827827798
Energy: 1.2603741960781036
Energy: 1.3177503496828438
Energy: 1.2740433373847408
Energy: 1.4373668592174647
Energy: 1.2425700824865462
Energy: 1.2670217418047052
Energy: 1.2701689214854714
Energy: 1.2587049769863419
Energy: 1.2579479531554105
Energy: 1.303398699666409
Energy: 1.2884213384607828
Energy: 1.27038408354754
Energy: 1.214592104112777
Energy: 1.3414635770623344
Energy: 1.2662864301122183
Energy: 1.3487383718493005
Energy: 1.351496835109782
Energy: 1.2751061584296535
Energy: 1.2596372258885733
Energy: 1.2872122511532942
Energy: 1.2845807175514161
Energy: 1.2629394013350936
Energy: 1.4325336847596368
Energy: 1.3487446101723797
Energy: 1.2678254770017547
Energy: 1.422421209039557
Energy: 1.343911227649076
Energy: 1.2835510607275076
Energy: 1.282962315983927
Energy: 1.2618771929036863
Energy: 1.242754712234075
Energy: 1.2485155881974046
Energy: 1.4209552460912915
Energy: 1.2657331496841657
Energy: 1.2906564132557818
Energy: 1.2528146615695395
Energy: 1.27917979040552
Energy: 1.2886526503219389
Energy: 1.2584083280009606
Energy: 1.2614640027636357
Energy: 1.2587989211519652
Energy: 1.2373403934399134
Energy: 1.266555261272837
Energy: 1.2752759047690205
Energy: 1.4214823735281343
Energy: 1.263279715833019
Energy: 1.3642866844356374
Energy: 1.2725779848003176
Energy: 1.3164834482487877
Energy: 1.2807002769529903
Energy: 1.3486530019733012
Energy: 1.3426114053370592
Energy: 1.2725882310657686
Energy: 1.2629294154589534
Energy: 1.4194239435868923
Energy: 1.2627793678565997
Energy: 1.339061930622114
Energy: 1.3466141470889188
Energy: 1.2574131028789686
Energy: 1.2765486524594654
Energy: 1.2605508507655065
Energy: 1.3486083954861507
Energy: 1.267052166234612
Energy: 1.43607319375445
Energy: 1.2603231620434752
Energy: 1.28164473244082
Energy: 1.2682104766805395
Energy: 1.3501323108925223
Energy: 1.3503672778734206
Energy: 1.2616779222120384
Energy: 1.3147921245921435
Energy: 1.2423525373976363
Energy: 1.213704488332488

minimum gb energy = 1.213704488332488 eV
minimum distance =  2.29296564882164 Angstroms
sigma value = 33