Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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=2.850243076682091
cohesive_energy=4.290676325982293
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=[1.70678274643386e-19, 2.7031763951184596e-19, 3.4023182128970396e-19, 3.9109932724257e-19, 4.33782914948964e-19, 4.702772943182159e-19, 5.01852991421088e-19, 5.29378385993208e-19, 5.53486337805006e-19, 5.7465269331678e-19, 5.93247555330984e-19, 6.095673265249079e-19, 6.23850731217018e-19, 6.36299643663198e-19, 6.4707908805675e-19, 6.56333260294734e-19, 6.641839258013339e-19, 6.707384304110279e-19, 6.760864960153199e-19, 6.803130379758119e-19, 6.834885520644e-19, 6.85681931876346e-19, 6.86968479713448e-19, 6.873882499915559e-19, 6.8693483400413395e-19, 6.85472046737292e-19, 6.82822046584656e-19, 6.78781357113708e-19, 6.731080496527139e-19, 6.655105280542859e-19, 6.556443243421139e-19, 6.430864638848219e-19, 6.27329056689432e-19, 6.07750458221952e-19, 5.83591236757866e-19, 5.53910914613016e-19, 5.1754310719785e-19, 4.73017016362356e-19, 4.18474117211094e-19, 3.51539983972476e-19, 2.6913202880268595e-19, 1.67222379643848e-19, 4.0439418895150196e-20, -1.1846574140627699e-19, -3.19680701605386e-19, -5.78400184463706e-19, -9.1846377720684e-19, -1.3793763490993258e-18, -2.03101523185644e-18, -3.0073656508496995e-18, -4.594609998620819e-18, -7.47873622278324e-18, -1.352736958205808e-17, -2.85706546081416e-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: 0.015059137661137447
Energy: 0.10221831272982515
Energy: 0.08852922005318016
Energy: 0.08799851993489148
Energy: 0.103661510989457
Energy: 0.10261799431934801
Energy: 0.10299320440544349
Energy: 0.08721579583722687
Energy: 0.08742444220734914
Energy: 0.0177011350534008
Energy: 0.08746360339954647
Energy: 0.08697117586733749
Energy: 0.10278662663888581
Energy: 0.01580387585325816
Energy: 0.016430935507887504
Energy: 0.08723645333367655
Energy: 0.08696940405409757
Energy: 0.1022716730064833
Energy: 0.08680062608547985
Energy: 0.10300798550413924
Energy: 0.08739932371807245
Energy: 0.08698658024835748
Energy: 0.10207538055494053
Energy: 0.015292011123455952
Energy: 0.08778317410912707
Energy: 0.1022840694551945
Energy: 0.01527454315414366
Energy: 0.015433104166914995
Energy: 0.10238620982158855
Energy: 0.08817648394570878
Energy: 0.016695552980742188
Energy: 0.10305895631868492
Energy: 0.08675425092491781
Energy: 0.08722947564471668
Energy: 0.08718524670414668
Energy: 0.10335378500337053
Energy: 0.0161905635998391
Energy: 0.015789827401071377
Energy: 0.08718269581116177
Energy: 0.01526160060674406
Energy: 0.01695300362598566
Energy: 0.08867449595351931
Energy: 0.08737572081069739
Energy: 0.016031413652130656
Energy: 0.015261472435743972
Energy: 0.08676689845958534
Energy: 0.08732565095002869
Energy: 0.08807507129605803
Energy: 0.0868095996815394
Energy: 0.015163230786716506
Energy: 0.08715136134197575
Energy: 0.08689378645510158
Energy: 0.10325798745936178
Energy: 0.015534321412701673
Energy: 0.015308765580594718
Energy: 0.08755469509983534
Energy: 0.01587132662738874
Energy: 0.017179036123996547
Energy: 0.10263186671138655
Energy: 0.08710022146881366
Energy: 0.015287129888262583
Energy: 0.10251045170063915
Energy: 0.08696512893552799
Energy: 0.10303764998974849
Energy: 0.08743951858673837
Energy: 0.10248193554607772
Energy: 0.015698274853664106
Energy: 0.01677775099377549
Energy: 0.10233357916134327
Energy: 0.08714220276509241

minimum gb energy = 0.015059137661137447 eV
minimum distance =  2.46743064919775 Angstroms
sigma value = 3


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

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Energy: 1.248840622484328
Energy: 1.1722701853694586
Energy: 1.2030322264575193
Energy: 1.2596123757339506
Energy: 1.2258025922391085
Energy: 1.2311255325872734
Energy: 1.2576639180853442
Energy: 1.1713489861575133
Energy: 1.250805976180253
Energy: 1.2083590718631867
Energy: 1.2185345121624453
Energy: 1.2440890770161068
Energy: 1.1750958899019766
Energy: 1.2449674703994547
Energy: 1.1738759678191975
Energy: 1.2355156228874664
Energy: 1.247332494009525
Energy: 1.2281947617316165
Energy: 1.2647841543307063
Energy: 1.253470684518082
Energy: 1.1815985566717275
Energy: 1.2625175507310187
Energy: 1.248633522205457
Energy: 1.2178890759424426
Energy: 1.2435678616981092
Energy: 1.1866010556412783
Energy: 1.1600857028988676
Energy: 1.265564989071113
Energy: 1.34684559659175
Energy: 1.2923135713290317
Energy: 1.1774114869101084
Energy: 1.2409441386955131
Energy: 1.215075311576012
Energy: 1.172547394572927
Energy: 1.2133654605212838
Energy: 1.2536527923671648
Energy: 1.2395891535688706
Energy: 1.1766629502700017
Energy: 1.3030409453127003
Energy: 1.4081008651587228
Energy: 1.2145383064306212
Energy: 1.333220585201792
Energy: 1.1784299329655712
Energy: 1.1709084843497755
Energy: 1.2740667561523327
Energy: 1.2496898604156466
Energy: 1.2309251553921523
Energy: 1.1974260261167171
Energy: 1.1814286400742142
Energy: 1.2726879192162002
Energy: 1.2119715125148747
Energy: 1.1709551321599123
Energy: 1.1754789458537858
Energy: 1.1812746467226898
Energy: 1.2351448909035894
Energy: 1.174119715035199
Energy: 1.1769398707869239
Energy: 1.1828168382917648
Energy: 1.213301914228746
Energy: 1.1895110901024413
Energy: 1.1743321267906772
Energy: 1.1744037015783282
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Energy: 1.2233180061441762
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Energy: 1.1796563701485205
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Energy: 1.177375952668695
Energy: 1.2334624966490741
Energy: 1.2205660583394333
Energy: 1.1726353521301989
Energy: 1.2165098931702123
Energy: 1.1713309804701355
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Energy: 1.250221007518685
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Energy: 1.172920200663935
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Energy: 1.164615655672579
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Energy: 1.165602247216625
Energy: 1.2553339289479777
Energy: 1.164654252332716
Energy: 1.2598650130393516
Energy: 1.2559223911817072
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Energy: 1.2340045922281055
Energy: 1.2502065163639784
Energy: 1.281589829843688
Energy: 1.2082012974355962
Energy: 1.1955217737836383
Energy: 1.197490828545109
Energy: 1.2321744026774557
Energy: 1.2134382488652888
Energy: 1.233182928092359
Energy: 1.1839752391533152
Energy: 1.2837453023522338
Energy: 1.282916655972723
Energy: 1.2694803296364956
Energy: 1.1881439397465392
Energy: 1.1938404391354673
Energy: 1.219093604148157
Energy: 1.2304946678815945
Energy: 1.2646827662168032
Energy: 1.2325082363459081
Energy: 1.2599632037868902
Energy: 1.2811799182826638
Energy: 1.2490089577409798
Energy: 1.2013714046388555
Energy: 1.2924486806674118
Energy: 1.176127991031332
Energy: 1.2449656987660682
Energy: 1.1759945183400173
Energy: 1.1869853595240805
Energy: 1.217890328624403
Energy: 1.2695421917648881
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Energy: 1.234808478705933
Energy: 1.1772233786492827
Energy: 1.2488498929226628
Energy: 1.2490682073826644
Energy: 1.17873164870441
Energy: 1.2125624932081576
Energy: 1.1859979207898972
Energy: 1.252362830917756
Energy: 1.2330829868264546
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Energy: 1.1753320809629364
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Energy: 1.2463106647710365
Energy: 1.1739637093489077
Energy: 1.2517441217767624
Energy: 1.2346822987985824
Energy: 1.2639588248059943
Energy: 1.1903190519403386
Energy: 1.1763477419613415
Energy: 1.2252179844568496
Energy: 1.2699690242765878
Energy: 1.3434913739097878
Energy: 1.177538520692421
Energy: 1.1776243131007493
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Energy: 1.2625767238052024
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Energy: 1.1771490623587175
Energy: 1.1673404603843445
Energy: 1.3161040453041504
Energy: 1.174797905248052
Energy: 1.180339918506086
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Energy: 1.229955289399255
Energy: 1.1740642623218969
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Energy: 1.1763314667625537
Energy: 1.1745619535440206
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Energy: 1.223238300048381
Energy: 1.1635977558209751
Energy: 1.2661503929544267
Energy: 1.2199617820026238
Energy: 1.1752993178854414
Energy: 1.1744583373872155
Energy: 1.1783733550020659
Energy: 1.21827204102181
Energy: 1.171182898518191
Energy: 1.2004207102204825
Energy: 1.2139030131714912
Energy: 1.2184372232352678
Energy: 1.2731333949308234
Energy: 1.1912896390477703
Energy: 1.175504992584083
Energy: 1.2359783176466979
Energy: 1.2272144078795257
Energy: 1.1654213881216724
Energy: 1.1611996420335344
Energy: 1.1620716767457124
Energy: 1.200503646788685
Energy: 1.1748464840200155
Energy: 1.1756741249697662
Energy: 1.173007058623505
Energy: 1.2043168798557873
Energy: 1.1737094839526818
Energy: 1.2294950597110235
Energy: 1.1633592592306314
Energy: 1.1613644812142838
Energy: 1.2280009072702966
Energy: 1.1745401111978186
Energy: 1.1750876095244456
Energy: 1.217813457276963
Energy: 1.2138436092429195
Energy: 1.2134419239879541
Energy: 1.1792527403676991
Energy: 1.180464446475084
Energy: 1.2648158656983197
Energy: 1.1781070277939247
Energy: 1.2315977554894897
Energy: 1.1749841345031795
Energy: 1.226793387597469
Energy: 1.2167994706407068
Energy: 1.2141478012068705
Energy: 1.2129770608949832
Energy: 1.1908064615004075
Energy: 1.1627323860645726
Energy: 1.2299843811890745
Energy: 1.174080338757722
Energy: 1.2268868677414728
Energy: 1.2703321526760576
Energy: 1.2196304217843732
Energy: 1.1785658872277036
Energy: 1.1662443413318093
Energy: 1.259995900081276
Energy: 1.2396174576078411
Energy: 1.2480992289199444
Energy: 1.23087000839031
Energy: 1.2011172898228828
Energy: 1.1747021305013101
Energy: 1.2091561837887423
Energy: 1.2651833019980292
Energy: 1.1776297428922102
Energy: 1.2109382992957767
Energy: 1.3246588203279952
Energy: 1.1770478203865418
Energy: 1.3400341889737635
Energy: 1.2601060489999476
Energy: 1.2447741362924198
Energy: 1.2114308701442689
Energy: 1.2896447610339685
Energy: 1.2015136607048045
Energy: 1.18009116708795
Energy: 1.2071884463878193
Energy: 1.235444620235681
Energy: 1.1768740157587692
Energy: 1.232644770083015
Energy: 1.2457032757517852
Energy: 1.2005329151430661
Energy: 1.2686754971925844

minimum gb energy = 1.1600857028988676 eV
minimum distance =  2.24024082685054 Angstroms
sigma value = 75


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

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Energy: 1.2510868304573788
Energy: 1.2763280208116825
Energy: 1.1681375267148026
Energy: 1.24645487004581
Energy: 1.227970291328948
Energy: 1.2267348801898128
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Energy: 1.2900493177097456
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Energy: 1.2637210426270409
Energy: 1.2445613620147964
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Energy: 1.2301651178399866
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Energy: 1.1853916406114913
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Energy: 1.2394467817104051
Energy: 1.2438544020679563
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Energy: 1.2470695189860088
Energy: 1.2157900694862331
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Energy: 1.245659800548232
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Energy: 1.284521001892821
Energy: 1.2377703545171272
Energy: 1.2500652307453433
Energy: 1.2194359756061588
Energy: 1.2269934944945105
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Energy: 1.2823149326872345
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Energy: 1.2163653222240651
Energy: 1.2177676415588599
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Energy: 1.219692865177625
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Energy: 1.221303711677162
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Energy: 1.2179553593029702
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Energy: 1.228972384931829
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Energy: 1.2803184943035402
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Energy: 1.2346035865211586
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Energy: 1.1847780149572937
Energy: 1.2809637352229535
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Energy: 1.224909975268416
Energy: 1.185147727318249
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Energy: 1.185346308368514
Energy: 1.2322610301523658
Energy: 1.2228131194455694
Energy: 1.2523668177423404
Energy: 1.2526862063349449
Energy: 1.2507362077208548
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Energy: 1.1921966780029882
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Energy: 1.2512026555031148
Energy: 1.1763576467678485
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Energy: 1.211995380286994
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Energy: 1.185287724559724
Energy: 1.22927099860933
Energy: 1.1597001757988785
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Energy: 1.2515733334443577
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Energy: 1.2897819430807032
Energy: 1.2759311719080222
Energy: 1.1961607475882619
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minimum gb energy = 1.159135004502738 eV
minimum distance =  2.21987271655798 Angstroms
sigma value = 105


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

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Energy: 1.3637264936819704
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Energy: 1.2091857716642547
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Energy: 1.206102653156838
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Energy: 1.216562534454549
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Energy: 1.2707979299376169
Energy: 1.1353863427283861
Energy: 1.2560354493413168
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Energy: 1.2849433754879183
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Energy: 1.2161182134230708
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Energy: 1.2363855823355545
Energy: 1.1272635455356474
Energy: 1.1708234575518461
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Energy: 1.2222875806340865
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Energy: 1.1355997940040081
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Energy: 1.2172636730609958
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Energy: 1.2224297976474081
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Energy: 1.2616008825974092
Energy: 1.2266186669621444
Energy: 1.2833059119377457
Energy: 1.2050082076792732
Energy: 1.1963060134076873
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Energy: 1.3961295678783747
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Energy: 1.234473481830862
Energy: 1.204631705564281
Energy: 1.2741204006169307
Energy: 1.261992127081253
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Energy: 1.2535744160619842
Energy: 1.1892330757601297
Energy: 1.189159015557458
Energy: 1.2238340127297491
Energy: 1.2629501420403348
Energy: 1.236056462824655
Energy: 1.17785989121204
Energy: 1.0902236644090602
Energy: 1.1650346084666685
Energy: 1.127482890439945
Energy: 1.2294767532128148
Energy: 1.2304010562367735
Energy: 1.1876120163874315
Energy: 1.2127584192612273
Energy: 1.2620639143603294
Energy: 1.2359195783606127
Energy: 1.206757382520286
Energy: 1.1745917755868358
Energy: 1.3904057729083883
Energy: 1.2297659167996347
Energy: 1.2252718516584142
Energy: 1.2622561820030758
Energy: 1.2264095798411214
Energy: 1.2618003054289895
Energy: 1.1814749763127963
Energy: 1.3889019741318207
Energy: 1.1822055722830054
Energy: 1.3868933375961263
Energy: 1.161541111987956
Energy: 1.2258531958728949
Energy: 1.2530955194443405
Energy: 1.2128279919662786
Energy: 1.166134883827488
Energy: 1.134572390478791
Energy: 1.2042420137663545
Energy: 1.2068111354256938
Energy: 1.1766960691047736
Energy: 1.205436618967038
Energy: 1.212794071862288
Energy: 1.2083758013516737
Energy: 1.2147689059947497
Energy: 1.2147303594249999
Energy: 1.161693185779715
Energy: 1.271111551174147
Energy: 1.124329879737961
Energy: 1.2077666753829384
Energy: 1.1343509611915141
Energy: 1.156760993803191
Energy: 1.2100999521220004
Energy: 1.2118842615525418
Energy: 1.1665788817431904
Energy: 1.2051854897959025
Energy: 1.2400875653723304
Energy: 1.207648476717163
Energy: 1.253656685775965
Energy: 1.2705887451344169
Energy: 1.3511782613732692
Energy: 1.149250898397871
Energy: 1.243445022998099
Energy: 1.2187086917090275
Energy: 1.1608661000095017
Energy: 1.1992819691907581
Energy: 1.1579014140731068
Energy: 1.207256172068741
Energy: 1.2196523922481721
Energy: 1.3511840021949544
Energy: 1.2431428969836098
Energy: 1.2252632868676683
Energy: 1.1352415742531672
Energy: 1.3645524580569743
Energy: 1.2080475483555475
Energy: 1.1294545311379116
Energy: 1.1521378209609396
Energy: 1.1270594082645218
Energy: 1.2059407460076705
Energy: 1.1271447935766394
Energy: 1.138703243682669
Energy: 1.2189030824428753
Energy: 1.1679789895747263
Energy: 1.1591246438674225
Energy: 1.1656411088449847
Energy: 1.2027585264830405
Energy: 1.2238223302536029
Energy: 1.1614971891847856

minimum gb energy = 1.079982556751164 eV
minimum distance =  2.24832061770715 Angstroms
sigma value = 165


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

Energy: 1.3377752107857894
Energy: 1.1866748531719282
Energy: 1.1739015001976842
Energy: 1.1961892739464122
Energy: 1.1879256652594758
Energy: 1.1729544643290397
Energy: 1.1738149862602547
Energy: 1.1732159048049196
Energy: 1.1739699427780426
Energy: 1.1996871920145118
Energy: 1.1995435244909791
Energy: 1.1732277325070353
Energy: 1.254983840049675
Energy: 1.1873295291123223
Energy: 1.2537857438705537
Energy: 1.175172670471239
Energy: 1.1766925311357197
Energy: 1.1738045678633908
Energy: 1.1724881529401754
Energy: 1.1887050954526517
Energy: 1.199426768646568
Energy: 1.2015599870471567
Energy: 1.1862930779362681
Energy: 1.245490101143626
Energy: 1.1865502718077694
Energy: 1.2542163745537502
Energy: 1.201917375384543
Energy: 1.179704337990515
Energy: 1.2516961556718407
Energy: 1.1804659989563888
Energy: 1.2364629934528393
Energy: 1.189158241280299
Energy: 1.1865177896686943
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Energy: 1.1752090845181857
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Energy: 1.1740778751132166
Energy: 1.1898930600641962
Energy: 1.190493190880742
Energy: 1.187159104283995
Energy: 1.2003214573529795
Energy: 1.1881398835231083
Energy: 1.1736335442746695
Energy: 1.1738608260522116
Energy: 1.1738316512289029
Energy: 1.1714542547034006
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Energy: 1.1866175547854725
Energy: 1.1992943684279782
Energy: 1.2022021237054394
Energy: 1.180548966060087
Energy: 1.1879674596678493
Energy: 1.1741842525019766
Energy: 1.172167449343457
Energy: 1.174358223411832
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Energy: 1.1642418771062115
Energy: 1.2021551006471667
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Energy: 1.1970943047565907
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Energy: 1.1997592114449844
Energy: 1.1907556616891664
Energy: 1.1724512750953981
Energy: 1.1743317223357048
Energy: 1.1744415952821767
Energy: 1.1726981047111185
Energy: 1.173643958670191
Energy: 1.1741406410171993
Energy: 1.209529583987172
Energy: 1.1918292472961742
Energy: 1.1838323543350884
Energy: 1.17714250855896
Energy: 1.266430462187918
Energy: 1.1855591806314298
Energy: 1.173768976580315
Energy: 1.1910768438657173
Energy: 1.1973587258692293
Energy: 1.1997678158570892
Energy: 1.1870416898280396
Energy: 1.1745339299959938
Energy: 1.1681904074325111
Energy: 1.1879055017473987
Energy: 1.1881831194022818
Energy: 1.1745690612975894
Energy: 1.1844661267060232
Energy: 1.2012809429896498
Energy: 1.1948581094572204
Energy: 1.1979910827678675
Energy: 1.2021437987101702
Energy: 1.1929596348894886
Energy: 1.2441494470064873
Energy: 1.194843435169743
Energy: 1.1734323085656384
Energy: 1.1738871356187588
Energy: 1.1859635360267822
Energy: 1.2001457044485102
Energy: 1.2017763624036835
Energy: 1.1966151065307553
Energy: 1.1972901020629017
Energy: 1.180325571229055
Energy: 1.1850685219992816
Energy: 1.1746737098526652
Energy: 1.1733029905233034
Energy: 1.1738287222349193
Energy: 1.1878069229364245
Energy: 1.1812974365960605
Energy: 1.201865566832757
Energy: 1.1992301540979864
Energy: 1.187269114092277
Energy: 1.1737411967020055
Energy: 1.1718655385132766
Energy: 1.1733654874480142
Energy: 1.1880830847462625
Energy: 1.1794980414387535
Energy: 1.1876334618519773
Energy: 1.1666004741041092
Energy: 1.1907061082999209
Energy: 1.2643236655018086
Energy: 1.1899282405286564
Energy: 1.1735750622313144
Energy: 1.172602501440331
Energy: 1.1751245488953497
Energy: 1.178442595652038
Energy: 1.1896534569785087
Energy: 1.204508455636643
Energy: 1.1981198259424959
Energy: 1.1809923025134936
Energy: 1.25177153726009
Energy: 1.1716420970483155
Energy: 1.1771325302376505
Energy: 1.252225250251897
Energy: 1.1716132938948782

minimum gb energy = 1.1642418771062115 eV
minimum distance =  2.24843365550805 Angstroms
sigma value = 41


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

Energy: 2.613464241662736
Energy: 1.1580203751725844
Energy: 1.3064074840062945
Energy: 1.1034668000757015
Energy: 1.1138428024986837
Energy: 1.27295369278959
Energy: 1.272315730879727
Energy: 1.2233858063215703
Energy: 1.2185547158203949
Energy: 1.1112733981207714
Energy: 1.1187832922349235
Energy: 1.1565450413280254
Energy: 1.1437885096629568
Energy: 1.1216154113420893
Energy: 1.1614417246163753
Energy: 1.353300151392651
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Energy: 1.2388869223746595
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Energy: 1.123050564004826
Energy: 1.1192086314657852
Energy: 1.2713868181845058
Energy: 1.1153828212692711
Energy: 1.1235047967017826
Energy: 1.1449249538198507
Energy: 1.1489697912399455
Energy: 1.14809975246451
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Energy: 1.1487253399890567
Energy: 1.1521982388551841
Energy: 1.161773825879666
Energy: 1.1193293725420401
Energy: 1.1227216394281425
Energy: 1.0970925760127146
Energy: 1.1288986263484706
Energy: 1.1039061942055106
Energy: 1.2386058034711578
Energy: 1.1689360755007372
Energy: 1.3166129615087956
Energy: 1.1222402637263456
Energy: 1.1192697191957481
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Energy: 1.1229336950379514
Energy: 1.0963648051729629
Energy: 1.0900712221164612
Energy: 1.0888247704178422
Energy: 1.0909764461916822
Energy: 1.2183955827089317
Energy: 1.1970183995792316
Energy: 1.2716698512253197
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Energy: 1.1151312929907318
Energy: 1.0892554259600824
Energy: 1.0908462251690347
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Energy: 1.125041446512045
Energy: 1.1202629895216418
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Energy: 1.3971229074245468
Energy: 1.0436721212687332
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Energy: 1.1688765456600079
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Energy: 1.1273829666776134
Energy: 1.3956041991071366
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Energy: 1.043816213887259
Energy: 1.3983532005429797
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Energy: 1.1879393992461866
Energy: 1.208815469430502
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Energy: 1.2961089737450133
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Energy: 1.126006104120648
Energy: 1.2709085285465407
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Energy: 1.0943472509024548
Energy: 1.105355924665741
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Energy: 1.1949148983702182
Energy: 1.152079608375994
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Energy: 1.2718739545181736
Energy: 1.1170818860286786
Energy: 1.1288170145944543
Energy: 1.1049252382341825
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Energy: 1.1211803165528984
Energy: 1.1395162122669589
Energy: 1.378196561750822
Energy: 1.1077528478454348
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Energy: 1.2087090110738095
Energy: 1.1271864813487278
Energy: 1.159245356032601
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Energy: 1.1110116366386178
Energy: 1.132142733345596
Energy: 1.0454748303733885
Energy: 1.3989937436394222
Energy: 1.19736554695864
Energy: 1.2410842929570285
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Energy: 1.2712388643448607
Energy: 1.2202911135458925
Energy: 1.2314785915684978
Energy: 1.1015795469833274
Energy: 1.1061404984450813
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Energy: 1.3050100066035941
Energy: 1.290075098833236
Energy: 1.122863855493422
Energy: 1.1413958949211869
Energy: 1.3424132570923726
Energy: 1.1682907943121108
Energy: 1.1337792561744127
Energy: 1.1302786052800524
Energy: 1.1357578571509135
Energy: 1.2867795060075886
Energy: 1.1292440280855987
Energy: 1.1352984034446492
Energy: 1.1104464644949084
Energy: 1.1079945589608575
Energy: 1.1363930229162154
Energy: 1.222131884545988
Energy: 1.1947552185008057
Energy: 1.1410918382873156
Energy: 1.1329931428467728
Energy: 1.1328831638500105
Energy: 1.1330697656782016
Energy: 1.098388764277697
Energy: 1.1087172413446227
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Energy: 1.230518740893092
Energy: 1.1324483783330976
Energy: 1.272635651018662
Energy: 1.2865151532787955
Energy: 1.2855623847526831
Energy: 1.1325418479050255
Energy: 1.132727254131697
Energy: 1.1039214468838119
Energy: 1.1418297762214342
Energy: 1.145807864939561
Energy: 1.1024508875452608
Energy: 1.1366149173554088
Energy: 1.1211288094648442
Energy: 1.0658542178241537
Energy: 1.1286151673051665
Energy: 1.1901375770637401
Energy: 1.1303430018451832
Energy: 1.1019857535847541
Energy: 1.1025787849464197
Energy: 1.1552623597968128
Energy: 1.1049248053726262
Energy: 1.1295967887963796
Energy: 1.2849945304166923
Energy: 1.1197741473183007
Energy: 1.2386013006023353
Energy: 1.3959891211728768
Energy: 1.0430493365950744
Energy: 1.158759028694473
Energy: 1.1332359547555124
Energy: 1.1105655855813754
Energy: 1.1337724466173895
Energy: 1.2034521032528862
Energy: 1.312766992462953
Energy: 1.2315519895765787
Energy: 1.2319205319363036
Energy: 1.1028180377960655
Energy: 1.1103672505546585
Energy: 1.286831439396208
Energy: 1.1391105726713202
Energy: 1.290262511687415
Energy: 1.2842000674944933
Energy: 1.1396091514498154
Energy: 1.1357573030325507
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Energy: 1.1026899873633267
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Energy: 1.1222843272477743
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Energy: 1.2562641774575565
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Energy: 1.1036665674572734
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Energy: 1.2469623396811633
Energy: 1.1203681906586629
Energy: 1.138590220248058
Energy: 1.3945244633600749
Energy: 1.0427482934678607
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Energy: 1.231420726838086
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Energy: 1.119583734158303
Energy: 1.1148704302845678
Energy: 1.2206699157168395
Energy: 1.1146352344295494
Energy: 1.0903068200760306
Energy: 1.0940443044548132
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Energy: 1.1178909458698205
Energy: 1.11880097166354
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Energy: 1.2846662148262697
Energy: 1.1312897283507333
Energy: 1.130269112425391
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Energy: 1.1052026849857965
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Energy: 1.1244123272191053
Energy: 1.1327192546693448
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Energy: 1.1963632447411927
Energy: 1.2571864931709584
Energy: 1.0906689913811998
Energy: 1.0811420173260584
Energy: 1.165963185385106
Energy: 1.2852346800624888
Energy: 1.1175649767723248
Energy: 1.1631964760972902
Energy: 1.196914629720867
Energy: 1.2987394415453286
Energy: 1.1373983540754116
Energy: 1.1199695921703776
Energy: 1.0905462602892626
Energy: 1.1162240779999684
Energy: 1.2719284383955953
Energy: 1.1246231792898902
Energy: 1.0894949433858276
Energy: 1.1243315237766622
Energy: 1.0979702889248868
Energy: 1.194608377692676
Energy: 1.2290993365585303
Energy: 1.3304045777861366
Energy: 1.1319857615776037
Energy: 1.1190966490541652
Energy: 1.1214476821781896
Energy: 1.1260753115037845
Energy: 1.08938836873007
Energy: 1.1212135546216047
Energy: 1.125297969929389
Energy: 1.2534650858418046
Energy: 1.2254914025835932
Energy: 1.2124954300816166
Energy: 1.2787428468025857
Energy: 1.2721028441722935
Energy: 1.1174627886055706
Energy: 1.1187342086953553
Energy: 1.1232792157021099
Energy: 1.1211450644542797
Energy: 1.2543850314511398
Energy: 1.1245097829686808
Energy: 1.144241273366283
Energy: 1.1193887840788839
Energy: 1.3859194284672143
Energy: 1.2780403035751142
Energy: 1.1199363070960666
Energy: 1.1175348758278396
Energy: 1.2719069752618009
Energy: 1.2472183057675708
Energy: 1.212075256833579
Energy: 1.1239605133599793
Energy: 1.1162526343111485
Energy: 1.279416863035661
Energy: 1.1232535056444395
Energy: 1.1463301738901526
Energy: 1.2442930551694327

minimum gb energy = 1.0427482934678607 eV
minimum distance =  2.23614992310364 Angstroms
sigma value = 185


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

Energy: 2.65784943273163
Energy: 1.2074712567656203
Energy: 1.3796986399332656
Energy: 1.2205184191140699
Energy: 1.2678518962468253
Energy: 1.3157763869707415
Energy: 1.4070458597202995
Energy: 1.3341075491134913
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Energy: 1.2949268106140934
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Energy: 1.260432507948378
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Energy: 1.3990900027342439
Energy: 1.4328969708147559
Energy: 1.3131644629449855
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Energy: 1.1902795351962072
Energy: 1.315127265759283
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Energy: 1.2983487034383074
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Energy: 1.3218042847663356
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Energy: 1.1550023094986694
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Energy: 1.1601958496251017
Energy: 1.350680659446404
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Energy: 1.2369213692167906
Energy: 1.4027182909076463
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Energy: 1.1856927118583223
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Energy: 1.308277269593705
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Energy: 1.1680851649242645
Energy: 1.3896253890070374
Energy: 1.4314323652357601
Energy: 1.2074474848143162
Energy: 1.3182209642585052
Energy: 1.317207493258511
Energy: 1.3795648018975935
Energy: 1.2129358155706291
Energy: 1.175129070382874
Energy: 1.1530715671185958
Energy: 1.1606818043184797
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Energy: 1.1589253511120448
Energy: 1.1439992430639758
Energy: 1.1291542680422668
Energy: 1.3315133229887663
Energy: 1.2000076205810708
Energy: 1.342915154120237
Energy: 1.2033554272489637
Energy: 1.1665249249596092
Energy: 1.4155931175597078
Energy: 1.4119211639178317
Energy: 1.160053695798839
Energy: 1.3976617458056506
Energy: 1.3078448262403546
Energy: 1.3403779246039111
Energy: 1.2073914856195282
Energy: 1.1572510487823366
Energy: 1.182119996648992
Energy: 1.1768438283559253
Energy: 1.3670122524249206
Energy: 1.388044089391631
Energy: 1.4090088463167616
Energy: 1.1637405722561607
Energy: 1.166463955653311
Energy: 1.333485722349383
Energy: 1.391648169170788
Energy: 1.2211769166473214
Energy: 1.2043049753641115
Energy: 1.3106451002258332
Energy: 1.1606356405951308
Energy: 1.1595933677788457
Energy: 1.1489229532138492
Energy: 1.1632466571410243
Energy: 1.2094734712734565
Energy: 1.19860001087415
Energy: 1.2118495059878225
Energy: 1.209972939429166
Energy: 1.2668319570644875
Energy: 1.4027888552562482
Energy: 1.3884391096350086
Energy: 1.3881504100618363
Energy: 1.311634290172966
Energy: 1.2959105749724502
Energy: 1.3346482377675026
Energy: 1.2098193391828944
Energy: 1.1711596318031368
Energy: 1.2091090158860112
Energy: 1.1814267722090912
Energy: 1.1762035209917994
Energy: 1.299069277214104
Energy: 1.3928703947932093
Energy: 1.3592094330608702
Energy: 1.3169448056294415
Energy: 1.3729622062529905
Energy: 1.3739646697263195
Energy: 1.2209586853310654
Energy: 1.262484733150605
Energy: 1.1588242951275867
Energy: 1.2991690495876744
Energy: 1.1765445816228906
Energy: 1.1821201749248604
Energy: 1.137922121589158

minimum gb energy = 1.1250420455190546 eV
minimum distance =  2.24252272924744 Angstroms
sigma value = 33


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

Energy: 1.3412743455164924
Energy: 1.1790675647413165
Energy: 1.2312440252868804
Energy: 1.1627729759134173
Energy: 1.2176576962897074
Energy: 1.3317707423553216
Energy: 1.3245964747226102
Energy: 1.1824771356086219
Energy: 1.2494855447749937
Energy: 1.1357693780041136
Energy: 1.1707488479747055
Energy: 1.3145762161561334
Energy: 1.2649358895755223
Energy: 1.2118732351837826
Energy: 1.2117092297951912
Energy: 1.2769607712288573
Energy: 1.2913060137666281
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Energy: 1.1946052579685598
Energy: 1.1597399396502148
Energy: 1.169512314398907
Energy: 1.2235637405199906
Energy: 1.1916484133653944
Energy: 1.2125343734148588
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Energy: 1.1537798454285813
Energy: 1.1602163561422907
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Energy: 1.1597495882913236
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Energy: 1.174707808521116
Energy: 1.1909111613977175
Energy: 1.17039073070557
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Energy: 1.145473180572139
Energy: 1.2132405994181723
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Energy: 1.177597275868083
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Energy: 1.170068583396085
Energy: 1.1699070713122954
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Energy: 1.1303917983262046
Energy: 1.2853485961559636
Energy: 1.1780892287424156
Energy: 1.2776299887154041
Energy: 1.1753987892856905
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Energy: 1.1945403100785672
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Energy: 1.253699491637613
Energy: 1.1846405855295543
Energy: 1.241478942618841
Energy: 1.1927490919916226
Energy: 1.192296742300978
Energy: 1.265576523855978
Energy: 1.1847068113040835
Energy: 1.1928875984948377
Energy: 1.3338188631008356
Energy: 1.33205059299678
Energy: 1.3030753660597807
Energy: 1.2134069261651272
Energy: 1.1559731457715816
Energy: 1.1791277546032992
Energy: 1.2776555207442566
Energy: 1.279738407876681
Energy: 1.212016351669888
Energy: 1.211438715222043
Energy: 1.2799090695074014
Energy: 1.1427561876200922
Energy: 1.1602234459371457
Energy: 1.1417453352443683
Energy: 1.1460726231454892
Energy: 1.1775936127219417
Energy: 1.1551784331489787
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Energy: 1.1815047403983827
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Energy: 1.2511807523964593
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Energy: 1.2734154499508907
Energy: 1.1774054772418876
Energy: 1.2440023843581358
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Energy: 1.3100894882441723
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Energy: 1.1899421655797007
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Energy: 1.200655578116149
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Energy: 1.1573807345794
Energy: 1.2464555081032975
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Energy: 1.2765101087708792
Energy: 1.1726708566158155
Energy: 1.1691577085387197
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Energy: 1.154288135085395
Energy: 1.161504298607251
Energy: 1.1901239416649207
Energy: 1.16535244077386
Energy: 1.182014772312592
Energy: 1.3246938804315607
Energy: 1.3399888824067996
Energy: 1.1516317460403966
Energy: 1.1707001588694106
Energy: 1.1497680166213
Energy: 1.1900439907055025
Energy: 1.1704483346203798
Energy: 1.190218214544926
Energy: 1.2024428702211285
Energy: 1.156752506650011
Energy: 1.184601866049344
Energy: 1.217268953263818
Energy: 1.1992513299682879
Energy: 1.1445683093104706
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Energy: 1.2659967427097627
Energy: 1.3269051282745148
Energy: 1.2415745659133213
Energy: 1.2634581022943385
Energy: 1.1347535306156995

minimum gb energy = 1.1139521221681385 eV
minimum distance =  2.24209202514044 Angstroms
sigma value = 219


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

Energy: 2.065623729282505
Energy: 1.1166955607002191
Energy: 1.1206685843382513
Energy: 1.1077109522999289
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Energy: 1.0960789043998915
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Energy: 1.1157467903439784
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Energy: 1.107741299353689
Energy: 1.1053569778488572
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Energy: 1.1061518560938814
Energy: 1.1911372597472638
Energy: 1.1437343630576624
Energy: 1.128261349813538
Energy: 1.1205394856590793
Energy: 1.104206918257516
Energy: 1.1205684421568791
Energy: 1.144174564554766
Energy: 1.1092608976522147
Energy: 1.0838420201340608
Energy: 1.1109734251069199
Energy: 1.1449318343341572
Energy: 1.106821131722935
Energy: 1.1047417555572383
Energy: 1.1911677920893997
Energy: 1.0624138593793535
Energy: 1.1440741598266377
Energy: 1.143864060949037
Energy: 1.106753583671271
Energy: 1.0867309152068045
Energy: 1.1044767323060152
Energy: 1.0626110958849422
Energy: 1.0628226291623692
Energy: 1.1191071551363936
Energy: 1.1201582228528553

minimum gb energy = 1.0624138593793535 eV
minimum distance =  2.28336722268943 Angstroms
sigma value = 15


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

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Energy: 1.3034680468331779
Energy: 1.3008642006383575
Energy: 1.2879333244647126
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Energy: 1.352779192092814
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Energy: 1.298590016333785
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Energy: 1.4365160200947962
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Energy: 1.2907330284845762
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Energy: 1.2982524098837867
Energy: 1.3009923932475467
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Energy: 1.2843628537988212
Energy: 1.2873526339060934
Energy: 1.2822989168043033
Energy: 1.322875435584921
Energy: 1.2875843030536014
Energy: 1.2888361383257558
Energy: 1.2861903679468192
Energy: 1.3008119099849809
Energy: 1.3197475242550945
Energy: 1.2872087307854359
Energy: 1.2842303854717492
Energy: 1.2906411650753662
Energy: 1.300126601260454
Energy: 1.2920865228873595
Energy: 1.3021535747423163
Energy: 1.3006239321757016
Energy: 1.3003700347092273
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Energy: 1.3193125758600162
Energy: 1.3253310507951526
Energy: 1.44071357937994
Energy: 1.4394924539759566
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minimum gb energy = 1.2657781034189748 eV
minimum distance =  2.21486858436419 Angstroms
sigma value = 293


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

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Energy: 1.3089805209559913
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Energy: 1.325692039821174
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Energy: 1.3141352297274789
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Energy: 1.4674100804054617
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Energy: 1.317264584750478
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Energy: 1.3275501997291137
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Energy: 1.3278492141605767
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Energy: 1.3119073974616606
Energy: 1.291239741150078
Energy: 1.419859342707996
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Energy: 1.3217042567258186
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Energy: 1.3309008211391502
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Energy: 1.3272730286546015
Energy: 1.3107388731544958
Energy: 1.3337078581517898
Energy: 1.4023668218712158
Energy: 1.3340050841456377
Energy: 1.306215484327108
Energy: 1.3281107745607097
Energy: 1.2852187182574712
Energy: 1.3623116872825682
Energy: 1.388365229723919
Energy: 1.2782145388055297
Energy: 1.2930075931690466
Energy: 1.2942806450595146
Energy: 1.3297206342374324
Energy: 1.2903370017150504
Energy: 1.3115773617033208
Energy: 1.3112789779728637
Energy: 1.2937816279279306
Energy: 1.292832667237253
Energy: 1.2681794442864058
Energy: 1.3042323529941309
Energy: 1.2916944221587447
Energy: 1.2853396678205433
Energy: 1.300266048706781
Energy: 1.4051506455760645
Energy: 1.3801193214407756
Energy: 1.4752666596832646
Energy: 1.345201842839282
Energy: 1.2992938779416032
Energy: 1.2674595672903364
Energy: 1.2687472176818742
Energy: 1.2914730854988075
Energy: 1.344511199732445
Energy: 1.3116000837016708
Energy: 1.4187470884108726
Energy: 1.3421355105420751
Energy: 1.2763046878370337
Energy: 1.308558172197703
Energy: 1.397326501142837
Energy: 1.2685450528124107
Energy: 1.2812953975040546
Energy: 1.2921642799625526
Energy: 1.3182468085922965
Energy: 1.303733125676922
Energy: 1.3290891284601167
Energy: 1.3057408616343409

minimum gb energy = 1.2597184170583562 eV
minimum distance =  2.23659596973788 Angstroms
sigma value = 293


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

Energy: 1.6588176211638925
Energy: 1.158257493614785
Energy: 1.1571108591384844
Energy: 1.1580405422413669
Energy: 1.1570221397572624
Energy: 1.3279082398752056
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Energy: 1.1578699158934753
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Energy: 1.157059560037767
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Energy: 1.2840285755348735
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Energy: 1.157315035154499
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Energy: 1.0687768685127104
Energy: 1.0690120402039023
Energy: 1.2855193545776171
Energy: 1.2918185001819633
Energy: 1.1399218354642224
Energy: 1.2927366756023952
Energy: 1.1573866264347306
Energy: 1.156223175507796
Energy: 1.158566231708617
Energy: 1.2930451349513694
Energy: 1.469540934382236
Energy: 1.0684295122110339
Energy: 1.1548110051154155
Energy: 1.1584860329116966
Energy: 1.3530723053114249
Energy: 1.1578631027343815
Energy: 1.1567083893555425
Energy: 1.1578561060990629
Energy: 1.2935484041660867
Energy: 1.1578745806637
Energy: 1.1564173050640973
Energy: 1.1578365129440242
Energy: 1.3272551390751328
Energy: 1.1563141091050615
Energy: 1.3511143459880535
Energy: 1.3553007132360564
Energy: 1.288405327767274
Energy: 1.157009859283853
Energy: 1.1548198182976313
Energy: 1.1569380866809371
Energy: 1.2832803342232884
Energy: 1.2932911834803555
Energy: 1.157246972925135
Energy: 1.1562123862116316
Energy: 1.1615511130736256
Energy: 1.2878245252811054
Energy: 1.158578690840393
Energy: 1.294147821833677
Energy: 1.32312622122478
Energy: 1.1574744155901913
Energy: 1.1578189168383213
Energy: 1.1574541984531683
Energy: 1.0680687864068272
Energy: 1.4676442675530317
Energy: 1.1571225802207845
Energy: 1.158153027467118
Energy: 1.2716674804269208
Energy: 1.156147794332477
Energy: 1.1527096983711556
Energy: 1.1568858281635763
Energy: 1.327422368170495
Energy: 1.2933278388915959
Energy: 1.0699065097285285
Energy: 1.1559345229327347
Energy: 1.326973747321589
Energy: 1.1570657034977636
Energy: 1.15756837184222
Energy: 1.2869269359522446
Energy: 1.2865498288230552
Energy: 1.1578050690243529
Energy: 1.1586533726972439
Energy: 1.1585017023395923
Energy: 1.1569812997916373
Energy: 1.3785960392331063
Energy: 1.0700346943998869
Energy: 1.1583942150924227
Energy: 1.3837886455477548
Energy: 1.353008947399127
Energy: 1.155985681197677
Energy: 1.1543823357459322
Energy: 1.1570159179877981
Energy: 1.2876586401078027
Energy: 1.1574846226451625
Energy: 1.1566101635277624

minimum gb energy = 1.0656969957406284 eV
minimum distance =  2.34610429965076 Angstroms
sigma value = 15


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

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Energy: 1.2501623176504861
Energy: 1.2498192634715117
Energy: 1.25396293522569
Energy: 1.2332041144700152
Energy: 1.2603255005114242
Energy: 1.2220882240300863
Energy: 1.2231651525271927
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Energy: 1.3137547695495586
Energy: 1.2625528117599312
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Energy: 1.2481495161166964
Energy: 1.2803589571997775
Energy: 1.2654859906656932
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Energy: 1.2468244499136585
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Energy: 1.2384717640578586
Energy: 1.195796916094541
Energy: 1.2951652918789844
Energy: 1.2378708745757208
Energy: 1.2372770146501035
Energy: 1.2839132388206314
Energy: 1.262452529536407
Energy: 1.2531529761660893
Energy: 1.2472407724115826
Energy: 1.2538285544254208
Energy: 1.2635169081167539
Energy: 1.3548809334203755
Energy: 1.1956068276863203
Energy: 1.2773940508575532
Energy: 1.2995878077413727
Energy: 1.2080532126880954
Energy: 1.2316390456688053
Energy: 1.2454860641142784
Energy: 1.256864824074416
Energy: 1.2457705704791127
Energy: 1.2993781654972416
Energy: 1.351107334176568
Energy: 1.279330144032905
Energy: 1.3528998941302899
Energy: 1.315490929775279
Energy: 1.2671453574500993
Energy: 1.2490059062955112
Energy: 1.244871523899465
Energy: 1.2932980016470212
Energy: 1.2478643384776196
Energy: 1.2464877127572065
Energy: 1.3227685591836718
Energy: 1.3360244819726212
Energy: 1.3580296662355857
Energy: 1.378476546992777
Energy: 1.2826885454386134
Energy: 1.272224380060433
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Energy: 1.295008232769594
Energy: 1.252982970004166
Energy: 1.2868342037312568
Energy: 1.250494056448933
Energy: 1.2507790817028746
Energy: 1.2761392364780841
Energy: 1.2440292120540906
Energy: 1.2499568885810515
Energy: 1.2481906068103295
Energy: 1.2475674073518659
Energy: 1.2667959099703725
Energy: 1.271852875597146
Energy: 1.2874040460470848
Energy: 1.2872231066948685
Energy: 1.276143412815362
Energy: 1.359881035096833
Energy: 1.3506936603672048
Energy: 1.2946290321832017
Energy: 1.2875489059710057
Energy: 1.2464166852205203
Energy: 1.2736268902552441
Energy: 1.2710524519961013
Energy: 1.2567894861764533
Energy: 1.2933009333955097
Energy: 1.271989436313481
Energy: 1.2805364857274952
Energy: 1.3120954230841662
Energy: 1.287758550966765
Energy: 1.3768454006238289
Energy: 1.2563406233829997
Energy: 1.26901846446057
Energy: 1.268505119916586
Energy: 1.2787744868498876
Energy: 1.293252816406081
Energy: 1.2513411867088373
Energy: 1.2522909492145722
Energy: 1.2731159844626052
Energy: 1.2074800707874755
Energy: 1.254954726961668
Energy: 1.2716999308817356
Energy: 1.372547891599376
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Energy: 1.307184101083661
Energy: 1.357828414284544
Energy: 1.2676890652993187
Energy: 1.2872844221261264
Energy: 1.3149063845043312
Energy: 1.3324129790035049
Energy: 1.3062432020322736
Energy: 1.3102015517597847
Energy: 1.2678956622247282
Energy: 1.2694288975758863
Energy: 1.2499695046146704
Energy: 1.2481571910202245
Energy: 1.2603299269526953
Energy: 1.2883630001752762
Energy: 1.312878383135522
Energy: 1.2883805051942574
Energy: 1.314169453232873
Energy: 1.3209150955227795
Energy: 1.3224198613873472
Energy: 1.2676660215541449
Energy: 1.2487934561893677
Energy: 1.2670571550275698
Energy: 1.2498028854519119
Energy: 1.2535300171120383
Energy: 1.2984594734157526
Energy: 1.2245257120268245
Energy: 1.2370080424687133
Energy: 1.2460868815209276
Energy: 1.2543294449408926
Energy: 1.2523659031172036
Energy: 1.247001636331772
Energy: 1.2750154835814143
Energy: 1.222177056863932
Energy: 1.3049990036756833
Energy: 1.3595592122590128
Energy: 1.2503815570888446
Energy: 1.252930416818592
Energy: 1.270925033606693
Energy: 1.2208186265823568
Energy: 1.2225440065476816
Energy: 1.2730714495338933
Energy: 1.248333026967044
Energy: 1.2338584692823058
Energy: 1.3781940484211959
Energy: 1.2880116892752629
Energy: 1.3007419903894553
Energy: 1.373970146990036
Energy: 1.2715546653530756
Energy: 1.2260652400837704
Energy: 1.2228719890503348
Energy: 1.2522102839675646
Energy: 1.2471243897804005
Energy: 1.2229054688786094
Energy: 1.252596637688089
Energy: 1.3026735774890095
Energy: 1.260736154230697
Energy: 1.3558448036772581
Energy: 1.250938873291551
Energy: 1.2229937413404204
Energy: 1.2235505485958245
Energy: 1.290579778546872
Energy: 1.2486752895215585
Energy: 1.2348866270391592
Energy: 1.2478591256766411
Energy: 1.2489972358903558
Energy: 1.243047541317034
Energy: 1.2206414619886716
Energy: 1.290039056133767
Energy: 1.2326989591342459
Energy: 1.2453770393966563
Energy: 1.2645578485343585
Energy: 1.2347832632770113
Energy: 1.233198299421214
Energy: 1.2330492016234254
Energy: 1.3571131380327657
Energy: 1.3387516495343985
Energy: 1.3666785411436218
Energy: 1.2546886536639181
Energy: 1.2687709645466378
Energy: 1.221991483470422
Energy: 1.2663385249133403
Energy: 1.3199127379793787
Energy: 1.2406628136722462
Energy: 1.2340949368416705
Energy: 1.361441541436291
Energy: 1.3427867462206224
Energy: 1.3535912693310088
Energy: 1.3077936409452602
Energy: 1.2600278102749236
Energy: 1.3191208990432801
Energy: 1.265518325324562
Energy: 1.2664462829125473
Energy: 1.263817021224074
Energy: 1.2315920919062966
Energy: 1.2989861144746804
Energy: 1.2625030698580577
Energy: 1.3584659662059475
Energy: 1.2278198561295655
Energy: 1.2500452157682882
Energy: 1.246714887082046
Energy: 1.2689705416487653
Energy: 1.4003746656956002
Energy: 1.3033538507057085
Energy: 1.3718178699696855
Energy: 1.2337381882434997
Energy: 1.2399691274341145
Energy: 1.2960729578758228
Energy: 1.2400939407325473
Energy: 1.3559670196332607
Energy: 1.3567127252368338
Energy: 1.2647585188101254
Energy: 1.3064097896824844
Energy: 1.2658828236891335
Energy: 1.3595054960331163
Energy: 1.3341294595040545
Energy: 1.2878115243432404
Energy: 1.3818136932672378
Energy: 1.2404405508210745
Energy: 1.2329013914021312
Energy: 1.3547624657287567
Energy: 1.2660437811127583
Energy: 1.2503221986735615
Energy: 1.2655250886821803
Energy: 1.2711020849738257
Energy: 1.327900867889225
Energy: 1.2683187511357628
Energy: 1.2826202332020817
Energy: 1.2481129369871788
Energy: 1.228723655090001
Energy: 1.3331456963872694
Energy: 1.2733644942860631
Energy: 1.303327715988566
Energy: 1.2656009342384456
Energy: 1.2380009155891276
Energy: 1.2370383983646
Energy: 1.3586541981031626
Energy: 1.2459049651145189
Energy: 1.3409532288271508
Energy: 1.3466276525280616
Energy: 1.2324721313984974
Energy: 1.241142444885606
Energy: 1.3224530804594328
Energy: 1.3179534732626217
Energy: 1.300660777941581
Energy: 1.2584922313700027
Energy: 1.2826421471652478
Energy: 1.3569723908575684
Energy: 1.3088497463935216
Energy: 1.3567693256679099
Energy: 1.2529980122292663
Energy: 1.2327501475738643
Energy: 1.233435505534444
Energy: 1.2652132046837596
Energy: 1.222145630490884
Energy: 1.2214531181231105
Energy: 1.2805723652043783
Energy: 1.3131942768499065
Energy: 1.2320455938372281
Energy: 1.264654945780457
Energy: 1.2524844138949476
Energy: 1.2530884233884758
Energy: 1.2322449193025864
Energy: 1.2554600484398342
Energy: 1.2205377291730044
Energy: 1.2420829144659526
Energy: 1.254672020084188
Energy: 1.2087689209751578

minimum gb energy = 1.1956068276863203 eV
minimum distance =  2.24016016674022 Angstroms
sigma value = 437


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

Energy: 1.4327083116645905
Energy: 1.2119779713125896
Energy: 1.2135446443859237
Energy: 1.2746890244537048
Energy: 1.294843874758449
Energy: 1.3129641979342843
Energy: 1.2705211717844829
Energy: 1.250818831674963
Energy: 1.212627206631448
Energy: 1.1831000412476795
Energy: 1.4547328037378888
Energy: 1.1959500220369053
Energy: 1.2965878476201793
Energy: 1.2952789841310706
Energy: 1.2560235087369134
Energy: 1.212386061836399
Energy: 1.246709029606042
Energy: 1.2707086701707937
Energy: 1.1711636977735065
Energy: 1.197240680526269
Energy: 1.4592540108603076
Energy: 1.2345421274798816
Energy: 1.195481744196793
Energy: 1.2449177299949443
Energy: 1.2411274277190696
Energy: 1.2369052926401036
Energy: 1.2520910502877445
Energy: 1.2435849182296315
Energy: 1.2063586570124825
Energy: 1.2535150987282602
Energy: 1.2689292068652354
Energy: 1.306461772174696
Energy: 1.3222148131053881
Energy: 1.2985470773008982
Energy: 1.267950815902804
Energy: 1.2385875739978702
Energy: 1.2459319841128662
Energy: 1.250617927660746
Energy: 1.2710381355758573
Energy: 1.237389498127333
Energy: 1.2519887996183017
Energy: 1.2256098420995112
Energy: 1.1953642734369043
Energy: 1.2523187861740859
Energy: 1.2386426918181073
Energy: 1.213392382813578
Energy: 1.2693116949036773
Energy: 1.2525398407834454
Energy: 1.2003260417708366
Energy: 1.2031997637089022
Energy: 1.1988433589962424
Energy: 1.1943971447745456
Energy: 1.174314363940395
Energy: 1.4468033968595597
Energy: 1.2518454367064753
Energy: 1.238001714125235
Energy: 1.2405760110577941
Energy: 1.2543759538175694
Energy: 1.1967809896876782
Energy: 1.196025908046074
Energy: 1.1943817430805121
Energy: 1.1447936047234348
Energy: 1.1888857947878688
Energy: 1.2450583995053033
Energy: 1.2421897187320463
Energy: 1.1719575236479363
Energy: 1.2028808871209753
Energy: 1.2021271538836236
Energy: 1.1481415724309822
Energy: 1.1444034773955825
Energy: 1.204082584815163
Energy: 1.1439184223870702
Energy: 1.1470058413343585
Energy: 1.2386048214646836
Energy: 1.1853957121142054
Energy: 1.1439790732203892
Energy: 1.2482846644220993
Energy: 1.239840532254483
Energy: 1.1452791023631244
Energy: 1.1435614027629457
Energy: 1.2004380512012005
Energy: 1.194600123586556
Energy: 1.2022676091178919
Energy: 1.449836655685851
Energy: 1.2413386358962413
Energy: 1.2102180028830773
Energy: 1.2411119375417659
Energy: 1.2507381156164383
Energy: 1.1722211243624037
Energy: 1.1951703863416683
Energy: 1.2453754513640423
Energy: 1.2019375927573666
Energy: 1.1961538573273982
Energy: 1.2414105972418668
Energy: 1.259724612683866
Energy: 1.2652677608623994
Energy: 1.2528109427119491
Energy: 1.2601469256155868
Energy: 1.2430932411394209
Energy: 1.206721071899646
Energy: 1.2535229294902668
Energy: 1.1952410018433006
Energy: 1.2260209527372314
Energy: 1.2576812767468701
Energy: 1.241016438066281
Energy: 1.2410931701941121
Energy: 1.1814470586609962
Energy: 1.2445535859176449
Energy: 1.2948333159408436
Energy: 1.2634906145942033
Energy: 1.3034323178777065
Energy: 1.2559743247261668
Energy: 1.22528955979918
Energy: 1.2452632924765659
Energy: 1.180400799666044
Energy: 1.2093808354607753
Energy: 1.2451276070656199
Energy: 1.2488302010728858
Energy: 1.1966623266354797
Energy: 1.2336843884235107
Energy: 1.3040670056019665
Energy: 1.1958364690360732
Energy: 1.1978382474303462
Energy: 1.2442191173246548
Energy: 1.2469301775757156
Energy: 1.239789389733614
Energy: 1.250830828466092
Energy: 1.2706071926551123
Energy: 1.2008150249907366
Energy: 1.2335889960351796
Energy: 1.2216456460821028
Energy: 1.2401092619640484
Energy: 1.239486456653837
Energy: 1.2711239908960175
Energy: 1.2956071212277414
Energy: 1.2161742798517223
Energy: 1.2945621255924908
Energy: 1.2514154766479177
Energy: 1.2131029764875079
Energy: 1.185265098756493

minimum gb energy = 1.1435614027629457 eV
minimum distance =  2.26989954880802 Angstroms
sigma value = 33