Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002
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=2.8510001525282864
cohesive_energy=4.2903370704706045
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=[1.7044595903145597e-19, 2.3866343575390797e-19, 3.3934902196437003e-19, 3.9069557873080197e-19, 4.3337115555402594e-19, 4.69865534923278e-19, 5.014460385560519e-19, 5.289810461879759e-19, 5.531002132362119e-19, 5.74282590514326e-19, 5.92895076471504e-19, 6.092340737850359e-19, 6.23541511126656e-19, 6.3601285404571195e-19, 6.46817933265408e-19, 6.560977403295359e-19, 6.63975642838914e-19, 6.705557822747519e-19, 6.759342892350899e-19, 6.8018967037499395e-19, 6.833956258196279e-19, 6.856178448109859e-19, 6.86912403531258e-19, 6.87333775986e-19, 6.86881962175212e-19, 6.8544320755788e-19, 6.8285248794070195e-19, 6.788854985949179e-19, 6.73285891259088e-19, 6.657588654325559e-19, 6.5595995313901195e-19, 6.434693841003479e-19, 6.277824726768539e-19, 6.082855852177079e-19, 5.842160856451259e-19, 5.54636700628218e-19, 5.183794434007979e-19, 4.739815266960239e-19, 4.1958442561845597e-19, 3.52813714396506e-19, 2.7059481606952796e-19, 1.6890146075628e-19, 4.2371163262763994e-20, -1.162414395852948e-19, -3.17106003754548e-19, -5.75384888038518e-19, -9.14871697193412e-19, -1.37499599818197e-18, -2.0254717007027998e-18, -3.0000437036323195e-18, -4.5841477852008e-18, -7.462329934051079e-18, -1.3498482337347059e-17, -2.85136171199712e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015049950825331136
Energy: 0.015234968453371203
Energy: 0.09096424541393928
Energy: 0.09058782007510877
Energy: 0.10584327329060435
Energy: 0.10474725199350171
Energy: 0.10545748413786579
Energy: 0.08977911087887284
Energy: 0.0898454802723998
Energy: 0.01788946106439418
Energy: 0.015314911085469033
Energy: 0.08930209777304411
Energy: 0.10511027289928693
Energy: 0.015788419884120254
Energy: 0.01643573284391803
Energy: 0.08953697421040888
Energy: 0.0894441824722231
Energy: 0.10449791905492851
Energy: 0.08921236595979425
Energy: 0.10527653971893727
Energy: 0.09000317051515386
Energy: 0.08928210598118713
Energy: 0.10442507785709007
Energy: 0.015239234619581401
Energy: 0.09034764818648082
Energy: 0.10458045851835342
Energy: 0.015345033751254976
Energy: 0.015378108446664516
Energy: 0.10456467691753764
Energy: 0.09101168986091107
Energy: 0.01682006786885298
Energy: 0.10643671087339467
Energy: 0.08949390999002796
Energy: 0.08972962867713079
Energy: 0.08968772222152588
Energy: 0.10567490583024668
Energy: 0.016172354514113408
Energy: 0.015651758954723614
Energy: 0.089720418926259
Energy: 0.015296339247159766
Energy: 0.016937430462615533
Energy: 0.09092514945130775
Energy: 0.08975214983277234
Energy: 0.015947701625672824
Energy: 0.015282340781156955
Energy: 0.08924607334760143
Energy: 0.09182700282776837
Energy: 0.0906620812854938
Energy: 0.08934832211175474
Energy: 0.015182282585718333
Energy: 0.08979363391359774
Energy: 0.08935443607581259
Energy: 0.10547994917382535
Energy: 0.015509640856065255
Energy: 0.01529112112203948
Energy: 0.08997719481254779
Energy: 0.015642000130646042
Energy: 0.017022289604952973
Energy: 0.10499765039335862
Energy: 0.08970884609525522
Energy: 0.015274335506768634
Energy: 0.10477836145493682
Energy: 0.08927567587626457
Energy: 0.10522877982268732
Energy: 0.08986707504502338
Energy: 0.10471217706498641
Energy: 0.015641530405312336
Energy: 0.01675639787138556
Energy: 0.10457256231846318
Energy: 0.08963402732268898

minimum gb energy = 0.015049950825331136 eV
minimum distance =  2.46808102299029 Angstroms
sigma value = 3


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

Energy: 1.322246594796127
Energy: 1.267453159678585
Energy: 1.1755192469386233
Energy: 1.1977183786312453
Energy: 1.263116946859117
Energy: 1.1978686733185895
Energy: 1.2447117714170643
Energy: 1.2517719262925073
Energy: 1.1765237621659077
Energy: 1.263372052471465
Energy: 1.2338971196480162
Energy: 1.2128073851270855
Energy: 1.2389587445241599
Energy: 1.3168505294558306
Energy: 1.2547020099875017
Energy: 1.1684930411435388
Energy: 1.2486067837182249
Energy: 1.2440269599227647
Energy: 1.2233056541995473
Energy: 1.2620995137554603
Energy: 1.2483420872762145
Energy: 1.1765511480166235
Energy: 1.2576848640952172
Energy: 1.2438969873867067
Energy: 1.213211687514787
Energy: 1.1670814402258525
Energy: 1.319685909710888
Energy: 1.1731943762882402
Energy: 1.2611391245552197
Energy: 1.2273630775156927
Energy: 1.2315159195746046
Energy: 1.1741555770486192
Energy: 1.2359542659303315
Energy: 1.2273175566456802
Energy: 1.1685858213680578
Energy: 1.2107092047304127
Energy: 1.2494368596572565
Energy: 1.2325766704034675
Energy: 1.1743940641995396
Energy: 1.3196408101807515
Energy: 1.1772230695066284
Energy: 1.2133546172741418
Energy: 1.3252798198802846
Energy: 1.174818262404488
Energy: 1.1683579237020965
Energy: 1.1675908612479045
Energy: 1.2463991670881467
Energy: 1.2453250443978798
Energy: 1.187535710854485
Energy: 1.17463169923825
Energy: 1.228268949829413
Energy: 1.205315385718786
Energy: 1.169173879853629
Energy: 1.170891378633325
Energy: 1.2590990249577805
Energy: 1.2296289152939048
Energy: 1.1685996006419677
Energy: 1.166560649055886
Energy: 1.176637966165713
Energy: 1.206575592874479
Energy: 1.1865053227647657
Energy: 1.1708807753280703
Energy: 1.1680669624179796
Energy: 1.1686483875868674
Energy: 1.208388141087141
Energy: 1.1750955078676593
Energy: 1.174514282581826
Energy: 1.1700128928634337
Energy: 1.1746125451715417
Energy: 1.2399351120586493
Energy: 1.1662182663662304
Energy: 1.1686903573965977
Energy: 1.20520941155634
Energy: 1.165212304878334
Energy: 1.1591637988943049
Energy: 1.1585955722700918
Energy: 1.1575362167718557
Energy: 1.2739351410809148
Energy: 1.1693252561143692
Energy: 1.16755166683722
Energy: 1.1682111177385663
Energy: 1.2368096307625824
Energy: 1.1591947461233398
Energy: 1.1566561319115474
Energy: 1.1587861855285242
Energy: 1.1832574589057219
Energy: 1.2014244434032533
Energy: 1.20489670185954
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Energy: 1.1692456184527251
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Energy: 1.2598764982297792
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Energy: 1.2197594736435546
Energy: 1.1672579694635137
Energy: 1.1695566914316928
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Energy: 1.186446611263981
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Energy: 1.1747672263716622
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Energy: 1.1591265657473526
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Energy: 1.164012056305844
Energy: 1.2808844402465411
Energy: 1.166819969383872
Energy: 1.282186245118791
Energy: 1.28027820439971
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Energy: 1.2017848419831407
Energy: 1.2260884365313587
Energy: 1.2621245071706366
Energy: 1.1738815049928493
Energy: 1.2073513014080848
Energy: 1.2297872697641121
Energy: 1.2547358313204977
Energy: 1.249729123289293
Energy: 1.243468648079795
Energy: 1.1730911906989097
Energy: 1.2774955834450483
Energy: 1.2826722190116437
Energy: 1.2240811873383772
Energy: 1.1787015887355508
Energy: 1.2010950044370468
Energy: 1.261509447384259
Energy: 1.169214719006435
Energy: 1.2447106725813537
Energy: 1.243673019327405
Energy: 1.2212204522450232
Energy: 1.260944450247627
Energy: 1.2488242424953677
Energy: 1.212288174339376
Energy: 1.2364095215034527
Energy: 1.2298486470075989
Energy: 1.2547512556732785
Energy: 1.1725485672822558
Energy: 1.3197826017515717
Energy: 1.206884300485398
Energy: 1.2563643495257866
Energy: 1.228140126433836
Energy: 1.2073937532633012
Energy: 1.1757308564006046
Energy: 1.2546735452014959
Energy: 1.2437543931199184
Energy: 1.213172070675211
Energy: 1.2119845084736558
Energy: 1.1769449848718638
Energy: 1.2248301233391972
Energy: 1.175109518813907
Energy: 1.3180785424810983
Energy: 1.2114400359096926
Energy: 1.1673566095627055
Energy: 1.2379913082473066
Energy: 1.2273923571752532
Energy: 1.1674443837256918
Energy: 1.2225255521832181
Energy: 1.245060457585199
Energy: 1.2452624619188273
Energy: 1.1849805513659173
Energy: 1.1745492477346893
Energy: 1.231003316631445
Energy: 1.2129798367423998
Energy: 1.2963391773340929
Energy: 1.1747961564679328
Energy: 1.1704333867413022
Energy: 1.1704816744478
Energy: 1.2141385771261342
Energy: 1.164613552623825
Energy: 1.1757901168975964
Energy: 1.1755924840365009
Energy: 1.2276530465355118
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Energy: 1.1684486670563974
Energy: 1.1729809081337756
Energy: 1.27137967962063
Energy: 1.1730246126748998
Energy: 1.1761854699857555
Energy: 1.2581022090773033
Energy: 1.1736986462970962
Energy: 1.2382466782723713
Energy: 1.1678247065612768
Energy: 1.1687519297521822
Energy: 1.1682643374603272
Energy: 1.1679920740741114
Energy: 1.2294364060615348
Energy: 1.162558834606448
Energy: 1.1573569372293389
Energy: 1.2687831169068913
Energy: 1.2317984909116682
Energy: 1.169023413752991
Energy: 1.1662570518786632
Energy: 1.1716338078905728
Energy: 1.209000419477514
Energy: 1.1638212152849827
Energy: 1.204644450866508
Energy: 1.2140465266282192
Energy: 1.189244435228715
Energy: 1.268401139391783
Energy: 1.174132079802664
Energy: 1.1674871019406354
Energy: 1.213299466679388
Energy: 1.237547126115415
Energy: 1.1624318037259107
Energy: 1.1591318036429477
Energy: 1.157991921231566
Energy: 1.2067383448326972
Energy: 1.1702795607096006
Energy: 1.1673060855507442
Energy: 1.1686274455856807
Energy: 1.1858669552496837
Energy: 1.1677253891419999
Energy: 1.215879372122788
Energy: 1.158476617880522
Energy: 1.1669068845625121
Energy: 1.21774945267561
Energy: 1.2065537728576472
Energy: 1.1687057603931248
Energy: 1.2089079918565027
Energy: 1.2270713814827594
Energy: 1.2084064078421126
Energy: 1.1735264966836698
Energy: 1.1755269535842094
Energy: 1.2580723080378489
Energy: 1.1662875470352099
Energy: 1.2275803097253577
Energy: 1.1791251473468831
Energy: 1.2332174676494125
Energy: 1.2105503494718335
Energy: 1.2265425037730542
Energy: 1.2079696112622775
Energy: 1.1873252739200864
Energy: 1.158435416843487
Energy: 1.2491680424885274
Energy: 1.1679164039332481
Energy: 1.2221452970147029
Energy: 1.2476493064558516
Energy: 1.2149348151488397
Energy: 1.1740157229899408
Energy: 1.1549863597377337
Energy: 1.2804460580546084
Energy: 1.2361335351252094
Energy: 1.2441833573422596
Energy: 1.2446072745813839
Energy: 1.2060457173724408
Energy: 1.1680297984408696
Energy: 1.2004081619743168
Energy: 1.2421448783708622
Energy: 1.174032953836418
Energy: 1.2080966854160529
Energy: 1.3761528815316468
Energy: 1.1668965350120828
Energy: 1.2797846324019475
Energy: 1.2824182565909987
Energy: 1.2619012029051275
Energy: 1.2023507156713558
Energy: 1.2246292661575344
Energy: 1.2265109502465465
Energy: 1.1748841093521523
Energy: 1.2019273987339867
Energy: 1.245378096428861
Energy: 1.1725535741063011
Energy: 1.245796200375983
Energy: 1.2505040036748245
Energy: 1.1731384882766518
Energy: 1.176737415925334

minimum gb energy = 1.1549863597377337 eV
minimum distance =  2.24188316788637 Angstroms
sigma value = 75


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

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Energy: 1.2754648657804586
Energy: 1.2448920725843986
Energy: 1.1678435998471288
Energy: 1.238083429229602
Energy: 1.2195264510826878
Energy: 1.2130358585792642
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Energy: 1.2310541080505704
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Energy: 1.2128687740199324
Energy: 1.2548503999717069
Energy: 1.2170336029361244
Energy: 1.3043517911093363
Energy: 1.2211743326771258
Energy: 1.212861560340574
Energy: 1.1888804989442172
Energy: 1.2152504904662955
Energy: 1.2446871348120345
Energy: 1.2386478986143252
Energy: 1.2367877785765855
Energy: 1.2387996558735535
Energy: 1.1952161168988082
Energy: 1.2075700673058283
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Energy: 1.1580104203348642
Energy: 1.3846101014861734
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Energy: 1.2392719591211596
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Energy: 1.2978684356192973
Energy: 1.2259220517619878
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Energy: 1.2156499719363447
Energy: 1.2140242730511095
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Energy: 1.273369283172179
Energy: 1.2428144449964282
Energy: 1.2144665090859534
Energy: 1.2151443510117075
Energy: 1.2251883441853963
Energy: 1.2150467051641316
Energy: 1.2151743088982518
Energy: 1.2187420675618676
Energy: 1.189048906150294
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Energy: 1.1752565552199237
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Energy: 1.2171984844986499
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Energy: 1.2268219203899233
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Energy: 1.2274818514598278
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Energy: 1.225994815483543
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Energy: 1.2371247646584542
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Energy: 1.216298936009249
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Energy: 1.1987068003227968
Energy: 1.176048008973469
Energy: 1.290624125009529
Energy: 1.2155488179860783
Energy: 1.2174199744769405
Energy: 1.2260036456950592
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Energy: 1.2178057653941021
Energy: 1.226029949420101
Energy: 1.221701756455734
Energy: 1.216707140079129
Energy: 1.1833844592478404
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Energy: 1.1889187074477565
Energy: 1.2247074187754277
Energy: 1.201630452431693
Energy: 1.1736442470576096
Energy: 1.2395887031050201
Energy: 1.18198669651828
Energy: 1.214814294039829
Energy: 1.220674246498112
Energy: 1.2400371470097982
Energy: 1.2378808867837896
Energy: 1.226025669941322
Energy: 1.2268050274650022
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Energy: 1.2192519474176269
Energy: 1.275597992456422
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Energy: 1.3239085476438428
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Energy: 1.1870850508951871
Energy: 1.1612790103756292
Energy: 1.2831791429931878
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Energy: 1.2461217218303167
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Energy: 1.184359161441599
Energy: 1.2492042003285477
Energy: 1.1989235945854153
Energy: 1.241050616901686
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minimum gb energy = 1.1580104203348642 eV
minimum distance =  2.23140618133892 Angstroms
sigma value = 105


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

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Energy: 1.2522109638088248
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Energy: 1.2266279071432074
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Energy: 1.2552695238247225
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Energy: 1.226344129295793
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Energy: 1.22869378401528
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Energy: 1.1725908604256483
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Energy: 1.066467954552203
Energy: 1.1588398825092794
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Energy: 1.2380110465331908
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Energy: 1.1785061448371414
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Energy: 1.2395531251159524
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Energy: 1.229983869152313
Energy: 1.199063033849607
Energy: 1.230928331828026
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Energy: 1.0656362008933493
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Energy: 1.274111934657411
Energy: 1.1772942225872642
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Energy: 1.2302381587419713
Energy: 1.1789540537647913
Energy: 1.2150140896323063
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Energy: 1.1839587258887716
Energy: 1.1169976565234474
Energy: 1.0655517545777093
Energy: 1.3289762232020135
Energy: 1.1380618558363917
Energy: 1.2740557406176278
Energy: 1.1557382442217476
Energy: 1.1802166056278942
Energy: 1.2256032528893008
Energy: 1.2192669076363718
Energy: 1.210940868692361
Energy: 1.207895407231782
Energy: 1.1863745899981348
Energy: 1.3982086704138659
Energy: 1.2393548351410038
Energy: 1.2200203786930601
Energy: 1.219874021884455
Energy: 1.2039426277094454
Energy: 1.219978577948999
Energy: 1.1921738437917122
Energy: 1.3972914121107467
Energy: 1.1557661399678196
Energy: 1.39655198668359
Energy: 1.1675441037777066
Energy: 1.2342591541404964
Energy: 1.2540963875168774
Energy: 1.2265406466929232
Energy: 1.2208318791614767
Energy: 1.066095654361841
Energy: 1.2081580533525222
Energy: 1.2094295726559026
Energy: 1.2154036720693602
Energy: 1.2142708403248372
Energy: 1.2268266021874252
Energy: 1.2143503528716495
Energy: 1.2273815126303205
Energy: 1.2278963311873694
Energy: 1.1810887331357836
Energy: 1.2733707605559015
Energy: 1.1527256039863178
Energy: 1.207611798086672
Energy: 1.0650981533303305
Energy: 1.1761123550790478
Energy: 1.216188026480577
Energy: 1.2127138483788003
Energy: 1.1653158370636
Energy: 1.209356304904507
Energy: 1.2095861102834327
Energy: 1.208205937507448
Energy: 1.2639009720192846
Energy: 1.272799473649825
Energy: 1.257549537914903
Energy: 1.1451431195748984
Energy: 1.2347990714622623
Energy: 1.2270322121212036
Energy: 1.1503262876106202
Energy: 1.2105279966100226
Energy: 1.1602747412478585
Energy: 1.2091217115475896
Energy: 1.2264913113356823
Energy: 1.2266075661773164
Energy: 1.2504805779639696
Energy: 1.235720382382473
Energy: 1.1592212097675214
Energy: 1.3739146947853476
Energy: 1.431901901608705
Energy: 1.175328922730091
Energy: 1.158813325416422
Energy: 1.1933227275084688
Energy: 1.2146350942289121
Energy: 1.1469311828983997
Energy: 1.1470166232713823
Energy: 1.2348104171003238
Energy: 1.159159882789535
Energy: 1.16023943689678
Energy: 1.1740838555973487
Energy: 1.1997830606400426
Energy: 1.2997144580023388
Energy: 1.1592087540908664

minimum gb energy = 1.0650981533303305 eV
minimum distance =  2.27103375971538 Angstroms
sigma value = 165


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

Energy: 1.3398614230413242
Energy: 1.177147353223353
Energy: 1.1732615925187488
Energy: 1.1962988879237657
Energy: 1.1875420893091404
Energy: 1.171481530367938
Energy: 1.1736997157817364
Energy: 1.1722429616080121
Energy: 1.1735549099590126
Energy: 1.1772307997961544
Energy: 1.1786096882466925
Energy: 1.1726228760352975
Energy: 1.2533293206435314
Energy: 1.1887127320832687
Energy: 1.1800793102142055
Energy: 1.1746154585675062
Energy: 1.1730568895851765
Energy: 1.173451159407466
Energy: 1.1711228442855939
Energy: 1.1879891316748596
Energy: 1.1996611221730877
Energy: 1.20160746077615
Energy: 1.186061633302676
Energy: 1.2461736964987127
Energy: 1.1859220501670715
Energy: 1.2529558603995565
Energy: 1.2663284802284496
Energy: 1.180794976170445
Energy: 1.2504058261397362
Energy: 1.1804295961999745
Energy: 1.2370715430310812
Energy: 1.1889681532652714
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Energy: 1.1905667724576887
Energy: 1.193828152714543
Energy: 1.1869169730962619
Energy: 1.2004712600550256
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Energy: 1.1729690204786185
Energy: 1.1735232077507225
Energy: 1.173523992495491
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Energy: 1.174290823251041
Energy: 1.186141890886471
Energy: 1.1992584690518984
Energy: 1.202152211313873
Energy: 1.1801207745108895
Energy: 1.1879887938460658
Energy: 1.17329135480644
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Energy: 1.1680493091021216
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Energy: 1.200211868549405
Energy: 1.190300641344676
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Energy: 1.173884397408891
Energy: 1.17363096832344
Energy: 1.1706672753809741
Energy: 1.1775902582677062
Energy: 1.1560784850916948
Energy: 1.2089534125990977
Energy: 1.1871787630070039
Energy: 1.2031247982887416
Energy: 1.1772627250770675
Energy: 1.2659990392645555
Energy: 1.192074302419057
Energy: 1.1734749550671582
Energy: 1.1740035411703924
Energy: 1.1975101972090494
Energy: 1.2000850888376449
Energy: 1.1860265468520708
Energy: 1.1736341340624865
Energy: 1.168110611467369
Energy: 1.20917597390083
Energy: 1.1733245638084955
Energy: 1.1745254221621924
Energy: 1.1849824959355493
Energy: 1.201641652783007
Energy: 1.1956830557507565
Energy: 1.1971598615480248
Energy: 1.2028550499325266
Energy: 1.1937461567574512
Energy: 1.2447481179762756
Energy: 1.1944834113210832
Energy: 1.1723053618516428
Energy: 1.1737376867034468
Energy: 1.1871283045327838
Energy: 1.2003762616075822
Energy: 1.2016826044309028
Energy: 1.1971047405911663
Energy: 1.1970164195726183
Energy: 1.180551621937801
Energy: 1.184073169060559
Energy: 1.1743411766254643
Energy: 1.1720513995335236
Energy: 1.1728751122401275
Energy: 1.1874673389817096
Energy: 1.1811704338036204
Energy: 1.2018738633316794
Energy: 1.1994633778147845
Energy: 1.1870861294655701
Energy: 1.1734473746728602
Energy: 1.1706624482191776
Energy: 1.1730752228798285
Energy: 1.1874026568453082
Energy: 1.1792339219167507
Energy: 1.1873262290132651
Energy: 1.1741506788526412
Energy: 1.1870487114908024
Energy: 1.2639884515303568
Energy: 1.1905271602489307
Energy: 1.1735147661789473
Energy: 1.1714336267430276
Energy: 1.1748041753316572
Energy: 1.1789513923098527
Energy: 1.1888111031789528
Energy: 1.2041574908238375
Energy: 1.1970341940908442
Energy: 1.1808342292112537
Energy: 1.2505724905694962
Energy: 1.1668418297847316
Energy: 1.1774795838291752
Energy: 1.251082882461938
Energy: 1.171322617640573

minimum gb energy = 1.1560784850916948 eV
minimum distance =  2.24654518186818 Angstroms
sigma value = 41


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

Energy: 2.7993541811492837
Energy: 1.1302491822799146
Energy: 1.2790917492854983
Energy: 1.1558346225431932
Energy: 1.1295598376090576
Energy: 1.2891884268998448
Energy: 1.2887101525545928
Energy: 1.1587307805867137
Energy: 1.1936624564742135
Energy: 1.1323833961980752
Energy: 1.1224132149273442
Energy: 1.2074457069849174
Energy: 1.2298919941131259
Energy: 1.3028302033802353
Energy: 1.25220662841124
Energy: 1.2990593211098822
Energy: 1.2761690373111076
Energy: 1.2538502764040937
Energy: 1.1358642645787818
Energy: 1.1681040450129776
Energy: 1.1354115261781417
Energy: 1.2911084830975113
Energy: 1.1274591940863166
Energy: 1.1324964351208382
Energy: 1.1116059074484514
Energy: 1.2032718915767555
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Energy: 1.165554282104297
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Energy: 1.154628999583845
Energy: 1.1349818035605497
Energy: 1.1464648722047226
Energy: 1.1544511716480317
Energy: 1.1095285961680734
Energy: 1.100986634882094
Energy: 1.1956492143898592
Energy: 1.2657816126492403
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Energy: 1.297339486334614
Energy: 1.14987412280284
Energy: 1.1350784135678762
Energy: 1.1299547506918004
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Energy: 1.1076740946879842
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Energy: 1.09654774189786
Energy: 1.0936724859563431
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Energy: 1.127769435195578
Energy: 1.0977591804843012
Energy: 1.0956959492200287
Energy: 1.096486597703553
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Energy: 1.1343313014405754
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Energy: 1.190538484189829
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Energy: 1.1406500859265156
Energy: 1.154243559666059
Energy: 1.1644481242048692
Energy: 1.285305345277223
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Energy: 1.0955647136191349
Energy: 1.1056529837243805
Energy: 1.0964326371830937
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Energy: 1.171622239516084
Energy: 1.1330749928386994
Energy: 1.175822627659084
Energy: 1.1049850379566484
Energy: 1.1150544901340118
Energy: 1.0964938175728975
Energy: 1.0999006445785622
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Energy: 1.2013606422504322
Energy: 1.2002684528412964
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Energy: 1.3210214649377794
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Energy: 1.0702106703075116
Energy: 1.2795063609145783
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Energy: 1.266697730427929
Energy: 1.2443516325569801
Energy: 1.0973563666194688
Energy: 1.096987028769272
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Energy: 1.123267135808626
Energy: 1.1774992412575902
Energy: 1.138923680699071
Energy: 1.1743404595975409
Energy: 1.2804011778457633
Energy: 1.4241560198051018
Energy: 1.12947771986768
Energy: 1.1413956803207004
Energy: 1.151937979068087
Energy: 1.300064485748092
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Energy: 1.1103285232130713
Energy: 1.1754998812926702
Energy: 1.1477550136331813
Energy: 1.1308860230927775
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Energy: 1.2728777853251467
Energy: 1.158461916423989
Energy: 1.1549249227460066
Energy: 1.1543056655614239
Energy: 1.1562510679091211
Energy: 1.1258182307851625
Energy: 1.1617014473036489
Energy: 1.1313396532751927
Energy: 1.2437755107571884
Energy: 1.1692306145462281
Energy: 1.281547883227445
Energy: 1.3210188093931576
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Energy: 1.110433655770396
Energy: 1.1686513267773493
Energy: 1.1420006692658782
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Energy: 1.1674207242358838
Energy: 1.1397596463651483
Energy: 1.1558061897367848
Energy: 1.131319768137249
Energy: 1.0979394477110067
Energy: 1.1648017056887736
Energy: 1.0649247768130907
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Energy: 1.1348508574579441
Energy: 1.1380295307126207
Energy: 1.2256186869055474
Energy: 1.166409084882446
Energy: 1.1350820592503164
Energy: 1.2967682503221607
Energy: 1.1317603027900665
Energy: 1.2457610622600737
Energy: 1.3951212273216977
Energy: 1.0908832438717433
Energy: 1.117116508402176
Energy: 1.2591831213339635
Energy: 1.1808877067908443
Energy: 1.1346177682560918
Energy: 1.2112604877616946
Energy: 1.3303488757191193
Energy: 1.2696636695790435
Energy: 1.171636214881456
Energy: 1.1357139221697117
Energy: 1.1250373117312502
Energy: 1.3460672343529017
Energy: 1.2039153512237206
Energy: 1.3472477547334436
Energy: 1.3176058842056086
Energy: 1.1548631892134171
Energy: 1.3295042433347253
Energy: 1.1854821232671413
Energy: 1.1425762038849026
Energy: 1.141742613439294
Energy: 1.1088933580328044
Energy: 1.2468479558515844
Energy: 1.262348540300166
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Energy: 1.1176189013977653
Energy: 1.1888444652295638
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Energy: 1.0971782690878435
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Energy: 1.1063623910780007
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Energy: 1.2701650305704273
Energy: 1.2741487998205874
Energy: 1.0683394260044863
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Energy: 1.2368369394068988
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Energy: 1.0942163564011749
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Energy: 1.3104121492380438
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Energy: 1.1332247902959665
Energy: 1.2780191219194283
Energy: 1.1114051125235378
Energy: 1.136856559105051
Energy: 1.1392452596861142
Energy: 1.092256281206736
Energy: 1.1077264208840185
Energy: 1.1942354808440547
Energy: 1.3095039711526095
Energy: 1.2214916858949747
Energy: 1.0953845587763618
Energy: 1.1081032530032269
Energy: 1.2764055245948052
Energy: 1.2467240819291916
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Energy: 1.2166867238470624
Energy: 1.1382287880787074
Energy: 1.3490087984834187
Energy: 1.1609191346329157
Energy: 1.1257794157334995
Energy: 1.0943627270606278
Energy: 1.1337976459457129
Energy: 1.2887414613240398
Energy: 1.1392215130966892
Energy: 1.1180315552792308
Energy: 1.1694573957998868
Energy: 1.1116763072235105
Energy: 1.180681709955557
Energy: 1.2873624215241513
Energy: 1.3873752089955027
Energy: 1.1361888467510295
Energy: 1.1417932009526603
Energy: 1.1448846811205973
Energy: 1.1337851564028993
Energy: 1.1209129777185678
Energy: 1.1673367828570016
Energy: 1.1701907045734514
Energy: 1.1177311133111456
Energy: 1.2841215878854033
Energy: 1.2730219055682797
Energy: 1.3093921336364218
Energy: 1.2886052318058496
Energy: 1.1401011837417518
Energy: 1.1347529009309358
Energy: 1.1692333313790475
Energy: 1.1609316456411019
Energy: 1.1161957120159978
Energy: 1.1709482968014235
Energy: 1.21154386581595
Energy: 1.1319847480938865
Energy: 1.2865746005575724
Energy: 1.2896108382121343
Energy: 1.13985441871873
Energy: 1.1235773513373863
Energy: 1.1694775332809593
Energy: 1.2620412121321591
Energy: 1.2411488596194065
Energy: 1.1294730010764955
Energy: 1.1274815601412256
Energy: 1.3718722481962962
Energy: 1.1324666542413766
Energy: 1.1872861866394229
Energy: 1.349177138601713

minimum gb energy = 1.0649247768130907 eV
minimum distance =  2.19433688250939 Angstroms
sigma value = 185


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

Energy: 2.57813162998733
Energy: 1.160441506190641
Energy: 1.3432707970718794
Energy: 1.2140074437245
Energy: 1.2850488166069345
Energy: 1.312298797368436
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Energy: 1.2602483494475047
Energy: 1.289381716085672
Energy: 1.3741260141120875
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Energy: 1.3036393198540273
Energy: 1.3442057082806902
Energy: 1.2030621860000483
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Energy: 1.1812520789840826
Energy: 1.1399627143533961
Energy: 1.1419999890824715
Energy: 1.141367023293141
Energy: 1.142186918671292
Energy: 1.1112273573122533
Energy: 1.2969279865072205
Energy: 1.140552895999382
Energy: 1.3927863948557515
Energy: 1.2535428520159724
Energy: 1.1580093715079132
Energy: 1.4030921853156029
Energy: 1.383057833329609
Energy: 1.1403028525402488
Energy: 1.3756753702622608
Energy: 1.2910591376733895
Energy: 1.3615895643883893
Energy: 1.1658059559965068
Energy: 1.1455464889857687
Energy: 1.1555103746862776
Energy: 1.1412823343290053
Energy: 1.3687717384729883
Energy: 1.3839799453936303
Energy: 1.4142710021551477
Energy: 1.172778227004921
Energy: 1.1978737622719084
Energy: 1.2843032784826989
Energy: 1.404592198601409
Energy: 1.2151872111148492
Energy: 1.2754866181856703
Energy: 1.2791067074543214
Energy: 1.1671344280017972
Energy: 1.1824352526274928
Energy: 1.1831654534258174
Energy: 1.173294846420077
Energy: 1.1992283878383023
Energy: 1.1994173026891564
Energy: 1.2566871072270969
Energy: 1.2610162425645897
Energy: 1.2586657280928744
Energy: 1.3949061568171663
Energy: 1.3852864975831698
Energy: 1.3827017000371644
Energy: 1.326937563069525
Energy: 1.3268999257244405
Energy: 1.3186399802186477
Energy: 1.1991639872720394
Energy: 1.2051366563741162
Energy: 1.1988568050429496
Energy: 1.1805002201784787
Energy: 1.1414457350348406
Energy: 1.183678240688489
Energy: 1.397169654919343
Energy: 1.384006269832638
Energy: 1.3555840090421925
Energy: 1.3891767878816619
Energy: 1.3888398117387295
Energy: 1.2140274992890234
Energy: 1.2682972971784712
Energy: 1.2095399652938355
Energy: 1.1611106026913862
Energy: 1.186218438317991
Energy: 1.2205435527390258
Energy: 1.137800718950331

minimum gb energy = 1.1112273573122533 eV
minimum distance =  2.23814266919415 Angstroms
sigma value = 33


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

Energy: 1.3448274178064807
Energy: 1.1242855301972563
Energy: 1.2247046503183219
Energy: 1.1942220326722561
Energy: 1.241071430147852
Energy: 1.3294870985841711
Energy: 1.3279905891514765
Energy: 1.2145730537658692
Energy: 1.2466226153617603
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Energy: 1.182580681568535
Energy: 1.3250781558039983
Energy: 1.2873423131972306
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Energy: 1.2868052982846916
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Energy: 1.1600866130257554
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Energy: 1.1251861781162322
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Energy: 1.1629976436692275
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Energy: 1.1630374806820325
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Energy: 1.2149934017302684
Energy: 1.3604892768625032
Energy: 1.3414911101182831
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Energy: 1.285571895875999
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Energy: 1.1315776386803211
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Energy: 1.2672551144993827
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Energy: 1.3409994626311992
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Energy: 1.2079326293437331
Energy: 1.1543641424422486
Energy: 1.1721518505106394
Energy: 1.282537126176681
Energy: 1.3070427583358053
Energy: 1.1964901128837038
Energy: 1.1948107500010647
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Energy: 1.1377597319875836
Energy: 1.180350182690166
Energy: 1.1430899372606615
Energy: 1.137942320980493
Energy: 1.1787949551377106
Energy: 1.1688938046997719
Energy: 1.2731691563404308
Energy: 1.2209552465497868
Energy: 1.2944220963440756
Energy: 1.2382708150495543
Energy: 1.1367863439786956
Energy: 1.2674612175250768
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Energy: 1.3280201078806557
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Energy: 1.1770312276780515
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Energy: 1.1621449781680098
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Energy: 1.2094606627959192
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Energy: 1.2778676266503235
Energy: 1.1794258048150028
Energy: 1.1640673932766452
Energy: 1.1994928558631135
Energy: 1.162179784655201
Energy: 1.180178716362064
Energy: 1.2005267404760194
Energy: 1.1226953226295795
Energy: 1.2024920462539588
Energy: 1.3300464074873566
Energy: 1.3496868792189896
Energy: 1.160271228525172
Energy: 1.1651767045939503
Energy: 1.1589857258270317
Energy: 1.2005873206887074
Energy: 1.190169340409991
Energy: 1.1999789316154952
Energy: 1.206334840203955
Energy: 1.1393132329606592
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Energy: 1.2405881804691083
Energy: 1.2368944392870274
Energy: 1.1436371980643645
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Energy: 1.2155053815292076
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Energy: 1.3278306629253769
Energy: 1.2647621469571197
Energy: 1.2955811928983383
Energy: 1.1250285733794991

minimum gb energy = 1.1137173110789726 eV
minimum distance =  2.24596802674705 Angstroms
sigma value = 219


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

Energy: 2.0726257615979526
Energy: 1.1010399215673048
Energy: 1.1224881864060865
Energy: 1.107699689698495
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Energy: 1.106603393203484
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Energy: 1.1423508495920465
Energy: 1.1276871436262603
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Energy: 1.1046610659173612
Energy: 1.1209031053540348
Energy: 1.1427675861435675
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Energy: 1.0829748451443673
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Energy: 1.1435513907326864
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Energy: 1.105340662548702
Energy: 1.1907483892309665
Energy: 1.0620316695110612
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Energy: 1.1425725504603335
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Energy: 1.0856629567820502
Energy: 1.1050612131329602
Energy: 1.0620291071258023
Energy: 1.062094255494629
Energy: 1.1220100348372388
Energy: 1.1208093932742662

minimum gb energy = 1.0619735760198155 eV
minimum distance =  2.28437932565673 Angstroms
sigma value = 15


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

Energy: 1.4936243511789566
Energy: 1.2921170255103418
Energy: 1.3168271244439604
Energy: 1.3060916035467307
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Energy: 1.3600105168822592
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Energy: 1.305108228585763
Energy: 1.3179116890823954
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Energy: 1.3065469413570618
Energy: 1.3036989501423952
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Energy: 1.2897780999391488
Energy: 1.330971559359535
Energy: 1.3001551386480998
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Energy: 1.2904592159699195
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Energy: 1.3353046534896063
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Energy: 1.2995985915640031
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Energy: 1.3028844381338502
Energy: 1.3270652550918756
Energy: 1.3274483992907444
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Energy: 1.311518507937415
Energy: 1.3147629411474677
Energy: 1.3331640578011725
Energy: 1.3268702112762718
Energy: 1.4030019792572843
Energy: 1.4043800360144727
Energy: 1.3188577868710774
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Energy: 1.3054583231405683
Energy: 1.30622281237913
Energy: 1.3009837785813456
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minimum gb energy = 1.2688270753876207 eV
minimum distance =  2.21559625832419 Angstroms
sigma value = 293


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

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Energy: 1.3749650783171852
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Energy: 1.2828949730850854
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Energy: 1.3046292796621175
Energy: 1.3154337091572086
Energy: 1.3138555148671427
Energy: 1.3244064733358425
Energy: 1.289491165750098
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Energy: 1.3029541014326207
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Energy: 1.2848194176893586
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Energy: 1.2683651727214098
Energy: 1.2928216833146418
Energy: 1.3444317032142943
Energy: 1.3085130522107014
Energy: 1.4321802061010311
Energy: 1.3634793738356545
Energy: 1.3076297748163737
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Energy: 1.344491634438459
Energy: 1.2946910524093724
Energy: 1.2882296070954942
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Energy: 1.3543988078725993
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Energy: 1.2893029656069424
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Energy: 1.279825887909737
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Energy: 1.2946156760421845
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Energy: 1.2694288917456067
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Energy: 1.2859038559262779
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Energy: 1.3699796730592777
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Energy: 1.3258952659431489
Energy: 1.3248096935305003
Energy: 1.3336731227932586
Energy: 1.3143935129748399
Energy: 1.3312279792603725
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Energy: 1.2956843199499064
Energy: 1.4211874806324067
Energy: 1.4682982190561407
Energy: 1.2931422390957086
Energy: 1.3247541655205255
Energy: 1.3175422032637552
Energy: 1.3284829642962461
Energy: 1.3285494873738126
Energy: 1.3301885869779282
Energy: 1.327867111321702
Energy: 1.3103189877958437
Energy: 1.4216330668823771
Energy: 1.4229538469410905
Energy: 1.3308100662526148
Energy: 1.3125094274604494
Energy: 1.3188776969986487
Energy: 1.4221616646096922
Energy: 1.3124497115345035
Energy: 1.312237189202691
Energy: 1.3557036095726591
Energy: 1.330870730631585
Energy: 1.3349024837839796
Energy: 1.327608425677836
Energy: 1.3220963231674001
Energy: 1.3341412631260248
Energy: 1.40329626924257
Energy: 1.3344760335266004
Energy: 1.3101750451747756
Energy: 1.3287777732415864
Energy: 1.2864587819605373
Energy: 1.364066272707127
Energy: 1.3906272387565632
Energy: 1.279260131867607
Energy: 1.2936537668405765
Energy: 1.2955105112195415
Energy: 1.3298902996971347
Energy: 1.2891445228420264
Energy: 1.3116488682101957
Energy: 1.3115184087313314
Energy: 1.2951260989089288
Energy: 1.29497989771171
Energy: 1.2697201755021241
Energy: 1.3052044820642053
Energy: 1.293614860554942
Energy: 1.28716828188842
Energy: 1.3015712394143308
Energy: 1.3531970101612638
Energy: 1.3813476050166993
Energy: 1.4784390156501406
Energy: 1.34626378983772
Energy: 1.3009945940685443
Energy: 1.268881579097606
Energy: 1.2698585430863105
Energy: 1.2933532932754304
Energy: 1.3440546282063317
Energy: 1.3126711938037952
Energy: 1.421103204438395
Energy: 1.3441024521103937
Energy: 1.2780979652168944
Energy: 1.3098948255377194
Energy: 1.398204956466721
Energy: 1.2694655567321695
Energy: 1.2825954111048294
Energy: 1.293125575139518
Energy: 1.3198087697741587
Energy: 1.3041222712780274
Energy: 1.330575593896787
Energy: 1.3062182156404318

minimum gb energy = 1.260295348106547 eV
minimum distance =  2.23772887014069 Angstroms
sigma value = 293


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

Energy: 1.6589309453041805
Energy: 1.0719290486620383
Energy: 1.1599113968627142
Energy: 1.1607415211111896
Energy: 1.1598062876482547
Energy: 1.3312034809295206
Energy: 1.1602683775828284
Energy: 1.1605406125375224
Energy: 1.1604442931238435
Energy: 1.072252671221361
Energy: 1.1195442228768262
Energy: 1.1604619468171053
Energy: 1.2891307486798407
Energy: 1.2767818852595856
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Energy: 1.1599153315938864
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Energy: 1.331588589453815
Energy: 1.160007452301805
Energy: 1.2923502559862197
Energy: 1.3815758777414608
Energy: 1.1602817219881305
Energy: 1.161015650287037
Energy: 1.2859558886141367
Energy: 1.2841840967374485
Energy: 1.296286232570775
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Energy: 1.1588721434911584
Energy: 1.1601997556604013
Energy: 1.1593051503977292
Energy: 1.0734457545729819
Energy: 1.0724786505483113
Energy: 1.2855987908062274
Energy: 1.3828443684155425
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Energy: 1.1593529608477489
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Energy: 1.2862264775085688
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Energy: 1.3525866783117235
Energy: 1.354622053800323
Energy: 1.2889924144484728
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Energy: 1.1560299204473663
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Energy: 1.1605086334967782
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Energy: 1.1595180472246491
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Energy: 1.331552788063831
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Energy: 1.1606177123072516
Energy: 1.2883364513119135
Energy: 1.1590309602148974
Energy: 1.1549662783062518
Energy: 1.1602202659669043
Energy: 1.1606439531018373
Energy: 1.1605465142357672
Energy: 1.1591602127016618
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Energy: 1.161029906836354
Energy: 1.3847147353632223
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Energy: 1.1605652598875489
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Energy: 1.0720887246863624
Energy: 1.1595412039659316
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Energy: 1.1609475684318102
Energy: 1.1611258440629464
Energy: 1.156327594931607
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Energy: 1.161539748741707
Energy: 1.330976164132098
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Energy: 1.287440606701439
Energy: 1.1424906150525442
Energy: 1.1611445210590714
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Energy: 1.160443594780572
Energy: 1.1604831398103563
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Energy: 1.3526218531353895
Energy: 1.1585797331514711
Energy: 1.1604296286213451
Energy: 1.0722031148856535
Energy: 1.1603135058876946
Energy: 1.1589593001163694
Energy: 1.071741918801357
Energy: 1.0720131632882988
Energy: 1.2865326689663197
Energy: 1.2948712941962572
Energy: 1.1430045788539671
Energy: 1.2951666891795894
Energy: 1.1602426805989876
Energy: 1.1588038370924116
Energy: 1.1610423777360934
Energy: 1.2960730127595759
Energy: 1.4726505262290441
Energy: 1.071737131948087
Energy: 1.1581595972354184
Energy: 1.1610850462355848
Energy: 1.2894508766586346
Energy: 1.1608684790120947
Energy: 1.1595007783189417
Energy: 1.16020279292927
Energy: 1.2961234093881175
Energy: 1.1604353635728653
Energy: 1.1594586114678753
Energy: 1.1606571706439976
Energy: 1.3304178126915471
Energy: 1.1591762400638426
Energy: 1.3518135872759154
Energy: 1.355980469596902
Energy: 1.2892805248780863
Energy: 1.159699945321236
Energy: 1.1575511682630817
Energy: 1.1597218746468028
Energy: 1.2847971722765623
Energy: 1.2958319374382115
Energy: 1.1598981699551283
Energy: 1.1591832722121402
Energy: 1.1628316081257442
Energy: 1.2883157851777776
Energy: 1.161362243701682
Energy: 1.2969164802798647
Energy: 1.3262036636313694
Energy: 1.1600966335322067
Energy: 1.1603810029694896
Energy: 1.1600190136595008
Energy: 1.0707496104651217
Energy: 1.4709574971640416
Energy: 1.1598357341589844
Energy: 1.1608904549384316
Energy: 1.2751203605717376
Energy: 1.158841612641886
Energy: 1.1554463276009446
Energy: 1.159679024626342
Energy: 1.3309377275614187
Energy: 1.2958665853072886
Energy: 1.0730434323613887
Energy: 1.1586237453478587
Energy: 1.3303792874862892
Energy: 1.159847904869836
Energy: 1.1597243495717373
Energy: 1.3542256053978803
Energy: 1.2876093957216457
Energy: 1.1608702322048476
Energy: 1.1612502001618448
Energy: 1.1614008983940334
Energy: 1.1595549328157786
Energy: 1.3804196321519044
Energy: 1.0729866910638153
Energy: 1.1618391520769926
Energy: 1.3854627050098005
Energy: 1.353453128209499
Energy: 1.1589519410977736
Energy: 1.1569767000676958
Energy: 1.1597321663184623
Energy: 1.290714802988157
Energy: 1.1604312943622495
Energy: 1.15952023669452

minimum gb energy = 1.0687526508513263 eV
minimum distance =  2.34846845148201 Angstroms
sigma value = 15


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

Energy: 1.44114380694092
Energy: 1.2391634180781583
Energy: 1.2494807440919289
Energy: 1.253814612366891
Energy: 1.2339006513669812
Energy: 1.2617358930954996
Energy: 1.222832162202838
Energy: 1.2239258877231
Energy: 1.2497080476374218
Energy: 1.244503273608823
Energy: 1.2655573003324447
Energy: 1.3288546514185517
Energy: 1.2499604763182548
Energy: 1.232800945784136
Energy: 1.2455018912118831
Energy: 1.2549009649192158
Energy: 1.2222932430911402
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Energy: 1.3548533677291974
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Energy: 1.3113237940857898
Energy: 1.2941027681071373
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Energy: 1.2768161103829005
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Energy: 1.2400894974457484
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Energy: 1.310329100245191
Energy: 1.290452780094723
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Energy: 1.2301235434370306
Energy: 1.3392341075776433
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Energy: 1.2476217087648138
Energy: 1.2769958320387649
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Energy: 1.3653518657826704
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Energy: 1.250456343019275
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Energy: 1.2336413011684388
Energy: 1.2332510276008903
Energy: 1.2529819059012879
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Energy: 1.2771038350224209
Energy: 1.2213879000351642
Energy: 1.2287212007534676
Energy: 1.2640386575981535
Energy: 1.2345884896243124
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Energy: 1.358933510471387
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Energy: 1.2482744393755738
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Energy: 1.2514628261106555
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Energy: 1.3416884862967275
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Energy: 1.2312545509365675
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Energy: 1.272588044463039
Energy: 1.2663425180718395
Energy: 1.2930330127598775
Energy: 1.2662830034177062
Energy: 1.2548763781312087
Energy: 1.279461112254839
Energy: 1.3567314451617143
Energy: 1.363317768459168
Energy: 1.3624821121746213
Energy: 1.2346485541137409
Energy: 1.2434582085742099
Energy: 1.3179386078052624
Energy: 1.2647200561164018
Energy: 1.2242177872308797
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Energy: 1.2764068997431721
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Energy: 1.2897562611249966
Energy: 1.2217372853588304
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Energy: 1.2506881293740748
Energy: 1.2500250947725629
Energy: 1.2531076833522365
Energy: 1.2335391708605659
Energy: 1.2547925214044713
Energy: 1.2217401837074209
Energy: 1.2266633190469307
Energy: 1.2276782613022983
Energy: 1.3548940458583008
Energy: 1.1968600023724123
Energy: 1.2661130462780334
Energy: 1.2627443581450597
Energy: 1.2193785885463035
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Energy: 1.2477028170806652
Energy: 1.2265265780981245
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Energy: 1.294359441354312
Energy: 1.2415436360971277
Energy: 1.250951190386514
Energy: 1.2469735228674057
Energy: 1.2925865989718264
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Energy: 1.1981866553004628
Energy: 1.3208682396732374
Energy: 1.388385433876757
Energy: 1.3709870031831604
Energy: 1.3281960690145975
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Energy: 1.2767800158180729
Energy: 1.2505511517303476
Energy: 1.289208908885375
Energy: 1.3118912047570002
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Energy: 1.2489994153494959
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Energy: 1.250790049364074
Energy: 1.2711975637953545
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Energy: 1.3093009424285227
Energy: 1.3160764531635991
Energy: 1.2682105841549558
Energy: 1.3642541500925671
Energy: 1.3118123630762246
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Energy: 1.2803781159077035
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Energy: 1.281625935386793
Energy: 1.3568623879192339
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Energy: 1.3652388212601634
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Energy: 1.3187919896274614
Energy: 1.3141209408928431
Energy: 1.3015332758521865
Energy: 1.307663186335243
Energy: 1.273897887827483
Energy: 1.2725677629133438
Energy: 1.2511402342140152
Energy: 1.2497630483930176
Energy: 1.2348907625015653
Energy: 1.311332337128294
Energy: 1.3224039384073616
Energy: 1.312447992991215
Energy: 1.3120185053770541
Energy: 1.3211141672683773
Energy: 1.3177022869323352
Energy: 1.24962830401612
Energy: 1.2521799162535376
Energy: 1.2723441808917961
Energy: 1.2484795487245892
Energy: 1.2443885214025951
Energy: 1.2985551906867006
Energy: 1.2247473940435338
Energy: 1.257861529554509
Energy: 1.2410090468927164
Energy: 1.2395862411531324
Energy: 1.249651082896888
Energy: 1.2486037767249973
Energy: 1.2766419857224465
Energy: 1.223162800610192
Energy: 1.3703671234740842
Energy: 1.3554315732683113
Energy: 1.2487849689950294
Energy: 1.2398360851675865
Energy: 1.2944946665031454
Energy: 1.221139400384352
Energy: 1.2242782284250089
Energy: 1.2746115649055918
Energy: 1.2506738590081141
Energy: 1.2339786437028104
Energy: 1.3655964286420117
Energy: 1.3115408682448668
Energy: 1.3538327867977389
Energy: 1.3505361052987586
Energy: 1.3007075516884095
Energy: 1.2267954044527587
Energy: 1.2227781416636776
Energy: 1.2552741217990315
Energy: 1.2487113157581697
Energy: 1.199498906987762
Energy: 1.2631343673593505
Energy: 1.3048680147890304
Energy: 1.2337289544487569
Energy: 1.3552874777302106
Energy: 1.2518556284851023
Energy: 1.2236477853253014
Energy: 1.2235479966710252
Energy: 1.289349085913098
Energy: 1.2261901525631753
Energy: 1.2542617734969137
Energy: 1.24902437932971
Energy: 1.2553697006490723
Energy: 1.2371430616847958
Energy: 1.2339386323825299
Energy: 1.2761186601010595
Energy: 1.223430416152942
Energy: 1.2418248924037691
Energy: 1.2640116765789895
Energy: 1.2347431131405262
Energy: 1.2330924329366824
Energy: 1.2535155409994954
Energy: 1.3575660359986654
Energy: 1.32201349401743
Energy: 1.302854909273461
Energy: 1.2829668657704612
Energy: 1.2791645555371056
Energy: 1.2223905347246793
Energy: 1.2656248360057023
Energy: 1.3203773581097502
Energy: 1.240386940055048
Energy: 1.2341645790643074
Energy: 1.3595753722104698
Energy: 1.310624235835953
Energy: 1.3450988563934592
Energy: 1.3308280000452608
Energy: 1.2559636265961827
Energy: 1.3197790488289203
Energy: 1.2645962673297837
Energy: 1.2661465755433419
Energy: 1.2711087267711032
Energy: 1.2227631177440046
Energy: 1.2809949187951701
Energy: 1.271163366142682
Energy: 1.361226250574007
Energy: 1.2572441566323698
Energy: 1.2494212456984817
Energy: 1.2464150576414466
Energy: 1.268660495143088
Energy: 1.267430520927557
Energy: 1.3038356947060565
Energy: 1.3698265758274946
Energy: 1.2334052702952694
Energy: 1.2406835848283981
Energy: 1.318660599955969
Energy: 1.2537946949710648
Energy: 1.3558842063467644
Energy: 1.3571797827304712
Energy: 1.2641822165478438
Energy: 1.2591751955754964
Energy: 1.2652702863644085
Energy: 1.3593951049912945
Energy: 1.3121637163973567
Energy: 1.2891046043652745
Energy: 1.3782929516952858
Energy: 1.2401474731902142
Energy: 1.2821367271940918
Energy: 1.3550019987252153
Energy: 1.2652661113655883
Energy: 1.2498797300494604
Energy: 1.264822077434402
Energy: 1.2715471741781865
Energy: 1.3284500224936235
Energy: 1.2731032929702304
Energy: 1.3326839875395153
Energy: 1.248457394634794
Energy: 1.2321152638855404
Energy: 1.310944348362436
Energy: 1.2745361430030397
Energy: 1.3007220867346505
Energy: 1.2643109384319107
Energy: 1.2378989285019197
Energy: 1.2375537815668658
Energy: 1.3517652640028963
Energy: 1.2459166334309166
Energy: 1.3631817584817103
Energy: 1.347059578471442
Energy: 1.233245688152735
Energy: 1.240792520012261
Energy: 1.3311375100156129
Energy: 1.3189079328741604
Energy: 1.3014589342906762
Energy: 1.2549982854775106
Energy: 1.281810957562964
Energy: 1.3566396262676326
Energy: 1.3086131561929821
Energy: 1.3569542299086848
Energy: 1.2528667579718133
Energy: 1.2327279675095653
Energy: 1.2344950194092452
Energy: 1.2641951264482933
Energy: 1.2234809140171181
Energy: 1.2223694290678655
Energy: 1.2607992955818679
Energy: 1.3125842071538198
Energy: 1.238651447864203
Energy: 1.2524200175425
Energy: 1.250118335653543
Energy: 1.2533247175705051
Energy: 1.2329624390519691
Energy: 1.2539765788167767
Energy: 1.2218396946633703
Energy: 1.2452181913291696
Energy: 1.2543010257231106
Energy: 1.1990951435012591

minimum gb energy = 1.1968600023724123 eV
minimum distance =  2.25520563951966 Angstroms
sigma value = 437


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

Energy: 1.4182738529122212
Energy: 1.145924115437214
Energy: 1.164378191423506
Energy: 1.2257798181295734
Energy: 1.194246225578791
Energy: 1.218628222214695
Energy: 1.1962242696103023
Energy: 1.1933800474938214
Energy: 1.1630080329679884
Energy: 1.146331174912855
Energy: 1.200166631968687
Energy: 1.2268048291985123
Energy: 1.1936340365716087
Energy: 1.2307419709728376
Energy: 1.1976313107011625
Energy: 1.1623355864386806
Energy: 1.1953092751090455
Energy: 1.219062887925226
Energy: 1.2006544574650349
Energy: 1.1968973517931187
Energy: 1.3869339273464278
Energy: 1.2167733741236642
Energy: 1.3690384740282815
Energy: 1.2175051051490762
Energy: 1.222844799532664
Energy: 1.1915206824170252
Energy: 1.1955327347116944
Energy: 1.192155822957655
Energy: 1.2196216010845424
Energy: 1.1969547386869068
Energy: 1.2807494055342794
Energy: 1.227100846013627
Energy: 1.224068953911985
Energy: 1.2043322726914019
Energy: 1.2164024831111293
Energy: 1.1906831316070345
Energy: 1.1632329134567645
Energy: 1.1629316041344953
Energy: 1.1490085832514372
Energy: 1.196441073131207
Energy: 1.1921379906994243
Energy: 1.1910318083553173
Energy: 1.1693787402263343
Energy: 1.1667519655305727
Energy: 1.1721464940567885
Energy: 1.1631760373043536
Energy: 1.1919633332148585
Energy: 1.1966095255475218
Energy: 1.2328777172345295
Energy: 1.2274646849430724
Energy: 1.2188001856342194
Energy: 1.2279615832898507
Energy: 1.2174345331587832
Energy: 1.2313416594998103
Energy: 1.191757883507245
Energy: 1.191423134913798
Energy: 1.192083557436402
Energy: 1.1926055096030483
Energy: 1.3858982221609573
Energy: 1.2153084214778853
Energy: 1.199081893006607
Energy: 1.228898304786965
Energy: 1.228311791756818
Energy: 1.2181571759774426
Energy: 1.2329450963654704
Energy: 1.1933572500693599
Energy: 1.1980408414187596
Energy: 1.2308467967075287
Energy: 1.2807109813091477
Energy: 1.1969309207465058
Energy: 1.1986809211166878
Energy: 1.1630184079360573
Energy: 1.1630612619638616
Energy: 1.1775890490997605
Energy: 1.2835484633794965
Energy: 1.1633182672953903
Energy: 1.192001059694936
Energy: 1.193082586970742
Energy: 1.1648854057258846
Energy: 1.1721788202921182
Energy: 1.3884979586169828
Energy: 1.2213435930495244
Energy: 1.1915638918058806
Energy: 1.2283486069810123
Energy: 1.2283540948418101
Energy: 1.161896402713616
Energy: 1.2188791299398918
Energy: 1.194850674242209
Energy: 1.2177074116297495
Energy: 1.2310571071096532
Energy: 1.193845072095934
Energy: 1.2264977470025615
Energy: 1.3722811648104531
Energy: 1.2196270196526422
Energy: 1.2207577368727376
Energy: 1.2211598494218103
Energy: 1.162866980460117
Energy: 1.1632517943105876
Energy: 1.2042031725024847
Energy: 1.204991599193924
Energy: 1.1636433549244118
Energy: 1.1696956767071474
Energy: 1.1916604248209588
Energy: 1.1626653324074563
Energy: 1.1928390080278528
Energy: 1.1912441107540996
Energy: 1.163197566432851
Energy: 1.2805962684580703
Energy: 1.1857134848059419
Energy: 1.2000811805674372
Energy: 1.2282640715498379
Energy: 1.2295963103285277
Energy: 1.2209933004938764
Energy: 1.2798473724341857
Energy: 1.1918852203834427
Energy: 1.1620920657974247
Energy: 1.196825019572823
Energy: 1.1960631818384035
Energy: 1.3895722830391883
Energy: 1.2243791925330354
Energy: 1.2175764576443895
Energy: 1.2342181352021873
Energy: 1.218070487163229
Energy: 1.1994463479184623
Energy: 1.197110682832005
Energy: 1.1890648310138827
Energy: 1.1930013660634375
Energy: 1.1917021409813722
Energy: 1.194215063620081
Energy: 1.224420778444392
Energy: 1.2015250554787031
Energy: 1.1933619632277332
Energy: 1.1925942857859249
Energy: 1.2243273096677179
Energy: 1.2294229566961832
Energy: 1.1627818125260065
Energy: 1.233094673456154
Energy: 1.16239198212267
Energy: 1.164316743482433
Energy: 1.1465991304522323

minimum gb energy = 1.145924115437214 eV
minimum distance =  2.26951401074391 Angstroms
sigma value = 33