Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000368356705
cohesive_energy=4.450349990424746
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.02053800920758839
Energy: 0.4801725790103417
Energy: 0.4801725790103417
Energy: 0.02053800920758839
Energy: 0.4801725790103417
Energy: 0.4801725790103417
Energy: 0.02053800920758839
Energy: 0.4801725790103417
Energy: 0.4801725790103417
Energy: 0.02053800920758839
Energy: 0.47734862762629493
Energy: 0.02419071657832358
Energy: 0.4772461015327001
Energy: 0.47734862762629493
Energy: 0.02419071657832358
Energy: 0.47724610153422464
Energy: 0.47734862762781954
Energy: 0.02419071657832358
Energy: 0.4772461015327001
Energy: 0.47734862762629493
Energy: 0.9905365710341208
Energy: 0.2887495241331135
Energy: 0.2887495241315889
Energy: 0.9905364346776031
Energy: 0.2887495241315889
Energy: 0.2887495241315889
Energy: 0.9905365017068425
Energy: 0.2887495241331135
Energy: 0.2887495241315889
Energy: 0.9905366702529222
Energy: 0.47734862762629493
Energy: 0.47724610153117536
Energy: 0.02419071657832358
Energy: 0.47734862762781954
Energy: 0.47724610153117536
Energy: 0.02419071657832358
Energy: 0.47734862762629493
Energy: 0.47724610153117536
Energy: 0.02419071657832358
Energy: 0.47734862762781954
Energy: 0.02053800920758839
Energy: 0.4801725790118664
Energy: 0.4801725790103417
Energy: 0.02053800920758839
Energy: 0.4801725790118664
Energy: 0.4801725790118664
Energy: 0.02053800920758839
Energy: 0.4801725790118664
Energy: 0.4801725790103417
Energy: 0.02053800920758839
Energy: 0.47734862762629493
Energy: 0.02419071657832358
Energy: 0.4772461015327001
Energy: 0.47734862762781954
Energy: 0.02419071657832358
Energy: 0.47724610153117536
Energy: 0.47734862762781954
Energy: 0.02419071657832358
Energy: 0.4772461015327001
Energy: 0.47734862762629493
Energy: 0.9905364454074456
Energy: 0.2887495241315889
Energy: 0.7865705476227615
Energy: 0.9905368274717983
Energy: 0.2887495241315889
Energy: 0.2887495241331135
Energy: 0.9905364760715881
Energy: 0.2887495241315889
Energy: 0.2887495241331135
Energy: 0.9905365694279327

minimum gb energy = 0.02053800920758839 eV
minimum distance =  2.28424282923103 Angstroms
sigma value = 3


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

Energy: 1.1129808842338846
Energy: 1.23577716940667
Energy: 1.23569777169938
Energy: 1.0752353739933023
Energy: 1.23577716940667
Energy: 1.2356977717031143
Energy: 1.1129808842338846
Energy: 1.2357771694029356
Energy: 1.23569777169938
Energy: 1.0752353739933023
Energy: 1.056278731760122
Energy: 1.070652079657887
Energy: 1.2275372011135988
Energy: 1.0562787317638564
Energy: 1.0706520796616212
Energy: 1.2275372011098642
Energy: 1.0562787317638564
Energy: 1.0706520796616212
Energy: 1.2275372011061298
Energy: 1.0562787317563875
Energy: 0.9986815242078034
Energy: 1.202271765737688
Energy: 1.357297517833514
Energy: 1.036791663078071
Energy: 1.2022717657339534
Energy: 1.3572975188637504
Energy: 0.9986815242152722
Energy: 1.2022717657264848
Energy: 1.357297519356496
Energy: 1.036791663078071
Energy: 1.2359299199509373
Energy: 1.277119331470031
Energy: 0.9286539252515976
Energy: 1.2359299199472027
Energy: 1.2771193314737654
Energy: 0.928653925247863
Energy: 1.2359299199509373
Energy: 1.2771193314775
Energy: 0.9286539252515976
Energy: 1.2359299199472027
Energy: 0.8918099187576922
Energy: 1.1710449659791655
Energy: 1.2242765751152092
Energy: 0.8918099187576922
Energy: 1.1712907291430863
Energy: 1.223696867585488
Energy: 0.8918099187576922
Energy: 1.1710449659791655
Energy: 1.2242765751114748
Energy: 0.8918099187576922
Energy: 1.3474806702756823
Energy: 0.9286067141602579
Energy: 1.243624948697852
Energy: 1.347480670271948
Energy: 0.9286067141639923
Energy: 1.2436249486941175
Energy: 1.3474806702794169
Energy: 0.9286067141677268
Energy: 1.2436249486941175
Energy: 1.3474806702756823
Energy: 1.2690692262995287
Energy: 0.9287526416377799
Energy: 1.2354172774345338
Energy: 1.269069226303263
Energy: 0.9287526416415144
Energy: 1.2354172774307992
Energy: 1.2690692263069976
Energy: 0.9287526416377799
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Energy: 1.2690692263069976
Energy: 1.208168823772354
Energy: 1.2083413923066857
Energy: 1.0627324760487662
Energy: 1.2081688237760881
Energy: 1.2083413923066857
Energy: 1.0627345608836483
Energy: 1.208168823772354
Energy: 1.2083413923066857
Energy: 1.0627324760450316
Energy: 1.208168823772354
Energy: 1.0105022077720236
Energy: 1.2686610562549117
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Energy: 1.268661056258646
Energy: 1.2356854752994963
Energy: 1.011095984787572
Energy: 1.1325752327365681
Energy: 1.2817037821638222
Energy: 1.077073365289301
Energy: 1.1332637061204724
Energy: 1.28170375884122
Energy: 1.1351058436378165
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Energy: 1.0770733652930355
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Energy: 1.2355213200925477
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Energy: 1.235584607167928
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Energy: 1.2225035875999932
Energy: 1.004149029291318
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Energy: 1.142971031326615
Energy: 1.1715159649897737
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Energy: 1.142971031326615
Energy: 1.171515958128887
Energy: 1.1020615694476998
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Energy: 1.171515964941226
Energy: 1.24927038483857
Energy: 0.9286767115865897
Energy: 1.2490163324742194
Energy: 1.2492703848460391
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Energy: 1.2492703848497735
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Energy: 1.2490163324742194
Energy: 1.2492703848460391
Energy: 1.2080216630395915
Energy: 1.207689291738315
Energy: 1.070720512049876
Energy: 1.208021663043326
Energy: 1.207689291738315
Energy: 1.0707337454135455
Energy: 1.2080216630470606
Energy: 1.207689291738315
Energy: 1.0707205120536105
Energy: 1.208021663043326
Energy: 1.0162426499395514
Energy: 1.008379855933168
Energy: 1.2850226666839832
Energy: 1.016242649935817
Energy: 1.0083798559295014
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Energy: 1.016242649935817
Energy: 1.008379855925767
Energy: 1.285022666680249
Energy: 1.016242649943286
Energy: 1.121140272767168
Energy: 1.236389099730662
Energy: 1.2356157486807133
Energy: 1.0819581596347851
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Energy: 1.2356157486732444
Energy: 1.1211402727596989
Energy: 1.2363890997343965
Energy: 1.235615748676979
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Energy: 1.194898873539634
Energy: 1.0626995731635525
Energy: 1.1949381298039436
Energy: 1.1948988735358994
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Energy: 1.0626995731635525
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Energy: 1.194898873539634
Energy: 1.2350915057421812
Energy: 1.2357166407097195
Energy: 0.9287170822461366
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Energy: 1.2357166407097195
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Energy: 1.2357166407022508
Energy: 0.9287170822461366
Energy: 1.2350915057384466
Energy: 1.2797067987864572
Energy: 1.1151750942039975
Energy: 0.9367265576557259
Energy: 1.2797065226297997
Energy: 1.1156520346497407
Energy: 0.9367265576594603
Energy: 1.2797062270066106
Energy: 1.1151750942002632
Energy: 0.9367265576594603
Energy: 1.279706564620098
Energy: 0.8916766411952908
Energy: 1.2244987679878745
Energy: 1.1713546761782794
Energy: 0.8916766411915563
Energy: 1.224185553588567
Energy: 1.1713408881384668
Energy: 0.8916766411915563
Energy: 1.224498767999078
Energy: 1.1713546761708105
Energy: 0.8916766411952908
Energy: 1.2486596357306923
Energy: 0.9284023390430889
Energy: 1.268838713968255
Energy: 1.2486596357344268
Energy: 0.9284023390468233
Energy: 1.268838713968255
Energy: 1.2486596357418958
Energy: 0.9284023390468233
Energy: 1.268838713968255
Energy: 1.2486596357344268
Energy: 1.042422698280455
Energy: 1.3723631680218145
Energy: 1.065167925679622
Energy: 1.0424226982767204
Energy: 1.37236316801808
Energy: 1.0651679256833566
Energy: 1.0424226982767204
Energy: 1.37236316801808
Energy: 1.065167925679622
Energy: 1.042422698280455
Energy: 1.0113283521930165
Energy: 1.2324340829858516
Energy: 1.0709640429181555
Energy: 1.0113283521930165
Energy: 1.232434082982117
Energy: 1.0709823459270846
Energy: 1.0113283521930165
Energy: 1.2324340829858516
Energy: 1.0709640429144212
Energy: 1.0113283521967509
Energy: 1.0067178555588516
Energy: 1.23577716940667
Energy: 1.2356977716956454
Energy: 1.0072204269085325
Energy: 1.23577716940667
Energy: 1.2356977717031143
Energy: 1.006717855555117
Energy: 1.2357771694029356
Energy: 1.23569777169938
Energy: 1.0072204269122669
Energy: 1.056278731760122
Energy: 1.0706520796616212
Energy: 1.2275372011135988
Energy: 1.0562787317638564
Energy: 1.0706520796653558
Energy: 1.2275372011098642
Energy: 1.0562787317638564
Energy: 1.0706520796616212
Energy: 1.2275372011098642
Energy: 1.0562787317563875
Energy: 1.0309367185241314
Energy: 1.202271765737688
Energy: 1.3572975229175437
Energy: 1.036140508207308
Energy: 1.202271765737688
Energy: 1.3572975149331266
Energy: 1.0309367185203968
Energy: 1.2022717657264848
Energy: 1.3572975166875094
Energy: 1.036140508207308
Energy: 1.2359299199509373
Energy: 1.2771193314737654
Energy: 0.928653925247863
Energy: 1.2359299199509373
Energy: 1.2771193314737654
Energy: 0.928653925247863
Energy: 1.2359299199509373
Energy: 1.2771193314775
Energy: 0.9286539252515976
Energy: 1.2359299199509373

minimum gb energy = 0.8916766411915563 eV
minimum distance =  2.31579266443989 Angstroms
sigma value = 75


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

Energy: 1.182297924524409
Energy: 0.9841319366938373
Energy: 0.9841430742314391
Energy: 1.081649795046617
Energy: 0.9841319366974818
Energy: 0.9841430742296171
Energy: 1.182297924526231
Energy: 0.9841319366956596
Energy: 0.9841430742277948
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Energy: 1.1840839773034568
Energy: 1.1541451857134752
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Energy: 0.9834685576721072
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Energy: 1.0800398155172772
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Energy: 1.1132317686663094
Energy: 1.0222895000876753
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Energy: 1.0902589829398934
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Energy: 1.1588835850726014
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minimum gb energy = 0.9805710214650376 eV
minimum distance =  2.19340647146718 Angstroms
sigma value = 105


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

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Energy: 1.1940583414262929
Energy: 1.122141521026285
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Energy: 1.126288330598566
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Energy: 1.1902856168797378
Energy: 1.1262883305965101
Energy: 1.1417317149477129
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Energy: 1.1417317149477129
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Energy: 1.1815500759034696
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Energy: 1.1627494461969903
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Energy: 1.0896524382955528
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Energy: 1.0896524382955528
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Energy: 1.1322894335554134
Energy: 1.2517635718268498
Energy: 1.1418200477050813
Energy: 1.196099978366177
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Energy: 1.2517635718247944
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Energy: 1.1171953794493255
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Energy: 1.1171953794472698
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Energy: 1.1171953794493255
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Energy: 1.1785154602465366
Energy: 1.177182720163677
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Energy: 1.2263009416462476
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Energy: 1.2263009416462476
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Energy: 1.1784083217846255
Energy: 1.226300941644192
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Energy: 1.1421830055017623
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Energy: 1.1784796298474831
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Energy: 1.2781045810329752
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Energy: 1.1737531447483873
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Energy: 1.2781045810329752
Energy: 1.1737531447524987
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Energy: 1.1965056285628815
Energy: 1.121252289848279
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Energy: 1.1212522898503348
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Energy: 1.2201591382818973
Energy: 1.1775369313596862
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Energy: 1.1796837017327169
Energy: 1.1775369313576303
Energy: 1.2021518448151252
Energy: 1.1796837017306612
Energy: 1.1775369313576303
Energy: 1.2021518448253663
Energy: 1.1796837017327169
Energy: 1.1775369313596862
Energy: 1.1427123594497761
Energy: 1.1794324277408255
Energy: 1.191643046161851
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Energy: 1.1794324277408255
Energy: 1.191643046161851
Energy: 1.1427123594497761
Energy: 1.1794324277408255
Energy: 1.191643046161851
Energy: 1.1427123594497761
Energy: 1.1540814180318657
Energy: 1.12092117374766
Energy: 1.17664526894995
Energy: 1.1540814180318657
Energy: 1.1209211737456042
Energy: 1.1766452689478941
Energy: 1.1540814180339216
Energy: 1.12092117374766
Energy: 1.17664526894995
Energy: 1.1540814180318657
Energy: 1.217937632877101
Energy: 1.1203377391885274
Energy: 1.1353286208029432
Energy: 1.217937632877101
Energy: 1.1203377391905833
Energy: 1.1353286208008873
Energy: 1.217937632877101
Energy: 1.1203377391905833
Energy: 1.1353286208029432
Energy: 1.217937632877101
Energy: 1.1749225249177058
Energy: 1.19807543710633
Energy: 1.1376577103687524
Energy: 1.1749225249197617
Energy: 1.1980754371042746
Energy: 1.1376577103666967
Energy: 1.1749225249197617
Energy: 1.19807543710633
Energy: 1.1376577103687524
Energy: 1.1749225249197617
Energy: 1.1323053760696715
Energy: 1.259976218377108
Energy: 1.1469665126772643
Energy: 1.132305376067616
Energy: 1.2599762183750522
Energy: 1.1469665126752089
Energy: 1.1323053760696715
Energy: 1.259976218377108
Energy: 1.1469665126752089
Energy: 1.132305376067616
Energy: 1.0774040015922215
Energy: 1.1578477323610614
Energy: 1.1894540205708724
Energy: 1.0774035227073062
Energy: 1.1578477323610614
Energy: 1.1894540205667608
Energy: 1.0774029236286191
Energy: 1.1578477323610614
Energy: 1.1894540205708724
Energy: 1.0774040162493739
Energy: 1.1934303496073453
Energy: 1.1207709948707485
Energy: 1.2218562602272687
Energy: 1.1934303496052894
Energy: 1.1207709948686926
Energy: 1.2218562602252132
Energy: 1.1934303496073453
Energy: 1.1207709948707485
Energy: 1.2218562602272687
Energy: 1.1934303496052894

minimum gb energy = 1.0774029236286191 eV
minimum distance =  2.26429414473167 Angstroms
sigma value = 165


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

Energy: 1.1051493951848865
Energy: 1.135165140752173
Energy: 1.1743682308629597
Energy: 1.0502769811080497
Energy: 1.135165140752173
Energy: 1.1743682308629597
Energy: 1.1051493951820637
Energy: 1.1351651407514671
Energy: 1.1743682308629597
Energy: 1.050276981107344
Energy: 1.2237318881346464
Energy: 1.0482748577116399
Energy: 1.23358833731465
Energy: 1.2237318881367638
Energy: 1.0482748577109342
Energy: 1.2335883373139445
Energy: 1.223731888135352
Energy: 1.0482748577123455
Energy: 1.233588337312533
Energy: 1.223731888135352
Energy: 1.14294594964607
Energy: 1.2531412729452416
Energy: 1.0840298588017176
Energy: 1.1429459496446586
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Energy: 1.083988434457804
Energy: 1.1429459496432472
Energy: 1.2531412729424183
Energy: 1.0840298588038348
Energy: 1.142945949646776
Energy: 1.2245443976930903
Energy: 1.2970383393623888
Energy: 1.0628740855756058
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Energy: 1.2970383393645062
Energy: 1.0628740855777232
Energy: 1.2245443976952075
Energy: 1.2970383393638005
Energy: 1.0628740855777232
Energy: 1.2245443976952075
Energy: 1.2014342128220028
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Energy: 1.2014342125828827
Energy: 1.201480823656129
Energy: 1.0357541238226673
Energy: 1.20143421246297
Energy: 1.2014808236582462
Energy: 1.0357541238240788
Energy: 1.2014342125518298
Energy: 1.0713999973825228
Energy: 1.3202029094503431
Energy: 1.2661998802555912
Energy: 1.07139999738464
Energy: 1.3202029094524603
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Energy: 1.0713999973789938
Energy: 1.3202029094517547
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Energy: 1.260434981755398
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Energy: 1.0486438990164306
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Energy: 1.0491749216269164
Energy: 1.0486438990157247
Energy: 1.2604349817568092
Energy: 1.135351003742436
Energy: 1.1731463173629648
Energy: 1.1834212576558811
Energy: 1.1353510037431418
Energy: 1.1731463173636707
Energy: 1.1833522075722576
Energy: 1.1353510037452588
Energy: 1.1731463173615535
Energy: 1.1834212576558811
Energy: 1.1353510037452588
Energy: 1.1268102033877334
Energy: 1.2549908836905772
Energy: 1.3206934587555434
Energy: 1.0721714793848878
Energy: 1.2549908836884598
Energy: 1.3206934587562493
Energy: 1.1268102033877334
Energy: 1.2549908836863428
Energy: 1.3206934587576604
Energy: 1.0721714793884165
Energy: 1.097515496132978
Energy: 1.141030687306517
Energy: 1.3039250386167751
Energy: 1.1355036163301238
Energy: 1.1410306873093397
Energy: 1.210217849455943
Energy: 1.0975154961336837
Energy: 1.1410306873191565
Energy: 1.3039250386195982
Energy: 1.135503616331535
Energy: 1.2341288059764732
Energy: 1.063078742062969
Energy: 1.1752057507276388
Energy: 1.2341288059785904
Energy: 1.0630787420602104
Energy: 1.1752057507262272
Energy: 1.2341288059757676
Energy: 1.0630787420587988
Energy: 1.175205750726933
Energy: 1.2341288059757676
Energy: 1.1962129539091817
Energy: 1.0851058070050295
Energy: 1.2406326215353254
Energy: 1.1962129539084758
Energy: 1.0851058070036181
Energy: 1.2406326212602123
Energy: 1.196212953910593
Energy: 1.0851058070050295
Energy: 1.2406326201675233
Energy: 1.1962129539063586
Energy: 1.1392650453934978
Energy: 1.143864437592072
Energy: 1.0484174085727533
Energy: 1.1392650453906747
Energy: 1.1438644375899547
Energy: 1.048417408571342
Energy: 1.139265045392086
Energy: 1.1438644375906601
Energy: 1.0484174085727533
Energy: 1.1392650453913804
Energy: 1.0502769811059325
Energy: 1.1351651407500558
Energy: 1.1743682308608425
Energy: 1.0502769811080497
Energy: 1.1351651407493497
Energy: 1.1743682308622543
Energy: 1.0502769811052268
Energy: 1.135165140752173
Energy: 1.1743682308636654
Energy: 1.0502769811080497

minimum gb energy = 1.0357541238226673 eV
minimum distance =  2.30250755090323 Angstroms
sigma value = 41


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

Energy: 1.1865290104252575
Energy: 1.0892332819782085
Energy: 1.0892704218087323
Energy: 1.1457517242008528
Energy: 1.0892332819782085
Energy: 1.0892704218087323
Energy: 1.1865290104252575
Energy: 1.0892332819782085
Energy: 1.0892704218087323
Energy: 1.1457517242008528
Energy: 1.1254271697215232
Energy: 0.9589723220551613
Energy: 1.1029318854019194
Energy: 1.1254271697215232
Energy: 0.958972322052473
Energy: 1.1029318853991812
Energy: 1.1254271697242617
Energy: 0.9589723220551613
Energy: 1.1029318853991812
Energy: 1.125427169727
Energy: 0.9973692231013721
Energy: 0.9457358414057123
Energy: 0.9795774237806812
Energy: 0.9973692231041104
Energy: 0.9457358414002358
Energy: 0.9795700593738075
Energy: 1.0572931755704356
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Energy: 0.9795774237806812
Energy: 1.0821057243382957
Energy: 0.9705932485862488
Energy: 0.9701758490408965
Energy: 0.9826648597823913
Energy: 0.9705932485917254
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Energy: 0.9823456376040712
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Energy: 0.9701758490381583
Energy: 0.9826648597823913
Energy: 0.9705932485917254
Energy: 0.9986550385840133
Energy: 1.0857353092431203
Energy: 0.9808072288716314
Energy: 0.9986550385785369
Energy: 1.0857353092376438
Energy: 0.9807737133304509
Energy: 0.998655038581275
Energy: 1.0857353092458584
Energy: 0.980807228868893
Energy: 0.9986550385785369
Energy: 0.9655838415358693
Energy: 1.026997239600036
Energy: 1.033091784323866
Energy: 0.9655838415331311
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Energy: 1.033091784323866
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Energy: 1.026997239600036
Energy: 1.033091784323866
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Energy: 0.9838635345251325
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Energy: 1.0941484932723171
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Energy: 1.0941484932777936
Energy: 0.9838635345251325
Energy: 0.9454241302868306
Energy: 1.094148493269579
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Energy: 1.0872389267734313
Energy: 0.9757495231157771
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Energy: 0.9764324717646296
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Energy: 1.0872389267761693
Energy: 0.975749523113039
Energy: 1.1037735196661886
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Energy: 1.0338373780379515
Energy: 1.1622450940327207
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Energy: 1.1622450940381974
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Energy: 1.0338373780406898
Energy: 1.1622450940381974
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Energy: 1.033837378043428
Energy: 0.948167496346068
Energy: 1.1037456678223627
Energy: 0.9985850407196082
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Energy: 1.1037456678141482
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Energy: 1.1037456678168862
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Energy: 0.948167496346068
Energy: 0.9664343657346326
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Energy: 0.9664343657318943
Energy: 0.9759327792302347
Energy: 0.9759986132554406
Energy: 0.9664343657346326
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Energy: 0.9805996018295433
Energy: 1.067596075986498
Energy: 0.9552286501503701
Energy: 0.9802012207199255
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Energy: 0.9805996018377582
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Energy: 0.9552286501421554
Energy: 1.0778829180446607
Energy: 0.9700106148785252
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Energy: 0.9700106148757871
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Energy: 1.090718217047325
Energy: 0.9598272438856246
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Energy: 0.9646864601454911
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Energy: 1.0827778024674835
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Energy: 1.082777802464745
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Energy: 1.0274462997653964
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Energy: 1.0314642284970696
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Energy: 1.0776756368406546
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Energy: 0.9666064774151236
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Energy: 0.9428409275485978
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Energy: 0.9666064774123853
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Energy: 1.0345060015732555
Energy: 1.1560443175823192
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Energy: 1.0345060015732555
Energy: 1.156044317579581
Energy: 0.9762872588581296
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Energy: 1.156044317579581
Energy: 1.0703644814571276
Energy: 0.9800267013734708
Energy: 0.9509703611505028
Energy: 1.0703644814489128
Energy: 0.9800267013762092
Energy: 0.9509703611477647
Energy: 1.0703644814652924
Energy: 0.9800267013762092
Energy: 0.9509703611477647
Energy: 1.0703644814297453
Energy: 0.9761412263330019
Energy: 0.9757180603847541
Energy: 0.9651108013594253
Energy: 0.9761412263357402
Energy: 0.9757180603820157
Energy: 0.9651108013621637
Energy: 0.9761412263302637
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Energy: 0.9761412263357402
Energy: 1.0176769637846075
Energy: 1.2337369746852511
Energy: 0.963066151135547
Energy: 1.0176769637900838
Energy: 1.233736974682513
Energy: 0.9630661511382853
Energy: 1.0176769637955603
Energy: 1.2337369746852511
Energy: 0.963066151135547
Energy: 1.0176769637900838
Energy: 1.1864299221133392
Energy: 1.0284851408052704
Energy: 1.033970670455428
Energy: 1.1493257841304128
Energy: 1.0284851407997937
Energy: 1.0339706704581662
Energy: 1.1864299221160775
Energy: 1.0284851408052704
Energy: 1.0339706704609042
Energy: 1.1493257841276745
Energy: 1.1342455319837055
Energy: 0.9451680257129204
Energy: 1.0522754604472138
Energy: 1.1342455319837055
Energy: 0.9451680257211352
Energy: 1.052275460449952
Energy: 1.1342455319864435
Energy: 0.9451680257183969
Energy: 1.0522754604444755
Energy: 1.1342455319864435
Energy: 1.050743842540386
Energy: 0.9619319233880765
Energy: 0.9895963061631609
Energy: 1.0507438424911477
Energy: 0.9619319233908147
Energy: 0.9896144250399632
Energy: 1.0507438425047892
Energy: 0.961931923393553
Energy: 0.9895963061631609
Energy: 1.050743842493886
Energy: 1.0462397766364389
Energy: 1.144445299020596
Energy: 0.9704331718578311
Energy: 1.0462397766364389
Energy: 1.1444452990233343
Energy: 0.9704394374723113
Energy: 1.0462397766337006
Energy: 1.144445299020596
Energy: 0.9704331718605692
Energy: 1.0462397766364389
Energy: 0.9732781366530655
Energy: 1.0930101845722493
Energy: 0.9970830575581598
Energy: 0.9732781366530655
Energy: 1.0930101845722493
Energy: 0.997083057560898
Energy: 0.9732781366558038
Energy: 1.093010184574987
Energy: 0.9970830575554215
Energy: 0.9732781366558038
Energy: 0.9841166877100945
Energy: 0.9751756285606163
Energy: 0.9747210207372315
Energy: 0.9841166877100945
Energy: 0.9751756285606163
Energy: 0.9747210207372315
Energy: 0.9841166877128329
Energy: 0.9751756285551397
Energy: 0.9747210207344933
Energy: 0.9841166877073564
Energy: 0.9823552850102273
Energy: 1.0275596200869388
Energy: 1.0527799494823047
Energy: 0.9823552850157038
Energy: 1.0275596200842005
Energy: 1.0527799494823047
Energy: 0.9823552850129655
Energy: 1.027559620081462
Energy: 1.0527799494795664
Energy: 0.9823552850129655
Energy: 1.0942338760811803
Energy: 0.953155164709317
Energy: 1.1001153665538421
Energy: 1.0942338760729655
Energy: 0.9531551647175317
Energy: 1.1001153665483658
Energy: 1.0942338760729655
Energy: 0.9531551647147936
Energy: 1.1001153665483658
Energy: 1.0942338760757035
Energy: 1.088102035670934
Energy: 1.1129629806281838
Energy: 1.1462235909167586
Energy: 1.088102035670934
Energy: 1.112962980630922
Energy: 1.1462235909194969
Energy: 1.088102035670934
Energy: 1.112962980630922
Energy: 1.1462235909085938
Energy: 1.0881020356736724
Energy: 0.9660344898041769
Energy: 1.152764451321819
Energy: 1.0147608055395927
Energy: 0.9660344897987004
Energy: 1.1530853708717919
Energy: 1.0147608055395927
Energy: 0.9660344897987004
Energy: 1.1527644513245567
Energy: 1.0147608055395927
Energy: 0.9660344898014387
Energy: 0.9498028025659581
Energy: 0.9760903903134749
Energy: 0.9775062458202778
Energy: 0.9498028025632197
Energy: 0.9760988873780606
Energy: 0.9775148342960073
Energy: 0.9498028025604816
Energy: 0.9760903903079983
Energy: 0.9775062458202778
Energy: 0.9498028025632197
Energy: 0.9585119227632228
Energy: 0.9799381624063712
Energy: 0.9708347557673375
Energy: 0.9585119227659611
Energy: 0.9799566035487357
Energy: 0.9708347557700756
Energy: 0.9585119227686993
Energy: 0.979938162403633
Energy: 0.9708347557673375
Energy: 0.9585119227632228
Energy: 1.1037120780235743
Energy: 0.9866910935344155
Energy: 1.0419127729347004
Energy: 1.1037120780263125
Energy: 0.9866851647875401
Energy: 1.041912772940177
Energy: 1.103712078029051
Energy: 0.9866910935344155
Energy: 1.0419127729374387
Energy: 1.1037120780235743
Energy: 1.027826003922364
Energy: 1.032181279133117
Energy: 0.9619665244724975
Energy: 1.027826003922364
Energy: 1.0321812791385936
Energy: 0.9619665244724975
Energy: 1.0278260039251021
Energy: 1.0321812791358553
Energy: 0.9619665244724975
Energy: 1.0278260039278404

minimum gb energy = 0.9428409275431213 eV
minimum distance =  2.23148617418671 Angstroms
sigma value = 185


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

Energy: 0.7993420123667874
Energy: 0.5731727455079099
Energy: 0.5413229166067719
Energy: 0.5232802074485317
Energy: 0.5731727455076143
Energy: 0.5413229166064173
Energy: 0.7993420123677919
Energy: 0.5731727455115149
Energy: 0.5413229166077175
Energy: 0.5232802074488863
Energy: 0.7230294636537032
Energy: 0.5290523287615335
Energy: 0.6566433219837462
Energy: 0.7230294636495074
Energy: 0.5290523287553871
Energy: 0.7837915590098589
Energy: 0.7230294636459023
Energy: 0.529052328761888
Energy: 0.6566433219789001
Energy: 0.723029463647557
Energy: 0.4667020499510511
Energy: 0.5768450721439636
Energy: 0.5475399725976102
Energy: 0.5785560239199722
Energy: 0.5768450721446139
Energy: 0.4578368787189417
Energy: 0.46670204995264686
Energy: 0.5768450721449684
Energy: 0.5475399725992058
Energy: 0.5785560239164262
Energy: 0.7731902898684639
Energy: 0.5408971143293937
Energy: 0.6810011279870478
Energy: 0.7731902898655091
Energy: 0.5408971143300438
Energy: 0.6810011279909484
Energy: 0.7731902898700596
Energy: 0.5408971143345943
Energy: 0.6810011279928987
Energy: 0.7731902898704142
Energy: 0.5413052428492081
Energy: 0.5302000705506555
Energy: 0.48549252867693843
Energy: 0.5413052428498581
Energy: 0.5302000705523103
Energy: 0.41260258906510283
Energy: 0.5413052428557089
Energy: 0.5302000705542607
Energy: 0.4854925286762883
Energy: 0.5413052428495035
Energy: 0.8303897018550944
Energy: 0.6908063807883128
Energy: 0.6820268183808836
Energy: 0.8303897018573402
Energy: 0.6683598954988675
Energy: 0.6820268183798789
Energy: 0.8303897018570445
Energy: 0.6908063807893174
Energy: 0.6820268183802335
Energy: 0.8303897018570445
Energy: 0.5409309787389901
Energy: 0.7102490454387383
Energy: 0.7827896738729456
Energy: 0.5409309787350896
Energy: 0.6798102381590168
Energy: 0.7827896738742459
Energy: 0.5409309787357397
Energy: 0.7102490454364926
Energy: 0.7827896738777917
Energy: 0.5409309787399356
Energy: 0.8272108072964438
Energy: 0.5786099331866058
Energy: 0.5668589302349428
Energy: 0.8272108072931933
Energy: 0.5821554764438861
Energy: 0.566858930235593
Energy: 0.8272108072961483
Energy: 0.5786099331846556
Energy: 0.5668589302349428
Energy: 0.8272108072951436
Energy: 0.5471430052989039
Energy: 0.7126222693692441
Energy: 0.5404555392969851
Energy: 0.468258334656865
Energy: 0.7498721491233116
Energy: 0.5404555392966897
Energy: 0.5471430052965991
Energy: 0.7126222693705443
Energy: 0.5404555392969851
Energy: 0.4682583346565695
Energy: 0.5226637468101245
Energy: 0.5335503448672528
Energy: 0.530178042951689
Energy: 0.4666763594673625
Energy: 0.4898524719710008
Energy: 0.530178042951689
Energy: 0.5226637468162709
Energy: 0.5335503448666027
Energy: 0.5301780429458383
Energy: 0.4666763594676579
Energy: 0.6939082240520068
Energy: 0.7350421854639395
Energy: 0.5304921831468361
Energy: 0.693908224056912
Energy: 0.7350421854629939
Energy: 0.5304921831468361
Energy: 0.6939082240578576
Energy: 0.7350421854619892
Energy: 0.5304921831477817
Energy: 0.6939082240565575
Energy: 0.4116545435241655
Energy: 0.5731727455079099
Energy: 0.5413229166048217
Energy: 0.5230832652732296
Energy: 0.573172745505664
Energy: 0.5413229166051172
Energy: 0.4116545435241655
Energy: 0.5731727455102147
Energy: 0.5413229166070673
Energy: 0.5230832652748252
Energy: 0.6927059701920697
Energy: 0.5290523287595832
Energy: 0.6860980616917055
Energy: 0.6927059701898238
Energy: 0.5290523287544416
Energy: 0.7324125098347387
Energy: 0.6927059701950247
Energy: 0.5290523287599378
Energy: 0.6860980616881005
Energy: 0.6927059701937244
Energy: 0.5227074105432181
Energy: 0.5768450721472141
Energy: 0.4578028505593499
Energy: 0.4667048156253777
Energy: 0.5768450721439636
Energy: 0.5019388998370372
Energy: 0.5227074105428636
Energy: 0.5768450721452639
Energy: 0.4578028505593499
Energy: 0.46670481562892363
Energy: 0.7731902898700596
Energy: 0.5408971143329396
Energy: 0.6810011279892936
Energy: 0.7731902898671638
Energy: 0.5408971143290391
Energy: 0.6810011279902983
Energy: 0.7731902898710643
Energy: 0.5408971143309893
Energy: 0.6810011279912438
Energy: 0.7731902898697641
Energy: 0.5413052428505082
Energy: 0.5302000705506555
Energy: 0.5824096906136644
Energy: 0.5413052428501536
Energy: 0.5302000705519556
Energy: 0.5787171678219212
Energy: 0.5413052428540541
Energy: 0.530200070554556
Energy: 0.5824096906146099
Energy: 0.5413052428488535
Energy: 0.8303897018550944
Energy: 0.6670868042584636
Energy: 0.7116834648631238
Energy: 0.8303897018553899
Energy: 0.7106015371633749
Energy: 0.6820268183785788
Energy: 0.83038970185604
Energy: 0.6670868042558632
Energy: 0.711683464861469
Energy: 0.8303897018573402
Energy: 0.5409309787383401
Energy: 0.6798102381590168
Energy: 0.782789673873241
Energy: 0.5409309787350896
Energy: 0.7102490454358426
Energy: 0.782789673873241
Energy: 0.5409309787363897
Energy: 0.6798102381600214
Energy: 0.782789673875546
Energy: 0.5409309787389901
Energy: 0.827210807298394
Energy: 0.41237706505008775
Energy: 0.5668589302339974
Energy: 0.827210807294198
Energy: 0.46997019720968813
Energy: 0.5668589302333473
Energy: 0.8272108072974486
Energy: 0.4123770650504423
Energy: 0.566858930235593
Energy: 0.8272108072964438
Energy: 0.5471430052972491
Energy: 0.7126222693695397
Energy: 0.54045553929929
Energy: 0.5471430052950034
Energy: 0.7126222693685941
Energy: 0.5404555392989354
Energy: 0.5471430052956535
Energy: 0.7126222693721399
Energy: 0.5404555392966897
Energy: 0.5471430052982539
Energy: 0.46667164875529676
Energy: 0.4900839779376417
Energy: 0.5301780429520436
Energy: 0.5785024945641903
Energy: 0.5790103796184135
Energy: 0.5301780429513936
Energy: 0.4666716487568925
Energy: 0.49008397794154224
Energy: 0.5301780429477886
Energy: 0.5785024945605853
Energy: 0.7301353730411755
Energy: 0.7350421854639395
Energy: 0.5304921831468361
Energy: 0.6939082240559074
Energy: 0.7350421854632895
Energy: 0.5304921831461861
Energy: 0.7301353730411755
Energy: 0.735042185460689
Energy: 0.5304921831458315
Energy: 0.693908224057562
Energy: 0.7993420123664918
Energy: 0.5731727455092099
Energy: 0.5413229166051172
Energy: 0.5232802074485317
Energy: 0.5731727455059595
Energy: 0.5413229166067719
Energy: 0.7993420123664918
Energy: 0.5731727455095645
Energy: 0.5413229166087222
Energy: 0.5232802074485317
Energy: 0.7230294636543534
Energy: 0.5290523287595832
Energy: 0.6566433219811458
Energy: 0.7230294636482072
Energy: 0.5290523287560372
Energy: 0.7837915590105089
Energy: 0.7230294636456068
Energy: 0.5290523287615335
Energy: 0.6566433219804957
Energy: 0.723029463647557
Energy: 0.4667020499530014
Energy: 0.576845072146564
Energy: 0.5475399725972555
Energy: 0.5785560239193221
Energy: 0.5768450721462686
Energy: 0.4578368787189417
Energy: 0.4667020499523513
Energy: 0.5768450721446139
Energy: 0.547539972600506
Energy: 0.5785560239167218
Energy: 0.7731902898730145
Energy: 0.5408971143322895
Energy: 0.681001127987698
Energy: 0.7731902898678139
Energy: 0.5408971143300438
Energy: 0.6810011279896482
Energy: 0.7731902898710643
Energy: 0.5408971143316393
Energy: 0.6810011279931941
Energy: 0.7731902898713598
Energy: 0.5413052428498581
Energy: 0.5302000705506555
Energy: 0.4854925286785341
Energy: 0.5413052428482034
Energy: 0.5302000705523103
Energy: 0.4126025890638027
Energy: 0.5413052428547043
Energy: 0.5302000705532559
Energy: 0.4854925286759338
Energy: 0.5413052428508037
Energy: 0.8303897018544443
Energy: 0.6908063807893174
Energy: 0.6820268183818291
Energy: 0.8303897018540898
Energy: 0.6683598955011134
Energy: 0.6820268183789334
Energy: 0.8303897018557445
Energy: 0.6908063807889628
Energy: 0.6820268183789334
Energy: 0.8303897018576948
Energy: 0.5409309787402903
Energy: 0.7102490454384429
Energy: 0.782789673875546
Energy: 0.5409309787350896
Energy: 0.6798102381613216
Energy: 0.7827896738758414
Energy: 0.5409309787357397
Energy: 0.7102490454335376
Energy: 0.7827896738768462
Energy: 0.5409309787386354
Energy: 0.827210807297094
Energy: 0.5786099331876106
Energy: 0.5668589302349428
Energy: 0.8272108072925433
Energy: 0.5821554764448316
Energy: 0.5668589302339974
Energy: 0.8272108072944936
Energy: 0.5786099331840056
Energy: 0.5668589302336426
Energy: 0.8272108072954982
Energy: 0.547143005299554
Energy: 0.7126222693701897
Energy: 0.5404555393002356
Energy: 0.46825833465816513
Energy: 0.7498721491220114
Energy: 0.5404555392979898
Energy: 0.5471430052950034
Energy: 0.7126222693714899
Energy: 0.540455539295685
Energy: 0.4682583346559195
Energy: 0.5226637468094744
Energy: 0.5335503448685529
Energy: 0.5301780429520436
Energy: 0.46667635947061287
Energy: 0.48985247197070525
Energy: 0.5301780429526938
Energy: 0.522663746814025
Energy: 0.5335503448685529
Energy: 0.5301780429477886
Energy: 0.4666763594673625
Energy: 0.6939082240523613
Energy: 0.7350421854665399
Energy: 0.5304921831484318
Energy: 0.6939082240530116
Energy: 0.735042185464294
Energy: 0.5304921831474861
Energy: 0.693908224056912
Energy: 0.7350421854619892
Energy: 0.5304921831448858
Energy: 0.6939082240588622

minimum gb energy = 0.4116545435241655 eV
minimum distance =  2.32804837395418 Angstroms
sigma value = 33


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

Energy: 0.9149557457709386
Energy: 0.986685019359314
Energy: 0.9876919448341358
Energy: 0.9149557457745074
Energy: 0.9866850193610985
Energy: 0.9876919448377046
Energy: 0.9149557457709386
Energy: 0.986685019359314
Energy: 0.9876919448323516
Energy: 0.9149557457745074
Energy: 1.013399616782415
Energy: 0.9153525626136151
Energy: 0.9777269017012787
Energy: 1.013399616782415
Energy: 0.9153525626153995
Energy: 0.9777269017012787
Energy: 1.013399616782415
Energy: 0.9153525626136151
Energy: 0.9777269017012787
Energy: 1.013399616782415
Energy: 0.9243824069486998
Energy: 0.8891419699194208
Energy: 0.867364675772116
Energy: 0.924382420876846
Energy: 0.8891419699140678
Energy: 0.8673499958074802
Energy: 0.9317564682357605
Energy: 0.8891419699122833
Energy: 0.8673494766933757
Energy: 0.9335512292086408
Energy: 1.0630013032396837
Energy: 0.9038312266586496
Energy: 0.9312957539142812
Energy: 1.0630013032378993
Energy: 0.9038312266604338
Energy: 0.9312957539160656
Energy: 1.0630013032396837
Energy: 0.9038312266586496
Energy: 0.9312957539160656
Energy: 1.0630013032378993
Energy: 0.9772107809139373
Energy: 0.9753914994789182
Energy: 0.8836285596332634
Energy: 0.977210780908584
Energy: 0.9753914994789182
Energy: 0.8836285596350478
Energy: 0.9772107809103685
Energy: 0.9753914994789182
Energy: 0.883628559631479
Energy: 0.9772107809103685
Energy: 0.9303840922817173
Energy: 1.0205604040929435
Energy: 0.999875368620031
Energy: 0.9303840922799328
Energy: 1.0205604040947278
Energy: 0.999875368620031
Energy: 0.9303840922835016
Energy: 1.0205604040929435
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Energy: 0.9303840922799328
Energy: 0.8881287171340726
Energy: 0.9891143636233548
Energy: 1.0506258029401465
Energy: 0.8881287171358571
Energy: 0.9891143636251392
Energy: 1.0506258029401465
Energy: 0.8881287171340726
Energy: 0.9891143636233548
Energy: 1.050625802938362
Energy: 0.8881287171358571
Energy: 0.9032219298649137
Energy: 0.884337271546549
Energy: 0.9369708281387183
Energy: 0.9032219298595605
Energy: 0.8843372715447646
Energy: 0.9369708281405029
Energy: 0.9032219298631292
Energy: 0.884337271546549
Energy: 0.9369708281387183
Energy: 0.9032219298595605
Energy: 0.9556477118866215
Energy: 0.8439601631997791
Energy: 0.9557818325213832
Energy: 0.9556477118830528
Energy: 0.8439601631962104
Energy: 0.9557817674644722
Energy: 0.9556477118848372
Energy: 0.8439601632033479
Energy: 0.9557817354773372
Energy: 0.9556477118848372
Energy: 0.99151633046321
Energy: 0.918286617454974
Energy: 1.0216973147162576
Energy: 0.9915163304667788
Energy: 0.918286617454974
Energy: 1.0216973147162576
Energy: 0.99151633046321
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Energy: 1.0216973147162576
Energy: 0.9915163304649945
Energy: 0.9836442684872444
Energy: 1.0010712802282076
Energy: 0.918802269812986
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Energy: 1.0010712802282076
Energy: 0.918802269812986
Energy: 0.9836442684872444
Energy: 1.0010712802299921
Energy: 0.918802269812986
Energy: 0.9836442684872444
Energy: 0.9095016861875342
Energy: 0.9698098979094872
Energy: 0.9374123220313079
Energy: 0.9095016861893187
Energy: 0.9698098979094872
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Energy: 0.9095016861875342
Energy: 0.9698098979094872
Energy: 0.9374123220313079
Energy: 0.9095016861893187
Energy: 0.888688055005411
Energy: 0.8640627201568419
Energy: 0.9222359712605773
Energy: 0.8886880550018424
Energy: 0.8640080016333738
Energy: 0.9222359712623617
Energy: 0.8886880550018424
Energy: 0.8640592280546695
Energy: 0.9222359712605773
Energy: 0.8886880550036268
Energy: 0.9048238046876864
Energy: 0.9385153701702174
Energy: 0.9434181456989761
Energy: 0.9048238046876864
Energy: 0.9385153701702174
Energy: 0.9434181456989761
Energy: 0.9048238046876864
Energy: 0.9385153701702174
Energy: 0.9434181456989761
Energy: 0.9048238046876864
Energy: 0.9874778890707793
Energy: 0.8922268125375563
Energy: 0.9862634913915701
Energy: 0.9874778890743481
Energy: 0.8922268125357719
Energy: 0.9862634913915701
Energy: 0.9874778890707793
Energy: 0.8922268125375563
Energy: 0.9862634913915701
Energy: 0.9874778890743481
Energy: 0.9755157436899408
Energy: 0.9469885763998367
Energy: 0.911082003310905
Energy: 0.9755157436881564
Energy: 0.9469885763962679
Energy: 0.911082003310905
Energy: 0.9755157436899408
Energy: 0.9469885763998367
Energy: 0.911082003310905
Energy: 0.9755157436881564
Energy: 0.9893548053433503
Energy: 1.0522072763751553
Energy: 0.8441840528122414
Energy: 0.9893548053451346
Energy: 1.0522072763715864
Energy: 0.8441840527997506
Energy: 0.9893548053451346
Energy: 1.052207276373371
Energy: 0.8441840527908286
Energy: 0.9893548053451346
Energy: 0.932263744700445
Energy: 0.9995385691907931
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Energy: 0.910803544685498
Energy: 0.8445330551291405
Energy: 0.9606133322279453
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Energy: 0.9606133322297297
Energy: 0.9239506272112243
Energy: 0.8445323576386743
Energy: 0.9606133322297297
Energy: 0.9239506272094399
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Energy: 0.9445366722628004
Energy: 0.9943061731926295
Energy: 1.0504332019204765
Energy: 0.9445366722663693
Energy: 0.9943061731908451
Energy: 1.0504332019186922
Energy: 0.9445366722663693
Energy: 0.9943061731926295
Energy: 1.0504332019186922
Energy: 0.9445366722645847
Energy: 0.993529415105626
Energy: 0.9827890108705737
Energy: 0.9422351481287325
Energy: 0.993529415105626
Energy: 0.9827890108670049
Energy: 0.9422351481251637
Energy: 0.9935294151038416
Energy: 0.9827890108705737
Energy: 0.9422351481287325
Energy: 0.993529415105626
Energy: 0.9871012756402587
Energy: 0.9552919456492683
Energy: 0.9421847052559137
Energy: 0.9871012756384744
Energy: 0.9552919456546214
Energy: 0.9421847052559137
Energy: 0.9871012756402587
Energy: 0.9552919456528371
Energy: 0.9421847052559137
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Energy: 0.8821207781792412
Energy: 0.9662292285119268
Energy: 0.9391253533283578
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Energy: 0.9391253533283578
Energy: 0.8821207781774567
Energy: 0.9662292285119268
Energy: 0.9391253533283578
Energy: 0.8821207781721037

minimum gb energy = 0.8437667875148713 eV
minimum distance =  2.23593204763261 Angstroms
sigma value = 219


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

Energy: 1.0565027938933196
Energy: 1.1751089367083003
Energy: 1.176515516873416
Energy: 1.0565027938921387
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Energy: 1.2718859609015596
Energy: 1.1140303342765783
Energy: 1.0788927099149437
Energy: 1.1141736766247414
Energy: 1.1075540346071737
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Energy: 1.114173676625922
Energy: 1.1075540346071737
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Energy: 1.1141736766247414
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Energy: 1.266575994414126
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Energy: 1.266575994412945
Energy: 1.2620599355424962
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Energy: 1.113839036259922
Energy: 1.1303881444110033
Energy: 1.056978801147442
Energy: 1.1364630716908521
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Energy: 1.0569788011498038
Energy: 1.136463071689671
Energy: 1.0790409451826728
Energy: 1.056978801147442
Energy: 1.1364630716908521
Energy: 1.0790409451838536
Energy: 1.056978801147442
Energy: 1.0560789306590859
Energy: 1.231741127239505
Energy: 1.3125346272632308
Energy: 1.0560789306579048
Energy: 1.2317411272383239
Energy: 1.31253462726205
Energy: 1.0560789306590859
Energy: 1.231741127239505
Energy: 1.3125346272632308
Energy: 1.0560789306590859
Energy: 1.1860973096343392
Energy: 1.1695446222620351
Energy: 1.258612289425622
Energy: 1.1860973096343392
Energy: 1.1695446222620351
Energy: 1.258612289426803
Energy: 1.1860973096343392
Energy: 1.1695446222620351
Energy: 1.2586122894244414
Energy: 1.1860973096343392

minimum gb energy = 1.0560789306579048 eV
minimum distance =  2.25337553913932 Angstroms
sigma value = 15


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

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Energy: 1.3079439191075466
Energy: 1.3082605045274742
Energy: 1.2590470342611497
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Energy: 1.222288833112738
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Energy: 1.2641079685033045
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Energy: 1.2566190425772064
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Energy: 1.2834269082455467
Energy: 1.2221064063452438
Energy: 1.2850533558762474
Energy: 1.283426908252041
Energy: 1.2221064063452438
Energy: 1.2850533558870978
Energy: 1.283426908247685
Energy: 1.2221064063452438
Energy: 1.2850533558806032
Energy: 1.2834269082499028
Energy: 1.2387696926340968
Energy: 1.298093421832713
Energy: 1.260988436334299
Energy: 1.2387696926319585
Energy: 1.2980934218348514
Energy: 1.2605370593446321
Energy: 1.2387696926319585
Energy: 1.2980934218304956
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minimum gb energy = 1.2213382513066877 eV
minimum distance =  2.18526818598763 Angstroms
sigma value = 293


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

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Energy: 1.217978567728858
Energy: 1.3072065636764947
Energy: 1.253004793044839
Energy: 1.239233420642139
Energy: 1.219378274649777
Energy: 1.2530047930421715
Energy: 1.239233420642139
Energy: 1.219378274649777
Energy: 1.253004793044839
Energy: 1.239233420642139
Energy: 1.2193782746524444
Energy: 1.253004793044839
Energy: 1.302176522550472
Energy: 1.3089314481602177
Energy: 1.2342479738270569
Energy: 1.302176522550472
Energy: 1.3089314481628853
Energy: 1.2342479738270569
Energy: 1.302176522550472
Energy: 1.3089314481602177
Energy: 1.2342479738270569
Energy: 1.302176522550472
Energy: 1.250351929535995
Energy: 1.2830240667246915
Energy: 1.2833110137150892
Energy: 1.250351929535995
Energy: 1.2830240667246915
Energy: 1.2833110137150892
Energy: 1.250351929535995
Energy: 1.283024066722024
Energy: 1.2833110137150892
Energy: 1.250351929535995
Energy: 1.3020985305134134
Energy: 1.2342475655755478
Energy: 1.3087076911058604
Energy: 1.302098530510746
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Energy: 1.302098530510746
Energy: 1.2342475655755478
Energy: 1.3087076911058604
Energy: 1.302098530510746
Energy: 1.2530025454324785
Energy: 1.219376019067879
Energy: 1.2391905373528265
Energy: 1.2530025454324785
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Energy: 1.2391905373554937
Energy: 1.2530025454324785
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Energy: 1.2391905373554937
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Energy: 1.5027644851023116
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Energy: 1.2796387878482627
Energy: 1.23164420788457
Energy: 1.2600848481146483
Energy: 1.2796387878482627
Energy: 1.2316442078872374
Energy: 1.2600848481173155
Energy: 1.2796387878509299
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Energy: 1.2600848481146483
Energy: 1.2796387878482627
Energy: 1.2175183126326132
Energy: 1.3489745266938888
Energy: 1.3187974981321624
Energy: 1.2175183126299458
Energy: 1.3489745266938888
Energy: 1.3187974981321624
Energy: 1.2175183126326132
Energy: 1.3489745266938888
Energy: 1.3187974981321624
Energy: 1.2175183126352322
Energy: 1.233358495252951
Energy: 1.311719230859781
Energy: 1.2446642620449175
Energy: 1.233358495252951
Energy: 1.311719230859781
Energy: 1.2446642620449175
Energy: 1.2333584952556185
Energy: 1.311719230859781
Energy: 1.2446642620475852
Energy: 1.233358495252951
Energy: 1.3723804340945087
Energy: 1.2606112780976193
Energy: 1.2606123315937126
Energy: 1.3723804340945087
Energy: 1.2606112780949519
Energy: 1.26061233159638
Energy: 1.3723804340945087
Energy: 1.2606112780976193
Energy: 1.2606123315937126
Energy: 1.3723804340945087
Energy: 1.233358114285572
Energy: 1.2445844574779574
Energy: 1.3116615611046272
Energy: 1.2333581142882395
Energy: 1.244584457480625
Energy: 1.3116615611019595
Energy: 1.233358114285572
Energy: 1.2445844574779574
Energy: 1.3116615611019595
Energy: 1.233358114285572
Energy: 1.2173699470582071
Energy: 1.318962550839171
Energy: 1.3489806056063123
Energy: 1.2173699470582071
Energy: 1.318962550839171
Energy: 1.3489806056063123
Energy: 1.2173699470582071
Energy: 1.318962550839171
Energy: 1.3489806056063123
Energy: 1.2173699470555395
Energy: 1.2796698293799955
Energy: 1.2601344361450606
Energy: 1.2316445106363925
Energy: 1.2796698293799955
Energy: 1.2601344361450606
Energy: 1.2316445106363925
Energy: 1.279669829377328
Energy: 1.2601344361450606
Energy: 1.2316445106363925
Energy: 1.2796698293799955
Energy: 1.3072065636738273
Energy: 1.5027973329915583
Energy: 1.217978567728858
Energy: 1.3072065636764947
Energy: 1.5027973329915583
Energy: 1.2179785677315254
Energy: 1.3072065636738273
Energy: 1.5027973329915583
Energy: 1.217978567728858
Energy: 1.3072065636764947

minimum gb energy = 1.217369947052872 eV
minimum distance =  2.19642994458908 Angstroms
sigma value = 293


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

Energy: 1.264384371846184
Energy: 1.2666563936006392
Energy: 1.2666912247513127
Energy: 1.264384371846184
Energy: 1.2666563936020856
Energy: 1.2666912247508306
Energy: 1.264384371846184
Energy: 1.2666563935987107
Energy: 1.2666912247493842
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Energy: 1.2650562666053213
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Energy: 1.2663744518441185
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Energy: 1.264233876881116
Energy: 1.2643962308927914
Energy: 1.2166554112875603
Energy: 1.2642338768791876
Energy: 1.2643962308937555
Energy: 1.216657213631344
Energy: 1.2642338768777412
Energy: 1.264396230895202
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Energy: 1.2162772540967266
Energy: 1.2644034457842221
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Energy: 1.2666912247484199
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Energy: 1.2650562666058036
Energy: 1.2663744518412259
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Energy: 1.2663744518407438
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Energy: 1.2650562666058036
Energy: 1.26637445184219
Energy: 1.264135113552334
Energy: 1.2650562666053213
Energy: 1.2643962308966483
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Energy: 1.2644034457832583
Energy: 1.265060038644267
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Energy: 1.266691224748902
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Energy: 1.2663744518446007
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Energy: 1.266374451838333
Energy: 1.264135113551852
Energy: 1.2650562666053213
Energy: 1.2663744518388151
Energy: 1.2166564058259788
Energy: 1.264233876881598
Energy: 1.2643962308927914
Energy: 1.2166560786350453
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Energy: 1.2643962308947199
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Energy: 1.2162768049346917
Energy: 1.2644034457842221
Energy: 1.2642262523037453
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Energy: 1.2642262523061558
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Energy: 1.2642262523047094
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Energy: 1.2650600386452313
Energy: 1.264060668493731
Energy: 1.2664211712172828
Energy: 1.2650600386433026
Energy: 1.2640606684946951
Energy: 1.2664211712172828
Energy: 1.2650600386447493
Energy: 1.2640606684918025
Energy: 1.264384371846184
Energy: 1.2666563936011213
Energy: 1.2666912247503483
Energy: 1.2643843718471481
Energy: 1.2666563935987107
Energy: 1.2666912247498663
Energy: 1.264384371846184
Energy: 1.266656393595818
Energy: 1.2666912247513127
Energy: 1.264384371846666
Energy: 1.264135113552334
Energy: 1.2650562666053213
Energy: 1.26637445184219
Energy: 1.264135113551852
Energy: 1.2650562666048393
Energy: 1.266374451841708
Energy: 1.2641351135537804
Energy: 1.2650562666053213
Energy: 1.2663744518441185
Energy: 1.2641351135552268
Energy: 1.2642338768777412
Energy: 1.264396230891827
Energy: 1.2166562240434786
Energy: 1.264233876880634
Energy: 1.2643962308947199
Energy: 1.2166555685932403
Energy: 1.2642338768791876
Energy: 1.264396230895202
Energy: 1.2166574220881101
Energy: 1.2642338768791876
Energy: 1.2162768279021785
Energy: 1.26440344578374
Energy: 1.2642262523047094
Energy: 1.2162766716533426
Energy: 1.264403445782776
Energy: 1.2642262523003704
Energy: 1.2162769326062137
Energy: 1.2644034457818119
Energy: 1.2642262523056738
Energy: 1.216276945544833
Energy: 1.2664211712168008
Energy: 1.265060038644267
Energy: 1.2640606684927667
Energy: 1.2664211712168008
Energy: 1.265060038644267
Energy: 1.2640606684913205
Energy: 1.2664211712163185
Energy: 1.265060038643785
Energy: 1.2640606684889097
Energy: 1.2664211712177649
Energy: 1.2666563936011213
Energy: 1.2666912247508306
Energy: 1.264384371846666
Energy: 1.2666563936011213
Energy: 1.2666912247503483
Energy: 1.264384371846666
Energy: 1.2666563936006392
Energy: 1.2666912247484199
Energy: 1.2643843718457017
Energy: 1.2666563935991928
Energy: 1.2650562666053213
Energy: 1.26637445184219
Energy: 1.2641351135532983
Energy: 1.2650562666053213
Energy: 1.26637445184219
Energy: 1.2641351135542627
Energy: 1.2650562666058036
Energy: 1.266374451841708
Energy: 1.2641351135547447
Energy: 1.2650562666053213

minimum gb energy = 1.2162766716533426 eV
minimum distance =  2.26508040955952 Angstroms
sigma value = 15


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

Energy: 1.2609146198285281
Energy: 1.31252702085893
Energy: 1.312755082432824
Energy: 1.2191758971093725
Energy: 1.31252702085893
Energy: 1.3127550824350096
Energy: 1.2609146198219718
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Energy: 1.2191758971093725
Energy: 1.3072711968709645
Energy: 1.2392311233859021
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Energy: 1.3072711968753354
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Energy: 1.2896315248215187
Energy: 1.2502336629231878
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Energy: 1.20250770692468
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Energy: 1.2581592917366005
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Energy: 1.2581592917409714
Energy: 1.2433129089223651
Energy: 1.2187583938524071
Energy: 1.4072941736815399
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Energy: 1.2187583938545927
Energy: 1.407294173683725
Energy: 1.2433129089267358
Energy: 1.2187583938524071
Energy: 1.4072941736772087
Energy: 1.2433129089201798
Energy: 1.3388543891360052
Energy: 1.1966082200846981
Energy: 1.279640993004001
Energy: 1.3369444302837776
Energy: 1.1963464183708186
Energy: 1.2796409930061863
Energy: 1.3388543891338198
Energy: 1.1966082200803274
Energy: 1.2796409930083719
Energy: 1.3369444302903337
Energy: 1.221115084268115
Energy: 1.2086999005712176
Energy: 1.2950635720017691
Energy: 1.2211150842703005
Energy: 1.2086999005712176
Energy: 1.2950635720083254
Energy: 1.2211150842703005
Energy: 1.2086999005755485
Energy: 1.2950635720039543
Energy: 1.221115084268115
Energy: 1.3065816195966735
Energy: 1.2597570530149442
Energy: 1.2148824030840872
Energy: 1.3065816195988589
Energy: 1.2597570530149442
Energy: 1.2145387786662252
Energy: 1.3065816196010442
Energy: 1.2597570530215005
Energy: 1.2148824030819019
Energy: 1.3065816196010442
Energy: 1.1964363572050467
Energy: 1.2204072718927301
Energy: 1.362118547028065
Energy: 1.1964363572072318
Energy: 1.2204072718883592
Energy: 1.362118547028065
Energy: 1.1964363572094177
Energy: 1.2204072718905448
Energy: 1.3621185470302504
Energy: 1.1964363572072318
Energy: 1.2601719296557963
Energy: 1.364452163436715
Energy: 1.2864641761776772
Energy: 1.218557994190527
Energy: 1.3644521634345295
Energy: 1.2864641761842333
Energy: 1.2601719296601672
Energy: 1.364452163436715
Energy: 1.2864641761798623
Energy: 1.2185579941883415
Energy: 1.2601815863809975
Energy: 1.2030467974110124
Energy: 1.3371042409805804
Energy: 1.218361048660265
Energy: 1.2030467974175685
Energy: 1.352766699627846
Energy: 1.2601815863788122
Energy: 1.2030467974175685
Energy: 1.3371042409783949
Energy: 1.2183610486580794
Energy: 1.1961414199984666
Energy: 1.221212202757396
Energy: 1.2215547848213952
Energy: 1.1961414200028375
Energy: 1.221212202746469
Energy: 1.2215547848213952
Energy: 1.1961414199984666
Energy: 1.2212122027442835
Energy: 1.2215547848235806
Energy: 1.1961414199984666
Energy: 1.2786370238268627
Energy: 1.2200142866147579
Energy: 1.1972125090277141
Energy: 1.2786370238290086
Energy: 1.2200142866169434
Energy: 1.1972125090277141
Energy: 1.2786370238268627
Energy: 1.2200142866169434
Energy: 1.1972125090298997
Energy: 1.278637023822492
Energy: 1.2217629489975874
Energy: 1.3642137767227747
Energy: 1.2066710501465765
Energy: 1.2217629489975874
Energy: 1.3642137767205893
Energy: 1.20688663053386
Energy: 1.2217629489975874
Energy: 1.364213776718404
Energy: 1.2066710501443911
Energy: 1.2217629489932165
Energy: 1.4242126405800712
Energy: 1.2877872884403083
Energy: 1.1983875836770042
Energy: 1.4242126405822169
Energy: 1.2877872884403083
Energy: 1.1983875836682627
Energy: 1.4242126405800712
Energy: 1.287787288438123
Energy: 1.1983875836704478
Energy: 1.4242126405822169
Energy: 1.2090388959408407
Energy: 1.3673817277452278
Energy: 1.21848712154671
Energy: 1.2090388959386948
Energy: 1.3673817277430427
Energy: 1.2184871215445243
Energy: 1.2090388959386948
Energy: 1.3673817277474134
Energy: 1.2184871215445243
Energy: 1.2090388959386948
Energy: 1.1979747306488597
Energy: 1.290478109140183
Energy: 1.1974229679143507
Energy: 1.1979747306466741
Energy: 1.2904781091379975
Energy: 1.1974229679121655
Energy: 1.1979747306423034
Energy: 1.290478109131441
Energy: 1.1974229679121655
Energy: 1.1979747306444888
Energy: 1.2380272593270583
Energy: 1.3075338260719784
Energy: 1.237475958779428
Energy: 1.2380272593292434
Energy: 1.307533826067608
Energy: 1.2374759587772426
Energy: 1.2380272593270583
Energy: 1.3075338260719784
Energy: 1.2374759587728716
Energy: 1.2380272593270583
Energy: 1.3657391842573123
Energy: 1.2446538314924973
Energy: 1.2437231865387988
Energy: 1.3657391842594977
Energy: 1.2233333645054514
Energy: 1.223274784195234
Energy: 1.3657391842594977
Energy: 1.244653831490312
Energy: 1.2437231865344278
Energy: 1.3657391842594977
Energy: 1.1957984724679602
Energy: 1.1907301307538911
Energy: 1.2837074802388226
Energy: 1.1957984724701456
Energy: 1.190730130751706
Energy: 1.2837074802388226
Energy: 1.1957984724723312
Energy: 1.1907301307451497
Energy: 1.2837074802388226
Energy: 1.1957984724679602
Energy: 1.2514936485037702
Energy: 1.2266927500927371
Energy: 1.252063903404192
Energy: 1.2514936485081014
Energy: 1.2266927500949227
Energy: 1.2520639034063772
Energy: 1.2514936484993993
Energy: 1.2266927500905518
Energy: 1.252063903404192
Energy: 1.2514936485015848
Energy: 1.2943693148698825
Energy: 1.1995567696646972
Energy: 1.2410568603574563
Energy: 1.2943693148676971
Energy: 1.1995626124210803
Energy: 1.2410568603618273
Energy: 1.2943693148698825
Energy: 1.1995567696625118
Energy: 1.2410568603574563
Energy: 1.2943693148698825
Energy: 1.2230322990664568
Energy: 1.2290765183911068
Energy: 1.3652392219722795
Energy: 1.2230322990642712
Energy: 1.2290765183889214
Energy: 1.365239221970094
Energy: 1.2230322990620859
Energy: 1.2290765183889214
Energy: 1.365239221965723
Energy: 1.2230322990664568
Energy: 1.3047662412606789
Energy: 1.2544542652302897
Energy: 1.2119556825137783
Energy: 1.3047662412606789
Energy: 1.2544542652324753
Energy: 1.2119326573665943
Energy: 1.3047662412628644
Energy: 1.2544542652302897
Energy: 1.2119556825137783
Energy: 1.3047662412606789
Energy: 1.1978975229414834
Energy: 1.2636400172514766
Energy: 1.196916255763391
Energy: 1.197897522939298
Energy: 1.2636400172514766
Energy: 1.196916255763391
Energy: 1.1978975229414834
Energy: 1.2636400172471058
Energy: 1.196916255763391
Energy: 1.197897522943669
Energy: 1.2187715983788587
Energy: 1.363341346297091
Energy: 1.2033822548062263
Energy: 1.2187715983832295
Energy: 1.3633413463014619
Energy: 1.2033822548084114
Energy: 1.2187715983810439
Energy: 1.3633413463036472
Energy: 1.2033822548084114
Energy: 1.2187715983810439

minimum gb energy = 1.1872746721856353 eV
minimum distance =  2.21111456563209 Angstroms
sigma value = 437


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

Energy: 1.152482546972707
Energy: 1.3101390118936411
Energy: 1.3102676439208427
Energy: 1.1524825469711146
Energy: 1.3101390118936411
Energy: 1.3102676439200462
Energy: 1.1524825469719109
Energy: 1.3101390118936411
Energy: 1.3102676439200462
Energy: 1.1524825469711146
Energy: 1.2896046419788354
Energy: 1.132390331284627
Energy: 1.1577932235131165
Energy: 1.2896046419780391
Energy: 1.132390331286147
Energy: 1.157793223510728
Energy: 1.2896046419780391
Energy: 1.132390331285423
Energy: 1.1577932235131165
Energy: 1.2896046419796316
Energy: 1.265958481758551
Energy: 1.1200562570688326
Energy: 1.2887514184617228
Energy: 1.2659584817561624
Energy: 1.1200562570696286
Energy: 1.2887435497710904
Energy: 1.2659584817577547
Energy: 1.1200562570688326
Energy: 1.2887339694451274
Energy: 1.2659584817569585
Energy: 1.2692621687901748
Energy: 1.2905527569985367
Energy: 1.189435071972399
Energy: 1.269262168790971
Energy: 1.2905527570001292
Energy: 1.189435071969214
Energy: 1.269262168790971
Energy: 1.2905527569961481
Energy: 1.189435071972399
Energy: 1.269262168790971
Energy: 1.189666271442866
Energy: 1.147823056601306
Energy: 1.2552510059075312
Energy: 1.1896662714444584
Energy: 1.1478230566028982
Energy: 1.2552510059075312
Energy: 1.1896662714420698
Energy: 1.147823056601306
Energy: 1.2552510059059387
Energy: 1.1896662714444584
Energy: 1.1904292898972104
Energy: 1.3063196144360723
Energy: 1.1327405908524473
Energy: 1.1904292898980067
Energy: 1.306319614435276
Energy: 1.132740590851651
Energy: 1.1904292898972104
Energy: 1.306319614435276
Energy: 1.1327405908524473
Energy: 1.190429289898803
Energy: 1.1837836816705132
Energy: 1.1727833886205894
Energy: 1.1196954525510554
Energy: 1.183783681668921
Energy: 1.1727833886213856
Energy: 1.119695452548667
Energy: 1.183783681669717
Energy: 1.1727833886205894
Energy: 1.1196954525502594
Energy: 1.1837836816673284
Energy: 1.1657708849683612
Energy: 1.3333600602503433
Energy: 1.252075852393618
Energy: 1.1657708849667687
Energy: 1.3333600602503433
Energy: 1.2520758523944144
Energy: 1.1657708849683612
Energy: 1.3333600602503433
Energy: 1.2520758523928222
Energy: 1.1657708849667687
Energy: 1.3322789656419667
Energy: 1.152766772676427
Energy: 1.1532705659646345
Energy: 1.3322789656411707
Energy: 1.152766772676427
Energy: 1.1532705659622462
Energy: 1.3322789656419667
Energy: 1.1527667726756308
Energy: 1.1532705659646345
Energy: 1.3322789656419667
Energy: 1.2550093360585632
Energy: 1.2059866824284018
Energy: 1.415551429645962
Energy: 1.255009336057767
Energy: 1.2059866824315866
Energy: 1.4155514296467582
Energy: 1.2550093360593595
Energy: 1.205986682406905
Energy: 1.4155514296467582
Energy: 1.255009336057767
Energy: 1.2419874573623781
Energy: 1.1294860736695247
Energy: 1.183381394538017
Energy: 1.2419874573639702
Energy: 1.1294860736719137
Energy: 1.1833813945372205
Energy: 1.2419874573631742
Energy: 1.1294860736695247
Energy: 1.1756542226896372
Energy: 1.2419874573639702
Energy: 1.2121681891083536
Energy: 1.134150124729104
Energy: 1.2807429194727569
Energy: 1.212168189109946
Energy: 1.134150124729104
Energy: 1.280742919474349
Energy: 1.212168189109946
Energy: 1.134150124728308
Energy: 1.280742919473553
Energy: 1.2121681891083536
Energy: 1.1530308788877521
Energy: 1.4453177644692063
Energy: 1.153300099173913
Energy: 1.1530308788861596
Energy: 1.4453177644692063
Energy: 1.153300099173913
Energy: 1.1530308788877521
Energy: 1.4453177644692063
Energy: 1.153300099173117
Energy: 1.1530308788861596
Energy: 1.1526137752178789
Energy: 1.143936329821639
Energy: 1.2532088378106674
Energy: 1.1526137752154904
Energy: 1.1439363298224354
Energy: 1.2532088378082789
Energy: 1.1526137752178789
Energy: 1.143936329821639
Energy: 1.253208837805094
Energy: 1.1526137752154904

minimum gb energy = 1.119695452548667 eV
minimum distance =  2.22219374430202 Angstroms
sigma value = 33