Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657310605049
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01495157596751457
Energy: 0.015484151186254689
Energy: 0.01524929439771789
Energy: 1.5223786651484563
Energy: 0.015249293927298301
Energy: 0.0154841511860191
Energy: 0.01495157596751457
Energy: 0.015484151185809685
Energy: 0.01524929423997773
Energy: 1.5223786651482205
Energy: 0.6966796950885777
Energy: 0.015660892897321848
Energy: 0.017107451986114686
Energy: 0.6923538450314926
Energy: 0.017107451985879096
Energy: 0.01565764146403078
Energy: 0.6966796950885777
Energy: 0.01565885761701165
Energy: 0.017107451985879096
Energy: 0.6923538450314926
Energy: 0.01495157596751457
Energy: 0.015484151186254689
Energy: 0.015249293955385788
Energy: 1.5223786651486917
Energy: 0.015249293687389809
Energy: 0.015484151186254689
Energy: 0.014951575967278983
Energy: 0.0154841511860191
Energy: 0.015249293881934264
Energy: 1.5223786651484563
Energy: 0.6966796950885777
Energy: 0.015653473680971284
Energy: 0.017107451985879096
Energy: 0.6923538450314926
Energy: 0.017107451985879096
Energy: 0.015660610564683014
Energy: 0.6966796950888133
Energy: 0.01565291657025894
Energy: 0.017107451985407918
Energy: 0.692353845031257
Energy: 0.01495157596751457
Energy: 0.0154841511860191
Energy: 0.015249294039674425
Energy: 1.5223786651486917
Energy: 0.015249293781102019
Energy: 0.0154841511860191
Energy: 0.014951575967278983
Energy: 0.015484151186254689
Energy: 0.015249293871803921
Energy: 1.5223786651484563
Energy: 0.6966796950881327
Energy: 0.01552350395419874
Energy: 0.017107451986114686
Energy: 0.6923538450314926
Energy: 0.017107451986114686
Energy: 0.015524035130056945
Energy: 0.6966796950883682
Energy: 0.015520453415568
Energy: 0.017107451985879096
Energy: 0.6923538450314926
Energy: 0.01495157596751457
Energy: 0.0154841511860191
Energy: 0.01524929476887583
Energy: 1.5223786651486917
Energy: 0.015249294230999157
Energy: 0.0154841511860191
Energy: 0.014951575967043393
Energy: 0.0154841511860191
Energy: 0.015249294121397753
Energy: 1.5223786651484563

minimum gb energy = 0.014951575967043393 eV
minimum distance =  2.33512026079714 Angstroms
sigma value = 3


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

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Energy: 1.2305543985405765
Energy: 1.2751522854216801
Energy: 1.3532156769675256
Energy: 1.276708382675697
Energy: 1.2632699836530479
Energy: 1.4180196191393002
Energy: 1.230554398541705
Energy: 1.2751522854205517
Energy: 1.353215676965833
Energy: 1.3232020399804745
Energy: 1.2798599168875082
Energy: 1.3118338713624629
Energy: 1.299597920430481
Energy: 1.281616670137571
Energy: 1.2667211691072238
Energy: 1.323202039981603
Energy: 1.2798599168880727
Energy: 1.3118338713613342
Energy: 1.2995979204287886
Energy: 1.315060441629535
Energy: 1.2060300599954101
Energy: 1.2363229403230565
Energy: 1.223913762423806
Energy: 1.239689353197097
Energy: 1.2053879416449174
Energy: 1.3150604416306637
Energy: 1.2060300599942815
Energy: 1.236322940321364
Energy: 1.22391376242437
Energy: 1.255508053598112
Energy: 1.1960477715971516
Energy: 1.2043882544956908
Energy: 1.249754086574849
Energy: 1.2392554498281552
Energy: 1.2259780572823917
Energy: 1.255508053597548
Energy: 1.1960477715960232
Energy: 1.2043882544979474
Energy: 1.2497540865737207
Energy: 1.2601496710644935
Energy: 1.2225001891099376
Energy: 1.2466836773546979
Energy: 1.2132687605537487
Energy: 1.1986565735503483
Energy: 1.2268086489669343
Energy: 1.2601496710644935
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Energy: 1.2466836773569552
Energy: 1.2132687605537487
Energy: 1.231657041362462
Energy: 1.24020984544402
Energy: 1.2228447437713306
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Energy: 1.2383298800411047
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Energy: 1.204688037555438
Energy: 1.3304316455639642
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Energy: 1.2106051059184013
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Energy: 1.2664244057156897
Energy: 1.2896971561484236
Energy: 1.3135216986790388
Energy: 1.2800213990135767
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Energy: 1.2680667386553923
Energy: 1.3294647783040558
Energy: 1.289697156148988
Energy: 1.3135216986779616
Energy: 1.280021399014141
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Energy: 1.2794443966013949
Energy: 1.3123417036572145
Energy: 1.2546149735434824
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Energy: 1.296467250398002
Energy: 1.2794443966019589
Energy: 1.3123417036577787
Energy: 1.2546149735440466
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Energy: 1.2588903077696616
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Energy: 1.2074681312834854
Energy: 1.2525374469163384
Energy: 1.2113602372324124
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Energy: 1.237116155761054
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Energy: 1.2525374469157737
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Energy: 1.23711615576049
Energy: 1.264308327923213
Energy: 1.2996102679199117
Energy: 1.2815236008436204
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Energy: 1.2670726413562898
Energy: 1.2127007629643707
Energy: 1.2643083279243414
Energy: 1.2996102679187833
Energy: 1.281523600842492
Energy: 1.2019142943585337
Energy: 1.2949585365121916
Energy: 1.25926755141923
Energy: 1.270237856160481
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Energy: 1.2702378561599166
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Energy: 1.3400679559901798
Energy: 1.2654626337888233
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Energy: 1.2277080272006318
Energy: 1.3067254396692551
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Energy: 1.3176391843325261
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Energy: 1.241317080890035
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Energy: 1.276458438651817
Energy: 1.2677773446246867
Energy: 1.3293482250450939
Energy: 1.267669279312636
Energy: 1.2413170808889062
Energy: 1.2459812746734307
Energy: 1.276458438651817
Energy: 1.2677773446263794
Energy: 1.2646730215068318
Energy: 1.2635797692927067
Energy: 1.266016883487793
Energy: 1.2374081235429104
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Energy: 1.2116762108214432
Energy: 1.264673021507396
Energy: 1.2635797692904496
Energy: 1.2660168834855363
Energy: 1.2374081235412175
Energy: 1.2587637497090802
Energy: 1.2226178017249065
Energy: 1.2210131624941534
Energy: 1.2317707310908388
Energy: 1.2806098954810357
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Energy: 1.2587637497079516
Energy: 1.2226178017243423
Energy: 1.221013162496975
Energy: 1.23177073109366
Energy: 1.212677324295183
Energy: 1.2569134164517568
Energy: 1.222954795073418
Energy: 1.2102946337384604
Energy: 1.2270644221416074
Energy: 1.1987877591686396
Energy: 1.2126773242985684
Energy: 1.2569134164523212
Energy: 1.2229547950745467
Energy: 1.2102946337378961
Energy: 1.2635091900207833
Energy: 1.2616408668117107
Energy: 1.1960013959723519
Energy: 1.224682736186805
Energy: 1.2257758336855709
Energy: 1.2013717111448754
Energy: 1.2635091900213475
Energy: 1.2616408668105819
Energy: 1.1960013959734803
Energy: 1.2246827361879333
Energy: 1.2858826571607043
Energy: 1.2290073584961148
Energy: 1.2054712018928073
Energy: 1.3151896793091578
Energy: 1.2052061550242763
Energy: 1.2758957491653269
Energy: 1.2858826571590116
Energy: 1.2290073584955505
Energy: 1.2054712018928073
Energy: 1.3151896793136717
Energy: 1.2991480717077915
Energy: 1.3177046073253966
Energy: 1.228022644218382
Energy: 1.3134657409114574
Energy: 1.2017501498362273
Energy: 1.2771511738423322
Energy: 1.2991480717083557
Energy: 1.317704607326525
Energy: 1.228022644218382
Energy: 1.3134657409108934
Energy: 1.3578185164555756
Energy: 1.2768378875798927
Energy: 1.2163009887730873
Energy: 1.3743932645518016
Energy: 1.2305543985174423
Energy: 1.2751522854194233
Energy: 1.3578185164533187
Energy: 1.2768378875804574
Energy: 1.2163009887730873
Energy: 1.3743932645523658
Energy: 1.2995979204299168
Energy: 1.2816166701381353
Energy: 1.2667211691072238
Energy: 1.3232020399804745
Energy: 1.2798599168886367
Energy: 1.3118338713624629
Energy: 1.2995979204299168
Energy: 1.2816166701386995
Energy: 1.2667211691083522
Energy: 1.3232020399804745
Energy: 1.2858826571595758
Energy: 1.2396893531959683
Energy: 1.2053879416454816
Energy: 1.3150604416284066
Energy: 1.2060300599942815
Energy: 1.236322940321364
Energy: 1.2858826571607043
Energy: 1.2396893531965327
Energy: 1.2053879416471742
Energy: 1.3150604416289708
Energy: 1.2497540865759775
Energy: 1.2392554498264623
Energy: 1.2259360223656568
Energy: 1.2555080535952907
Energy: 1.1960477715977156
Energy: 1.2043882544968192
Energy: 1.2497540865742849
Energy: 1.2392554498287192
Energy: 1.2259360223656568
Energy: 1.255508053597548

minimum gb energy = 1.1960013959723519 eV
minimum distance =  2.27167302250998 Angstroms
sigma value = 75


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

Energy: 1.5298433593936394
Energy: 1.315031263646742
Energy: 1.2696124329030067
Energy: 1.2825381574082924
Energy: 1.2585386342297542
Energy: 1.300653052595956
Energy: 1.529843359393364
Energy: 1.3150312636464665
Energy: 1.2696124329030067
Energy: 1.2825381574091181
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Energy: 1.2920065735575605
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Energy: 1.3647079870726373
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Energy: 1.3075310368615576
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Energy: 1.2404441303667801
Energy: 1.3061294429607053
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Energy: 1.2685060110465782
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Energy: 1.2685060110468536
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Energy: 1.1947630556827487
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Energy: 1.2896052666575548
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Energy: 1.2563954246446054
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minimum gb energy = 1.1834238918581637 eV
minimum distance =  2.22479633558945 Angstroms
sigma value = 105


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

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Energy: 1.2027336226313385
Energy: 1.3309235825855283
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Energy: 1.4352374806216945
Energy: 1.1251164366180466
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Energy: 1.079062538865704
Energy: 1.28095151324522
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Energy: 1.2628912899793352
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Energy: 1.1494910412052814
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Energy: 1.4276671849067555
Energy: 1.2652285668551224
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Energy: 1.2803956595200723
Energy: 1.2490151427650784
Energy: 1.1650739464745794
Energy: 1.450615596893321
Energy: 1.2294177938823743
Energy: 1.2956594800831476
Energy: 1.2500704772547837
Energy: 1.2490151427647678
Energy: 1.1650739464745794
Energy: 1.4506155968930103
Energy: 1.2294177938833062
Energy: 1.2652633560131343
Energy: 1.369801417437858
Energy: 1.267327334476007
Energy: 1.233354790674585
Energy: 1.310228319119078
Energy: 1.1108579412733453
Energy: 1.265263356013445
Energy: 1.369801417437548
Energy: 1.2673273344753857
Energy: 1.233354790674585
Energy: 1.1686933105521136
Energy: 1.2251672656906931
Energy: 1.457435279619401
Energy: 1.177790536369049
Energy: 1.2817858666609347
Energy: 1.2647300246966944
Energy: 1.168693310553356
Energy: 1.2251672656910038
Energy: 1.457435279619401
Energy: 1.177790536369981
Energy: 1.316867070635091
Energy: 1.1108071379236997
Energy: 1.3316393520320722
Energy: 1.1160656746895508
Energy: 1.311362858997525
Energy: 1.141999004304217
Energy: 1.316867070635091
Energy: 1.110807137922457
Energy: 1.33163935203114
Energy: 1.1160656746892401
Energy: 1.065788448478976
Energy: 1.1106559714599369
Energy: 1.1541851213201295
Energy: 1.2295418668450562
Energy: 1.4504979826445228
Energy: 1.0966858124550136
Energy: 1.0657884484786653
Energy: 1.1106559714602473
Energy: 1.1541851213210328
Energy: 1.2295418668450562
Energy: 1.249222423834738
Energy: 1.204162602724068
Energy: 1.1122518724757595
Energy: 1.1538732392682545
Energy: 1.2491701369067532
Energy: 1.249507040136259
Energy: 1.2492224238344272
Energy: 1.204162602724068
Energy: 1.1122518724763806
Energy: 1.1538732392679438
Energy: 1.2546850304395347
Energy: 1.3284703339914832
Energy: 1.218205169345089
Energy: 1.332056433106398
Energy: 1.1846752397306646
Energy: 1.3305411746350888
Energy: 1.2546850304379815
Energy: 1.3284703339917938
Energy: 1.2182051693460207
Energy: 1.3320564331076403

minimum gb energy = 1.0657884484786653 eV
minimum distance =  2.24180380594209 Angstroms
sigma value = 165


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

Energy: 1.2691681516057802
Energy: 1.3546492996774435
Energy: 1.197046323958507
Energy: 1.2156996936946443
Energy: 1.1959713985647669
Energy: 1.3548315685564463
Energy: 1.2691681516057802
Energy: 1.3546492996774435
Energy: 1.1970463239574405
Energy: 1.2156996937383642
Energy: 1.2102584103895675
Energy: 1.2173780544634318
Energy: 1.1958748937388406
Energy: 1.2130853241123774
Energy: 1.1852231863848566
Energy: 1.2156596051299307
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Energy: 1.217378054464498
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Energy: 1.213085324111311
Energy: 1.2148411045988592
Energy: 1.3736754460205631
Energy: 1.2784972205529646
Energy: 1.2245968037147723
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Energy: 1.2840718496362347
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Energy: 1.3736754460205631
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Energy: 1.2245968037147723
Energy: 1.2195371765085539
Energy: 1.2122078901720525
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Energy: 1.2161037870582896
Energy: 1.2148126387772056
Energy: 1.2225287568649588
Energy: 1.2158449013680854
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Energy: 1.2141461416813155
Energy: 1.1960772902972734
Energy: 1.2937942109400775
Energy: 1.2225287568649588
Energy: 1.215844901369152
Energy: 1.1849565890789846
Energy: 1.213511898054197
Energy: 1.221456329080374
Energy: 1.2014104145498636
Energy: 1.2010278800930425
Energy: 1.2087581894907156
Energy: 1.1963005493443601
Energy: 1.1862485328870593
Energy: 1.2214563290814402
Energy: 1.2014104145498636
Energy: 1.2010278800930425
Energy: 1.2087581894907156
Energy: 1.1991239623841898
Energy: 1.2756368453602653
Energy: 1.2553978414786993
Energy: 1.3735270914818667
Energy: 1.214504330650698
Energy: 1.2156716682719289
Energy: 1.1991239623841898
Energy: 1.2756368453602653
Energy: 1.2553978414786993
Energy: 1.3735270914818667
Energy: 1.2150630528158175
Energy: 1.2090791121588111
Energy: 1.2122318528158709
Energy: 1.2137971872027877
Energy: 1.185071762585978
Energy: 1.2152808504270929
Energy: 1.2150630528158175
Energy: 1.2090791121588111
Energy: 1.2122318528158709
Energy: 1.2137971872027877
Energy: 1.2243342296817488
Energy: 1.2784972205529646
Energy: 1.373673355029918
Energy: 1.2148495418371554
Energy: 1.2840718496373011
Energy: 1.2145778825856497
Energy: 1.2243342296817488
Energy: 1.2784972205529646
Energy: 1.373673355029918
Energy: 1.2148495418371554
Energy: 1.2132456974075365
Energy: 1.195968621875351
Energy: 1.2173546223911709
Energy: 1.2101862037194633
Energy: 1.2158964917777084
Energy: 1.1851285383250538
Energy: 1.2132456974075365
Energy: 1.195968621875351
Energy: 1.2173546223922371
Energy: 1.2101862037194633
Energy: 1.2577937504282137
Energy: 1.1959713985637004
Energy: 1.3548315685575127
Energy: 1.2691681516057802
Energy: 1.3546492996774435
Energy: 1.197046323958507
Energy: 1.2577937508428232
Energy: 1.1959713985637004
Energy: 1.3548315685564463
Energy: 1.2691681516047137

minimum gb energy = 1.1849489898154957 eV
minimum distance =  2.26595246485715 Angstroms
sigma value = 41


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

Energy: 1.2226500815744923
Energy: 1.375042292940453
Energy: 1.1391066530259566
Energy: 1.1237262010046645
Energy: 1.1373953248630884
Energy: 1.1582674629212988
Energy: 1.2226500815740782
Energy: 1.3750422929396258
Energy: 1.1391066530251293
Energy: 1.1237262012519607
Energy: 1.20863763253014
Energy: 1.2057568201520217
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Energy: 1.1518381883769524
Energy: 1.1410792280382143
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Energy: 1.145459081586669
Energy: 1.1452978440416282
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Energy: 1.1972082668183872
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Energy: 1.1401354770678525
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Energy: 1.1972082668179733
Energy: 1.1572975883016796
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Energy: 1.1401354770674386
Energy: 1.2316404005959412
Energy: 1.1513600760065126
Energy: 1.2716703797603253
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Energy: 1.1475989115110778
Energy: 1.136476547877755
Energy: 1.2316404005971826
Energy: 1.1513600760052711
Energy: 1.271670379759498
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Energy: 1.1823594361652794
Energy: 1.2093546305748502
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Energy: 1.1347955647961487
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Energy: 1.1463935637753269
Energy: 1.2116271197126007
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Energy: 1.1633782053599355
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Energy: 1.1357749153707082
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Energy: 1.37945822649021
Energy: 1.1373308246513858
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Energy: 1.3794582264889688
Energy: 1.1373308246522131
Energy: 1.3216896499505106
Energy: 1.1277624889046052
Energy: 1.319203249657491
Energy: 1.135559477768726
Energy: 1.1541649516281025
Energy: 1.1395750070840893
Energy: 1.1496673038534941
Energy: 1.1277624889050188
Energy: 1.3192032496579045
Energy: 1.1355594777691396
Energy: 1.1541649516281025
Energy: 1.1461453103666956
Energy: 1.1453661725692807
Energy: 1.1878051199998831
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Energy: 1.1550119411326316
Energy: 1.2375666506492002
Energy: 1.1461453103666956
Energy: 1.1453661725684532
Energy: 1.1878051199998831
Energy: 1.1820964369873455
Energy: 1.1978490819116674
Energy: 1.2366448272574333
Energy: 1.1829101189939846
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Energy: 1.1570658846890003
Energy: 1.1347181067672536
Energy: 1.19784908191084
Energy: 1.2366448272570196
Energy: 1.1829101189943982
Energy: 1.1409710479443878
Energy: 1.1514957843579463
Energy: 1.1446181461770186
Energy: 1.376172286980315
Energy: 1.1388847429052573
Energy: 1.3219401940989055
Energy: 1.1460457846643768
Energy: 1.1514957843567049
Energy: 1.1446181461389555
Energy: 1.376172286979074
Energy: 1.1388847429052573
Energy: 1.149587036646639
Energy: 1.2377966680969525
Energy: 1.2044980301185977
Energy: 1.134811288413381
Energy: 1.1530029775444726
Energy: 1.1403137632043987
Energy: 1.1495870366470526
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Energy: 1.2044980296889225
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Energy: 1.1815923242751598
Energy: 1.1453287566785808
Energy: 1.1454988706290543
Energy: 1.181592324275574
Energy: 1.144951472857917
Energy: 1.143540716649552
Energy: 1.1815923242743325
Energy: 1.1453287566794084
Energy: 1.1454988706290543
Energy: 1.1815923242751598
Energy: 1.1363831512096692
Energy: 1.1962341269016967
Energy: 1.2152955637603
Energy: 1.1548809905774082
Energy: 1.1401758340150023
Energy: 1.1710498745255087
Energy: 1.1363831512088416
Energy: 1.1962341269008694
Energy: 1.2152955637598866
Energy: 1.154880990579891
Energy: 1.1371926045753178
Energy: 1.1509521744113813
Energy: 1.153396196432951
Energy: 1.2715423475054932
Energy: 1.1363093011140155
Energy: 1.3053297033645428
Energy: 1.1371926045749041
Energy: 1.1509521744122089
Energy: 1.1533961964325374
Energy: 1.271542347505907
Energy: 1.1413796976731414
Energy: 1.1829101189939846
Energy: 1.2367198896993739
Energy: 1.205080585534121
Energy: 1.1344020982983456
Energy: 1.157342228422827
Energy: 1.1413796976723138
Energy: 1.182910118994812
Energy: 1.2367198896997875
Energy: 1.2050805854509992
Energy: 1.2772397561203412
Energy: 1.1878051199990558
Energy: 1.1455499083613465
Energy: 1.1452654099881054
Energy: 1.2375666506504417
Energy: 1.151532003269122
Energy: 1.277239756120755
Energy: 1.1878051199998831
Energy: 1.1455499083605192
Energy: 1.145265409988933
Energy: 1.1219048763532966
Energy: 1.1376690678692947
Energy: 1.1627675956451522
Energy: 1.1164193058906078
Energy: 1.1566273992680833
Energy: 1.139827425935433
Energy: 1.1219048763532966
Energy: 1.1376690678692947
Energy: 1.1627675956459795
Energy: 1.1164193058901943
Energy: 1.146677181236597
Energy: 1.136186118028402
Energy: 1.1571614989427703
Energy: 1.1567685206704839
Energy: 1.208987554142428
Energy: 1.2818395501941788
Energy: 1.1466771812370105
Energy: 1.1361861180288158
Energy: 1.1571614989431844
Energy: 1.1567685206704839
Energy: 1.1547588362781491
Energy: 1.1408012729407044
Energy: 1.2421927896267286
Energy: 1.2967631822633028
Energy: 1.1472769668611427
Energy: 1.1340065957284169
Energy: 1.1547588362777355
Energy: 1.1408012729407044
Energy: 1.2421927896279696
Energy: 1.2967631822616479

minimum gb energy = 1.1164193058901943 eV
minimum distance =  2.27218441097752 Angstroms
sigma value = 185


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

Energy: 1.3843575093362905
Energy: 1.1617368907250454
Energy: 1.378227100516254
Energy: 1.4560795240330509
Energy: 1.378226098480681
Energy: 1.1335881008637678
Energy: 1.3843575093362905
Energy: 1.1617368907240628
Energy: 1.378227100515272
Energy: 1.4138243576296903
Energy: 1.4193486113010472
Energy: 1.2893890295262884
Energy: 1.1258712660251933
Energy: 1.1620767891390493
Energy: 1.1616879279588457
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Energy: 1.1621237745085566
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Energy: 1.3788078713850378
Energy: 1.4570266286965206
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Energy: 1.1270963433362629
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Energy: 1.1269840625210135
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Energy: 1.1626050532167578
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Energy: 1.3780570225105242
Energy: 1.324684356556481
Energy: 1.162532734485951
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Energy: 1.162532734485951
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Energy: 1.1626728467115242
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Energy: 1.4192795775377052
Energy: 1.1626728467120155
Energy: 1.1258202864504745
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Energy: 1.1620225665701784
Energy: 1.4570232546756683
Energy: 1.3785541575412918
Energy: 1.4121717117530248
Energy: 1.1615803499749364
Energy: 1.1622290002456932
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Energy: 1.4121717117535157
Energy: 1.1615803499744453
Energy: 1.162229000245202
Energy: 1.1620874011698306
Energy: 1.1258204993859788
Energy: 1.2895206895003417
Energy: 1.419299342570636
Energy: 1.2870722931531977
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Energy: 1.1620874011693394
Energy: 1.1258204993854877
Energy: 1.2895206895008327
Energy: 1.4192993425711273
Energy: 1.3744507453810073
Energy: 1.3782260984821544
Energy: 1.158678407231231
Energy: 1.3843575093367817
Energy: 1.161736890723572
Energy: 1.378227100516254
Energy: 1.374450745382972
Energy: 1.378226098481172
Energy: 1.1586784072297578
Energy: 1.3843575093362905
Energy: 1.1620767891390493
Energy: 1.1616879279588457
Energy: 1.2870722931531977
Energy: 1.419348611301538
Energy: 1.2893890295267794
Energy: 1.1258712660251933
Energy: 1.162076789138558
Energy: 1.1616879279583547
Energy: 1.2870722931536887
Energy: 1.4193486113010472
Energy: 1.3788078713850378
Energy: 1.1617696011216534
Energy: 1.1621644927390204
Energy: 1.1621237745080653
Energy: 1.1615810734776966
Energy: 1.4121717117525336
Energy: 1.3788078713850378
Energy: 1.1617696011221446
Energy: 1.1621644927390204
Energy: 1.1621237745080653
Energy: 1.1270963433357717
Energy: 1.1330444511049897
Energy: 1.1272682792604096
Energy: 1.4570266286970117
Energy: 1.16215481436165
Energy: 1.1618552672830884
Energy: 1.1270963433352807
Energy: 1.1330444511044986
Energy: 1.1272682792604096
Energy: 1.4570266286965206
Energy: 1.4192399461268377
Energy: 1.3895568141545054
Energy: 1.1269840625200311
Energy: 1.1334248819223316
Energy: 1.125939983818808
Energy: 1.1626050532167578
Energy: 1.4192399461278198
Energy: 1.389556814154014
Energy: 1.1269840625200311
Energy: 1.1334248819213495
Energy: 1.162532734485951
Energy: 1.1621478455751986
Energy: 1.3783116018999637
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Energy: 1.3780570225115063
Energy: 1.3768193532436692
Energy: 1.162532734485951
Energy: 1.1621478455751986
Energy: 1.3783116018999637
Energy: 1.1868916951226876
Energy: 1.2811006684202368
Energy: 1.378370816789349
Energy: 1.1621258486475998
Energy: 1.1625327608643965
Energy: 1.3201046079205696
Energy: 1.3780567413587657
Energy: 1.3245373602645896
Energy: 1.37837081678984
Energy: 1.1621258486475998
Energy: 1.1625327608639053
Energy: 1.1333781239119725
Energy: 1.126583601822218
Energy: 1.3897234708958104
Energy: 1.4192795775377052
Energy: 1.1626728467120155
Energy: 1.1258202864509657
Energy: 1.1333781239119725
Energy: 1.126583601822709
Energy: 1.3897234708948283
Energy: 1.4192795775377052
Energy: 1.4570232546756683
Energy: 1.126793743992732
Energy: 1.1330660087501716
Energy: 1.1270996294224906
Energy: 1.1618628192951985
Energy: 1.1620225665696873
Energy: 1.4570232546751773
Energy: 1.126793743992732
Energy: 1.1330660087496804
Energy: 1.1270996294224906
Energy: 1.162229000245202
Energy: 1.1619758372253046
Energy: 1.1617944886628382
Energy: 1.378554157541783
Energy: 1.4121717117525336
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Energy: 1.162229000245202
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Energy: 1.378554157541783
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Energy: 1.2870722931531977
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Energy: 1.2870722931531977
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Energy: 1.1620874011698306
Energy: 1.3843575093367817
Energy: 1.161736890723572
Energy: 1.3782271005157631
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Energy: 1.1618148208512937
Energy: 1.3843575093367817
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Energy: 1.3782271005157631
Energy: 1.355991072138068
Energy: 1.419348611301538
Energy: 1.2893890295262884
Energy: 1.1258712660251933
Energy: 1.162076789138558
Energy: 1.161687927959337
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Energy: 1.2893890295267794
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Energy: 1.1620767891390493
Energy: 1.1621237745085566
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Energy: 1.3788078713850378
Energy: 1.4570266286965206
Energy: 1.16215481436165
Energy: 1.1618552672825975
Energy: 1.1270963433362629
Energy: 1.1330444511044986
Energy: 1.1272682792604096
Energy: 1.4570266286970117
Energy: 1.1621548143621414
Energy: 1.1618552672830884
Energy: 1.1270963433352807
Energy: 1.1334248819218404
Energy: 1.125939983819299
Energy: 1.1626050532162666
Energy: 1.4192399461273286
Energy: 1.389556814154014
Energy: 1.126984062520522
Energy: 1.1334248819213495
Energy: 1.125939983818808
Energy: 1.1626050532157752
Energy: 1.4192399461278198
Energy: 1.164021835764583
Energy: 1.378057022510033
Energy: 1.4176474286203156
Energy: 1.162532734485951
Energy: 1.1621478455756895
Energy: 1.3783116019004549
Energy: 1.164021835764092
Energy: 1.3780570225105242
Energy: 1.4176474286203156
Energy: 1.162532734485951
Energy: 1.1625327608639053
Energy: 1.3201046079210608
Energy: 1.3780567413587657
Energy: 1.2811006683622852
Energy: 1.378370816788858
Energy: 1.1621258486485824
Energy: 1.1625327608639053
Energy: 1.3201046079210608
Energy: 1.3780567413577833
Energy: 1.2811006683559003
Energy: 1.4192795775377052
Energy: 1.1626728467125067
Energy: 1.1258202864504745
Energy: 1.1333781239114813
Energy: 1.126583601822709
Energy: 1.3897234708943371
Energy: 1.4192795775377052
Energy: 1.1626728467120155
Energy: 1.1258202864504745
Energy: 1.1333781239119725
Energy: 1.1270996294219997
Energy: 1.1618628192947074
Energy: 1.1620225665701784
Energy: 1.4570232546746862
Energy: 1.1267937439932232
Energy: 1.1330660087491893
Energy: 1.1270996294224906
Energy: 1.1618628192951985
Energy: 1.1620225665696873
Energy: 1.4570232546756683
Energy: 1.3785541575412918
Energy: 1.4121717117530248
Energy: 1.1615803499749364
Energy: 1.1622290002456932
Energy: 1.1619758372253046
Energy: 1.1617944886628382
Energy: 1.3785541575412918
Energy: 1.4121717117530248
Energy: 1.1615803499749364
Energy: 1.1622290002456932
Energy: 1.1620874011693394
Energy: 1.1258204993854877
Energy: 1.2895206895003417
Energy: 1.419299342570636
Energy: 1.2870722931527065
Energy: 1.1615222611063305
Energy: 1.1620874011698306
Energy: 1.1258204993854877
Energy: 1.2895206895008327
Energy: 1.4192993425701448

minimum gb energy = 1.1258202864504745 eV
minimum distance =  2.22969579634444 Angstroms
sigma value = 33


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

Energy: 1.220470054440795
Energy: 1.243001267556488
Energy: 1.2099044538634354
Energy: 1.3701631707012516
Energy: 1.2060780220267602
Energy: 1.27765213174228
Energy: 1.220470054439986
Energy: 1.243001267558375
Energy: 1.209904453862896
Energy: 1.3805489925072947
Energy: 1.355752457279419
Energy: 1.2370337092885435
Energy: 1.1389172761681283
Energy: 1.2049752553577855
Energy: 1.2288730982456098
Energy: 1.2900916378319915
Energy: 1.3557524572780713
Energy: 1.237033709288274
Energy: 1.1389172761678585
Energy: 1.2049752553585942
Energy: 1.2392683955726291
Energy: 1.1991448368198072
Energy: 1.2090353622475793
Energy: 1.3374634634029434
Energy: 1.2271501529704447
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Energy: 1.2392683955723596
Energy: 1.1991448368205917
Energy: 1.2090353622470402
Energy: 1.3374634634015954
Energy: 1.1862481129522506
Energy: 1.1990913787286206
Energy: 1.1821753501188141
Energy: 1.1498038253023914
Energy: 1.2599533999074417
Energy: 1.3389743843708193
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Energy: 1.1498038253026615
Energy: 1.182327279710158
Energy: 1.1990356718507964
Energy: 1.1941318037987623
Energy: 1.338720158261517
Energy: 1.2533828459738816
Energy: 1.141315679494459
Energy: 1.1823272797104276
Energy: 1.199035671851605
Energy: 1.1941318037944486
Energy: 1.3387201582609776
Energy: 1.344813320589661
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Energy: 1.2583146046709441
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Energy: 1.2750349097205982
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Energy: 1.275034909721407
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Energy: 1.3663781007772797
Energy: 1.2909879954971912
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Energy: 1.3448011012623626
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Energy: 1.1679311362555203
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Energy: 1.1973430205761015
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Energy: 1.1990674397911303
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Energy: 1.15813162257065
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Energy: 1.1990203084039535
Energy: 1.2515609786606836
Energy: 1.1500717180926878
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Energy: 1.1990638686662634
Energy: 1.1980622260278846
Energy: 1.338208579611802
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Energy: 1.1990638686662634
Energy: 1.2274658173984736
Energy: 1.1449274264097198
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Energy: 1.199142524299169
Energy: 1.2779557426108825
Energy: 1.204786651599451
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Energy: 1.1449274264094502
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Energy: 1.1991425242980904
Energy: 1.2280419324833936
Energy: 1.1984633160935647
Energy: 1.1377461053277775
Energy: 1.293185905398846
Energy: 1.3447830663518379
Energy: 1.27715706698317
Energy: 1.2280419324836636
Energy: 1.1984633160935647
Energy: 1.1377461053283167
Energy: 1.293185905398846
Energy: 1.1765209000132137
Energy: 1.1982754464866083
Energy: 1.18900473755969
Energy: 1.239014669916564
Energy: 1.2191827750584634
Energy: 1.2910271982270993
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Energy: 1.1982754464847214
Energy: 1.1890047375591508
Energy: 1.2390146699168338
Energy: 1.138793822827329
Energy: 1.2201084633871835
Energy: 1.230547985351193
Energy: 1.2042617895703716
Energy: 1.1230129123036374
Energy: 1.170278452663835
Energy: 1.1387938228289467
Energy: 1.2201084633866444
Energy: 1.23054798535308
Energy: 1.2042617895690233
Energy: 1.2272830330199995
Energy: 1.3376199358884449
Energy: 1.2270361184280485
Energy: 1.19711747167201
Energy: 1.1795947586545223
Energy: 1.1998138218772145
Energy: 1.2272830330194604
Energy: 1.337619935888175
Energy: 1.2270361184288572
Energy: 1.1971174716725492
Energy: 1.1822526708170633
Energy: 1.1935730398746036
Energy: 1.2884421993659754
Energy: 1.204164789712886
Energy: 1.3445020027907761
Energy: 1.198942527418228
Energy: 1.182252670817872
Energy: 1.1935730398772997
Energy: 1.2884421993648971
Energy: 1.2041647897139647
Energy: 1.2332613567730144
Energy: 1.3379689801731491
Energy: 1.2534136339716058
Energy: 1.1498403852078105
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Energy: 1.2305061089435
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Energy: 1.1503574887362866
Energy: 1.1683597933450045
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Energy: 1.359319197867749
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Energy: 1.3252820348663064
Energy: 1.1979610932019564
Energy: 1.2098697897960975
Energy: 1.256690853676996
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Energy: 1.1987392415723628
Energy: 1.3450027147417483
Energy: 1.2472067718476076
Energy: 1.1955126777273688
Energy: 1.2890225901347332
Energy: 1.1377189647656907
Energy: 1.1987392415696665
Energy: 1.3450027147417483
Energy: 1.2472067718454505
Energy: 1.203955074713991
Energy: 1.2681777859619277
Energy: 1.1806618847420445
Energy: 1.1968709769446646
Energy: 1.2342243751217992
Energy: 1.1862947126092906
Energy: 1.203955074713721
Energy: 1.2681777859627366
Energy: 1.180661884742314
Energy: 1.1968709769465515
Energy: 1.3081927701899285
Energy: 1.2062939289558727
Energy: 1.1457669432369826
Energy: 1.196974345405654
Energy: 1.2349784379516804
Energy: 1.215641397336389
Energy: 1.308192770190198
Energy: 1.2062939289550638
Energy: 1.1457669432364437
Energy: 1.1969743454032276
Energy: 1.1827230439416612
Energy: 1.1499751384165982
Energy: 1.2888626056608945
Energy: 1.1504187872032092
Energy: 1.3598933908490831
Energy: 1.3297132271047152
Energy: 1.1827230439403131
Energy: 1.1499751384160593
Energy: 1.288862605661164
Energy: 1.1504187872037483

minimum gb energy = 1.1230129123036374 eV
minimum distance =  2.27384780586931 Angstroms
sigma value = 219


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

Energy: 1.1620968580138424
Energy: 1.1512873855209764
Energy: 1.1326870828895619
Energy: 1.1696712609591935
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Energy: 1.1329142899067544
Energy: 1.1672419618009706
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Energy: 1.1759622071736693
Energy: 1.2397827619926858
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Energy: 1.2485065622836233
Energy: 1.1329526481376258
Energy: 1.1340019398180183
Energy: 1.1338921659772174
Energy: 1.1200977867224617
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Energy: 1.1515452434709688
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Energy: 1.341273642145649
Energy: 1.1515332399382894
Energy: 1.1515452434709688
Energy: 1.341273642143865
Energy: 1.088613601072909
Energy: 1.1324542790895729
Energy: 1.0884029841019884
Energy: 1.1326801343875539
Energy: 1.2199251851518316
Energy: 1.1217314999609278
Energy: 1.088613601072909
Energy: 1.1324542790984946
Energy: 1.0884029841019884
Energy: 1.1326801343875539
Energy: 1.0887122461346157
Energy: 1.1201013357075098
Energy: 1.1338866258177211
Energy: 1.1340448024437577
Energy: 1.0895123781470533
Energy: 1.1722352580207303
Energy: 1.0887122461346157
Energy: 1.1201013357075098
Energy: 1.1338866258177211
Energy: 1.1340448024437577
Energy: 1.132890891809102
Energy: 1.1673289925088828
Energy: 1.1326703450499036
Energy: 1.2783153228391484
Energy: 1.175956530157358
Energy: 1.1516387985413794
Energy: 1.132890891809102
Energy: 1.1673289925088828
Energy: 1.132670345051688
Energy: 1.2783153228391484

minimum gb energy = 1.0884029841019884 eV
minimum distance =  2.24412441289925 Angstroms
sigma value = 15


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

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Energy: 1.2980665855199645
Energy: 1.3192790493605133
Energy: 1.4267835522756982
Energy: 1.3190705457941443
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Energy: 1.3131425913022778
Energy: 1.336423605877135
Energy: 1.3188719204724944
Energy: 1.3370658850877768
Energy: 1.3183928144899575
Energy: 1.362432800801021
Energy: 1.3131425913029358
Energy: 1.3364236058751604
Energy: 1.3188719204702208
Energy: 1.337065885093042
Energy: 1.3202816652581792
Energy: 1.337090666909184
Energy: 1.3188016061373684
Energy: 1.347459871140978
Energy: 1.3147421037816562
Energy: 1.3615868350197795
Energy: 1.3202816652584786
Energy: 1.337090666905235
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minimum gb energy = 1.2972885910849128 eV
minimum distance =  2.25773164111727 Angstroms
sigma value = 293


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

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Energy: 1.364433264897984
Energy: 1.3532285362355914
Energy: 1.3801728714763848
Energy: 1.389386785158649
Energy: 1.3589709989296355
Energy: 1.4968372882587397
Energy: 1.3589714347782385
Energy: 1.3700224358637887
Energy: 1.3801728714759818
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Energy: 1.3589709989292325
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Energy: 1.298341249628563
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Energy: 1.2983412496293691
Energy: 1.53494427751142
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Energy: 1.3532399900996743
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Energy: 1.2983658193205454
Energy: 1.3753262328849245
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Energy: 1.3864631745234453
Energy: 1.3103928026823697
Energy: 1.4114930690288872
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Energy: 1.2987751714401945
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Energy: 1.331297716795685
Energy: 1.4697566646830593
Energy: 1.3703582735946827
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Energy: 1.5511884919142345
Energy: 1.327201135286782
Energy: 1.331297716795685
Energy: 1.4697566646834626
Energy: 1.3703582735946827
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Energy: 1.3309956687853486
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Energy: 1.354480418908304
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Energy: 1.346677336784098
Energy: 1.3159295689585455
Energy: 1.3309956687857516
Energy: 1.332150791096109
Energy: 1.354480418908304
Energy: 1.4467819593128932
Energy: 1.3680731822735615
Energy: 1.3373538510358363
Energy: 1.3117812302501979
Energy: 1.44020276922375
Energy: 1.2976791497391456
Energy: 1.3883347248412887
Energy: 1.3680731822739642
Energy: 1.3373538510350305
Energy: 1.3117812302501979
Energy: 1.440202769223347
Energy: 1.3685335352195442
Energy: 1.3856016045002117
Energy: 1.385668165739103
Energy: 1.3686233122377798
Energy: 1.3158331897757254
Energy: 1.3158833337158615
Energy: 1.3685335352199473
Energy: 1.3856016044994057
Energy: 1.385668165739103
Energy: 1.368623312238183
Energy: 1.44013401945517
Energy: 1.3118058826800776
Energy: 1.337098119817602
Energy: 1.3680830753597275
Energy: 1.3884156528299874
Energy: 1.2974642447255396
Energy: 1.4401340194559762
Energy: 1.3118058826796744
Energy: 1.3370981198171992
Energy: 1.3680830753601305
Energy: 1.4467565151306678
Energy: 1.3544691869199383
Energy: 1.3321279914072433
Energy: 1.3308927232963514
Energy: 1.3158704757935975
Energy: 1.346577980854745
Energy: 1.4467565151310706
Energy: 1.3544691869199383
Energy: 1.3321279914068402
Energy: 1.3308927232971575
Energy: 1.3016147581762412
Energy: 1.3705061364162003
Energy: 1.4697566646830593
Energy: 1.331232554401673
Energy: 1.3272316136465037
Energy: 1.5511884919150405
Energy: 1.3016147581762412
Energy: 1.3705061364157973
Energy: 1.4697566646834626
Energy: 1.331232554401673
Energy: 1.317500789207997
Energy: 1.336710964693383
Energy: 1.2982968687794856
Energy: 1.4092458952612914
Energy: 1.3861880525626535
Energy: 1.314001729054302
Energy: 1.317500789207997
Energy: 1.3367109646937858
Energy: 1.2982968687798884
Energy: 1.4092458952612914

minimum gb energy = 1.2974642447251368 eV
minimum distance =  2.22296038740212 Angstroms
sigma value = 293


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

Energy: 1.117782792014697
Energy: 1.1687354174580347
Energy: 1.167954546398523
Energy: 1.5848892327358977
Energy: 1.168078142129548
Energy: 1.195261663321566
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Energy: 1.1687354174580347
Energy: 1.1679545463977947
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Energy: 1.2409862386824504
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Energy: 1.1154293169916005
Energy: 1.6297902004538822
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Energy: 1.2011462497770824
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Energy: 1.1154293169916005
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Energy: 1.1156877688536142
Energy: 1.6297965308610474
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Energy: 1.1177827920154255
Energy: 1.1687354174580347
Energy: 1.6812977613985978
Energy: 1.1690001695655832
Energy: 1.1680936121684846
Energy: 1.630446511486549
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Energy: 1.2302830985673223
Energy: 1.6812977613993263
Energy: 1.1690001695663115
Energy: 1.1680936121684846
Energy: 1.630446511485092
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Energy: 1.195082471873505
Energy: 1.1154293169916005
Energy: 1.6297902004538822
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Energy: 1.2010624737637485
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Energy: 1.2010624737637485
Energy: 1.1156541974453955
Energy: 1.6297965308603186
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Energy: 1.1680936121684846
Energy: 1.7263240905944617
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Energy: 1.1690001695663115
Energy: 1.6297902004538822
Energy: 1.1156877688536142
Energy: 1.2011462497756256
Energy: 1.1682679719374183
Energy: 1.195082471873505
Energy: 1.1154293169916005
Energy: 1.6297902004538822
Energy: 1.1156877688536142
Energy: 1.201146249776354
Energy: 1.1682679719381468
Energy: 1.1951154375092006
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Energy: 1.2010624737637485
Energy: 1.1156541974453955
Energy: 1.6297965308610474
Energy: 1.1155907627984734
Energy: 1.1951154375092006
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Energy: 1.2010624737637485
Energy: 1.1156541974453955
Energy: 1.1680999434195514
Energy: 1.1690079444856887
Energy: 1.681155527707331
Energy: 1.3783573197740988
Energy: 1.1679492078663105
Energy: 1.5184748349453283
Energy: 1.1680999434195514
Energy: 1.1690079444849604
Energy: 1.681155527707331
Energy: 1.3783573197740988
Energy: 1.1177827920154255
Energy: 1.1687354174580347
Energy: 1.1679545463977947
Energy: 1.5178373190340753
Energy: 1.1680781421288198
Energy: 1.168730773153296
Energy: 1.117782792014697
Energy: 1.1687354174580347
Energy: 1.167954546398523
Energy: 1.5178373190333467
Energy: 1.1680936121684846
Energy: 1.838705833598645
Energy: 1.1679403200053133
Energy: 1.51297937123812
Energy: 1.6812977613985978
Energy: 1.1690001695655832
Energy: 1.1680936121684846
Energy: 1.838705833598645
Energy: 1.1679403200060416
Energy: 1.5129793712388486
Energy: 1.1950824718727766
Energy: 1.1154293169916005
Energy: 1.6297902004538822
Energy: 1.1156877688536142
Energy: 1.201146249776354
Energy: 1.1682679719381468
Energy: 1.195082471873505
Energy: 1.1154293169908722
Energy: 1.6297902004538822
Energy: 1.1156877688536142
Energy: 1.6297965308603186
Energy: 1.1155907627984734
Energy: 1.195115437508472
Energy: 1.1682715736645952
Energy: 1.2010624737637485
Energy: 1.1156541974453955
Energy: 1.6297965308610474
Energy: 1.1155907627984734
Energy: 1.1951154375092006
Energy: 1.1682715736645952
Energy: 1.1679492078670393
Energy: 1.5184748349445998
Energy: 1.1680999434195514
Energy: 1.1690079444856887
Energy: 1.681155527707331
Energy: 1.3783573197740988
Energy: 1.1679492078663105
Energy: 1.5184748349453283
Energy: 1.1680999434195514
Energy: 1.1690079444849604
Energy: 1.168078142129548
Energy: 1.168730773153296
Energy: 1.1177827920154255
Energy: 1.1687354174580347
Energy: 1.167954546398523
Energy: 1.5178373190340753
Energy: 1.1680781421288198
Energy: 1.168730773153296
Energy: 1.117782792014697
Energy: 1.1687354174580347
Energy: 1.6812977613993263
Energy: 1.1690001695663115
Energy: 1.1680936121684846
Energy: 1.838705833598645
Energy: 1.1679403200053133
Energy: 1.51297937123812
Energy: 1.6812977613985978
Energy: 1.1690001695655832
Energy: 1.1680936121684846
Energy: 1.838705833598645

minimum gb energy = 1.1154293169908722 eV
minimum distance =  2.28069557864837 Angstroms
sigma value = 15


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

Energy: 1.5264111404513736
Energy: 1.267391042963639
Energy: 1.307778962209097
Energy: 1.3059478637791073
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Energy: 1.526411140452034
Energy: 1.267391042963309
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Energy: 1.35440151752997
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Energy: 1.314651082961797
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Energy: 1.3006725628475004
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Energy: 1.3280065099036138
Energy: 1.2370761593023754
Energy: 1.442535933143494
Energy: 1.3182088150285753
Energy: 1.3053763683002497
Energy: 1.4228297183330452
Energy: 1.3196060918834485
Energy: 1.2370761593013848
Energy: 1.4425359331428336
Energy: 1.3182088150289055
Energy: 1.3053763683005801
Energy: 1.2891791872739162
Energy: 1.300760436433346
Energy: 1.2751298866835927
Energy: 1.3049922189000924
Energy: 1.2807501836424668
Energy: 1.4924679322995558
Energy: 1.2891791872745768
Energy: 1.3007604364340064
Energy: 1.2751298866845833
Energy: 1.3049922189000924
Energy: 1.3089927980196996
Energy: 1.3036285056004961
Energy: 1.3128349206649652
Energy: 1.2558728726434318
Energy: 1.3193656689774824
Energy: 1.3028084688056056
Energy: 1.3089927980200298
Energy: 1.3036285056008265
Energy: 1.3128349206643048
Energy: 1.2558728726434318
Energy: 1.260777790209118
Energy: 1.381566686522786
Energy: 1.316447107316331
Energy: 1.3315563615542556
Energy: 1.3892239328241338
Energy: 1.2846203404830865
Energy: 1.2607777902087878
Energy: 1.3815666865224558
Energy: 1.316447107316331
Energy: 1.331556361553595
Energy: 1.2588114380562891
Energy: 1.291619799085732
Energy: 1.3063084622080294
Energy: 1.3312968043576452
Energy: 1.28269483286749
Energy: 1.320708679669606
Energy: 1.2588114380556288
Energy: 1.2916197990840812
Energy: 1.3063084622083596
Energy: 1.3312968043576452
Energy: 1.3245359508021937
Energy: 1.2346489930400706
Energy: 1.3446812594529618
Energy: 1.254029382433862
Energy: 1.314843881199795
Energy: 1.300686736093753
Energy: 1.3245359508018633
Energy: 1.2346489930397404
Energy: 1.3446812594529618
Energy: 1.2540293824341922
Energy: 1.2688003795399585
Energy: 1.2969005874036035
Energy: 1.2804688009726424
Energy: 1.3074492551023185
Energy: 1.3149768495144398
Energy: 1.3035569920960717
Energy: 1.2688003795396283
Energy: 1.2969005874039337
Energy: 1.2804688009723122
Energy: 1.3074492551023185
Energy: 1.2725923920036182
Energy: 1.319722168805136
Energy: 1.4229372932367972
Energy: 1.3275537755897233
Energy: 1.317922440251603
Energy: 1.4407855218458332
Energy: 1.2725923920042785
Energy: 1.319722168804806
Energy: 1.4229372932358066
Energy: 1.3275537755897233
Energy: 1.2930284799293779
Energy: 1.2646980692076593
Energy: 1.3001633946524505
Energy: 1.4124334212769714
Energy: 1.314940206525991
Energy: 1.2896397799093007
Energy: 1.293028479929708
Energy: 1.2646980692076593
Energy: 1.3001633946524505
Energy: 1.4124334212766412
Energy: 1.3090364808286332
Energy: 1.3357246756426684
Energy: 1.2953683118524038
Energy: 1.27013832299879
Energy: 1.2960174718494295
Energy: 1.3299842751080657
Energy: 1.3090364808289634
Energy: 1.335724675643659
Energy: 1.2953683118517432
Energy: 1.27013832299879
Energy: 1.2921181191450781
Energy: 1.2731172559720632
Energy: 1.2869037191990262
Energy: 1.3055199730856453
Energy: 1.3543070810626332
Energy: 1.358243943651514
Energy: 1.2921181191454083
Energy: 1.273117255971733
Energy: 1.2869037191990262
Energy: 1.305519973085315
Energy: 1.3535327310722562
Energy: 1.255277000264791
Energy: 1.4745763667381824
Energy: 1.3011885543049941
Energy: 1.3142317024796384
Energy: 1.2958093924576295
Energy: 1.3535327310725864
Energy: 1.255277000264791
Energy: 1.4745763667385126
Energy: 1.301188554305985
Energy: 1.3008101552666629
Energy: 1.3316230776113707
Energy: 1.2362596077385963
Energy: 1.272025628438991
Energy: 1.2709278440418021
Energy: 1.3352991277496729
Energy: 1.3008101552666629
Energy: 1.3316230776113707
Energy: 1.2362596077389267
Energy: 1.2720256284393212
Energy: 1.3054628229537244
Energy: 1.271608033078273
Energy: 1.2732860820567335
Energy: 1.2947916731209423
Energy: 1.2968767258865201
Energy: 1.3549202447158475
Energy: 1.3054628229540546
Energy: 1.271608033077943
Energy: 1.2732860820570637
Energy: 1.2947916731209423
Energy: 1.35446676094957
Energy: 1.2927513294819346
Energy: 1.3210051056961922
Energy: 1.4076034583410768
Energy: 1.3171259402545568
Energy: 1.2946209665484
Energy: 1.35446676094957
Energy: 1.2927513294819346
Energy: 1.3210051056961922
Energy: 1.4076034583410768
Energy: 1.4014204803520736
Energy: 1.3006752981456908
Energy: 1.2665784983018333
Energy: 1.2929477669651173
Energy: 1.2735103169731141
Energy: 1.3146408657426567
Energy: 1.4014204803487715
Energy: 1.300675298146021
Energy: 1.2665784983021635
Energy: 1.2929477669651173
Energy: 1.330271746576127
Energy: 1.3201639057091825
Energy: 1.339955715328014
Energy: 1.2689377794426253
Energy: 1.441986851310274
Energy: 1.2828488084897958
Energy: 1.3302717465771174
Energy: 1.3201639057095127
Energy: 1.3399557153270232
Energy: 1.2689377794426253
Energy: 1.3054571730463567
Energy: 1.2797694315394172
Energy: 1.2962553506276464
Energy: 1.2655101940832276
Energy: 1.2964548141049996
Energy: 1.3832191887227863
Energy: 1.3054571730460263
Energy: 1.2797694315394172
Energy: 1.2962553506276464
Energy: 1.2655101940825673
Energy: 1.2556004200225706
Energy: 1.2916664875001984
Energy: 1.2687175307284995
Energy: 1.291669839622161
Energy: 1.3010192445613846
Energy: 1.3184619982304866
Energy: 1.2556004200225706
Energy: 1.2916664875008588
Energy: 1.268717530727839
Energy: 1.291669839621831
Energy: 1.330796861863544
Energy: 1.3060098096287076
Energy: 1.3585160355211066
Energy: 1.2597668220295402
Energy: 1.3407373881009188
Energy: 1.258894747716947
Energy: 1.3307968618632136
Energy: 1.3060098096283774
Energy: 1.358516035520116
Energy: 1.2597668220298703

minimum gb energy = 1.2346489930397404 eV
minimum distance =  2.29200070426188 Angstroms
sigma value = 437


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

Energy: 1.2561554841319242
Energy: 1.3573472323753197
Energy: 1.2279911164172732
Energy: 1.2288501840904629
Energy: 1.2280435782209307
Energy: 1.1833285877913877
Energy: 1.2561554841319242
Energy: 1.3573472323765228
Energy: 1.2279911164172732
Energy: 1.2288501840940718
Energy: 1.230372069153843
Energy: 1.6904166570081713
Energy: 1.2283002467523862
Energy: 1.226680618879891
Energy: 1.4651409847599954
Energy: 1.2517108443708618
Energy: 1.230372069153843
Energy: 1.6904166570081713
Energy: 1.2283002467523862
Energy: 1.226680618881094
Energy: 1.1517943222828821
Energy: 1.1959157495186554
Energy: 1.2289473561683035
Energy: 1.1959657136916744
Energy: 1.229398597252588
Energy: 1.3707779461543321
Energy: 1.1517943222840852
Energy: 1.1959157495174526
Energy: 1.2289473561671007
Energy: 1.1959657136928774
Energy: 1.4081056934063165
Energy: 1.1953194460405274
Energy: 1.2280802572673177
Energy: 1.252811566738563
Energy: 1.2285299640282015
Energy: 1.2513843469764205
Energy: 1.4081056934075196
Energy: 1.1953194460393244
Energy: 1.2280802572661147
Energy: 1.2528115667397661
Energy: 1.1482364559629927
Energy: 1.4746129285953231
Energy: 1.2283597379236761
Energy: 1.211161632331893
Energy: 1.226316692286555
Energy: 1.1505619414200174
Energy: 1.1482364559629927
Energy: 1.4746129285953231
Energy: 1.2283597379248792
Energy: 1.211161632333096
Energy: 1.24161771907528
Energy: 1.1834082304383504
Energy: 1.227852064355557
Energy: 1.211587561894326
Energy: 1.2281343087665053
Energy: 1.2116407395781132
Energy: 1.2416177190740771
Energy: 1.1834082304383504
Energy: 1.227852064355557
Energy: 1.211587561894326
Energy: 1.2303905627086213
Energy: 1.1962287733937533
Energy: 1.3251697052131575
Energy: 1.2478149857985243
Energy: 1.228744071756149
Energy: 1.1960139494789697
Energy: 1.2303905627098244
Energy: 1.1962287733925503
Energy: 1.3251697052131575
Energy: 1.247814985797321
Energy: 1.1488444218161715
Energy: 1.196390313596192
Energy: 1.2286968724632215
Energy: 1.252479521394482
Energy: 1.2292110797962268
Energy: 1.1951854992601498
Energy: 1.1488444218173748
Energy: 1.196390313598598
Energy: 1.2286968724632215
Energy: 1.252479521393279
Energy: 1.2346835142002737
Energy: 1.2478336385685487
Energy: 1.6148152060676617
Energy: 1.1829633867112024
Energy: 1.2280584861123773
Energy: 1.2839774454242288
Energy: 1.2346835141990709
Energy: 1.2478336385685487
Energy: 1.6148152060676617
Energy: 1.1829633867124054
Energy: 1.1823629013597985
Energy: 1.1860420121829196
Energy: 1.2288679418733766
Energy: 1.1690156990267129
Energy: 1.2288651277656195
Energy: 1.35615660559545
Energy: 1.1823629013597985
Energy: 1.1860420121817166
Energy: 1.2288679418721737
Energy: 1.1690156990255098
Energy: 1.4016650503583068
Energy: 1.247952118672664
Energy: 1.2282263190274834
Energy: 1.2582499688367628
Energy: 1.3277279659858645
Energy: 1.1959457220289673
Energy: 1.4016650503595098
Energy: 1.247952118672664
Energy: 1.2282263190286864
Energy: 1.2582499688355597
Energy: 1.1485386639449864
Energy: 1.1962253739587987
Energy: 1.3935033216479422
Energy: 1.1953236048398457
Energy: 1.393697447477099
Energy: 1.1965193360574884
Energy: 1.1485386639449864
Energy: 1.1962253739587987
Energy: 1.3935033216467392
Energy: 1.1953236048410487
Energy: 1.4015656168231772
Energy: 1.1959382084621732
Energy: 1.3277279659834584
Energy: 1.2582557986673215
Energy: 1.2327183599936
Energy: 1.2479249892137578
Energy: 1.4015656168231772
Energy: 1.195938208464579
Energy: 1.3277279659846615
Energy: 1.2582557986673215
Energy: 1.1836705992650478
Energy: 1.355890172174074
Energy: 1.2288295485142182
Energy: 1.16902244840851
Energy: 1.2278685319445235
Energy: 1.186344271801775
Energy: 1.1836705992650478
Energy: 1.355890172175277
Energy: 1.2288295485142182
Energy: 1.16902244840851

minimum gb energy = 1.1482364559629927 eV
minimum distance =  2.28530473634196 Angstroms
sigma value = 33