Model name: model_name=Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.149100035429001
cohesive_energy=6.880871308375725
mass=95.95
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: 0.019834912229154067
Energy: 0.020256878479286155
Energy: 0.020336730463200337
Energy: 3.465025091301418
Energy: 0.020336730446056515
Energy: 0.020301327946719124
Energy: 0.019834912229154067
Energy: 0.020256430512223988
Energy: 0.02033673028232441
Energy: 2.7192321109458537
Energy: 1.4203715551122698
Energy: 0.2359192915451923
Energy: 0.020240131185993392
Energy: 1.404101217465562
Energy: 0.020240131185993392
Energy: 0.02063187278016325
Energy: 1.4203715551122698
Energy: 0.021352410077245056
Energy: 0.020240131185993392
Energy: 1.404101217465562
Energy: 0.019834912229154067
Energy: 0.020666928964404557
Energy: 0.020336730596454543
Energy: 3.3022578067762915
Energy: 0.02033673045748573
Energy: 0.02058829415943327
Energy: 0.019834912229154067
Energy: 0.02046890160446139
Energy: 0.020336730177599936
Energy: 2.7192325486787934
Energy: 1.4203715551122698
Energy: 0.02005395544829663
Energy: 0.020240131185993392
Energy: 1.404101217465562
Energy: 0.020240131185993392
Energy: 0.02031279998495125
Energy: 1.4203715551122698
Energy: 0.02046352319128976
Energy: 0.020240131185993392
Energy: 1.404101217465562
Energy: 0.019834912229154067
Energy: 0.02059889876864285
Energy: 0.02033673048034415
Energy: 2.1461513644625034
Energy: 0.020336730158551253
Energy: 0.020633618656747062
Energy: 0.019834912229154067
Energy: 0.0206443549500797
Energy: 0.02033673021946375
Energy: 2.146151365749632
Energy: 1.4203715551141745
Energy: 0.01997763945942006
Energy: 0.020240131185993392
Energy: 1.404101217465562
Energy: 0.020240131185993392
Energy: 0.2719683626516403
Energy: 1.4203715551122698
Energy: 0.020575489935518783
Energy: 0.020240131185993392
Energy: 1.404101217465562
Energy: 0.019834912229154067
Energy: 0.020319465172865512
Energy: 0.020336730398434803
Energy: 2.1461513936949626
Energy: 0.02033673005763651
Energy: 0.02062735505957654
Energy: 0.019834912229154067
Energy: 0.1922291913167795
Energy: 0.02033673036038073
Energy: 2.146151402782874

minimum gb energy = 0.019834912229154067 eV
minimum distance =  2.44417809085032 Angstroms
sigma value = 3


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

Energy: 2.4405517311605913
Energy: 2.266442560995491
Energy: 2.303190886900098
Energy: 2.362623176390785
Energy: 2.3142488523668043
Energy: 2.3645854703628766
Energy: 2.440551986688781
Energy: 2.334774911494278
Energy: 2.30319008486453
Energy: 2.2360796748612373
Energy: 2.33464524135351
Energy: 2.167683315811474
Energy: 2.2673547678064763
Energy: 2.665369562218535
Energy: 2.1223722721705482
Energy: 2.0965477860998343
Energy: 2.324197080399981
Energy: 2.1676832716641083
Energy: 2.2670514583582757
Energy: 2.665369562226467
Energy: 2.149510083083724
Energy: 2.08376903487132
Energy: 2.1989424274436074
Energy: 2.150835544594338
Energy: 2.306077561177512
Energy: 2.14032101967577
Energy: 2.1495100830636606
Energy: 2.0677596375143916
Energy: 2.1989424274333427
Energy: 2.150835544648887
Energy: 2.2479102906068524
Energy: 2.165608592980656
Energy: 2.004156850759118
Energy: 2.2367169858442324
Energy: 2.0079481126520187
Energy: 2.079116300135006
Energy: 2.247909861706249
Energy: 2.165608592977857
Energy: 2.004157674729896
Energy: 2.236716986067605
Energy: 1.9876786699502835
Energy: 2.025373792025716
Energy: 2.1956871497930535
Energy: 2.0113797685018877
Energy: 2.1073572781439327
Energy: 2.240694106575429
Energy: 1.9876786697931257
Energy: 2.0253737919497037
Energy: 2.1956871492408587
Energy: 2.011379768499088
Energy: 2.0991187111709633
Energy: 2.2364678756100567
Energy: 2.022142406778163
Energy: 2.0654180654896295
Energy: 2.1042057410692507
Energy: 2.0061033073807013
Energy: 2.066653166353393
Energy: 2.2364678756100567
Energy: 2.022142406857908
Energy: 2.0562016960810467
Energy: 2.03448639506023
Energy: 2.0049602277773597
Energy: 2.3400732153111723
Energy: 2.1118152903131753
Energy: 2.093160936427906
Energy: 2.2964656462567077
Energy: 2.0344864174132975
Energy: 2.0049602024664583
Energy: 2.3394427171806256
Energy: 2.1118152903141088
Energy: 2.267637571160844
Energy: 2.2936738284840525
Energy: 2.1388324562265275
Energy: 2.105799391779244
Energy: 2.1602810685529508
Energy: 2.185997652218073
Energy: 2.2676202340640343
Energy: 2.2893933835380507
Energy: 2.129288310538582
Energy: 2.1028366712717608
Energy: 2.1963078330592305
Energy: 2.3214633291513125
Energy: 2.8034837430375066
Energy: 2.369090793064575
Energy: 2.1589215563833504
Energy: 2.338467133007542
Energy: 2.1963078331888592
Energy: 2.3214641623360803
Energy: 2.803483775777968
Energy: 2.3690907946591437
Energy: 2.262935677096262
Energy: 2.3103190824475637
Energy: 2.3191176957404385
Energy: 2.416454801244953
Energy: 2.212172062431964
Energy: 2.413460341959517
Energy: 2.168224434206138
Energy: 2.31031907994958
Energy: 2.3191176957400144
Energy: 2.4158372010379687
Energy: 2.087154682709067
Energy: 2.107713556636561
Energy: 2.219118936561808
Energy: 2.1133225279615893
Energy: 2.1012087926277196
Energy: 2.408297775207754
Energy: 2.087154669547126
Energy: 2.1077135617398013
Energy: 2.1554182025658966
Energy: 2.1133225277974326
Energy: 2.0247685564080977
Energy: 2.066223739471166
Energy: 2.1136304429151593
Energy: 2.128696827486923
Energy: 2.062441005907061
Energy: 2.029987627062178
Energy: 2.024768556287292
Energy: 2.0662200487356936
Energy: 2.1136304428927626
Energy: 2.128696826467369
Energy: 2.1089159071258288
Energy: 2.0127060587959167
Energy: 2.126815096950192
Energy: 2.0227860927428725
Energy: 2.010929502886821
Energy: 2.250945345563265
Energy: 2.1089015006694187
Energy: 2.012706058797316
Energy: 2.1962238114602957
Energy: 2.0227860863463563
Energy: 2.005365116683033
Energy: 2.244724213895259
Energy: 2.001030152376545
Energy: 2.05968848404178
Energy: 2.2637292412287113
Energy: 2.007181366431054
Energy: 2.0053651167534463
Energy: 2.2428605278728715
Energy: 2.001030148261596
Energy: 2.0622718776923064
Energy: 2.1547351969247535
Energy: 2.111725210653539
Energy: 2.0588997349668086
Energy: 2.0252276400993368
Energy: 2.015446953133879
Energy: 2.098692668409104
Energy: 2.1547311426334397
Energy: 2.111725210469785
Energy: 2.058906885095078
Energy: 2.0252276897403565
Energy: 2.1028840933769772
Energy: 2.2032606443580414
Energy: 2.114828365225021
Energy: 2.0681410350104152
Energy: 2.407982602114847
Energy: 2.1151922097755893
Energy: 2.1028841040987496
Energy: 2.172898301406503
Energy: 2.114828535553789
Energy: 2.068141761470096
Energy: 2.473600594162403
Energy: 2.214464515915613
Energy: 2.293286253008613
Energy: 2.224142124638866
Energy: 2.4156286527308306
Energy: 2.215926595808516
Energy: 2.473591100083858
Energy: 2.2144645683101407
Energy: 2.2932862550187494
Energy: 2.220126320850991
Energy: 2.3319561751129143
Energy: 2.794550686634411
Energy: 2.3173970393110803
Energy: 2.202151125095403
Energy: 2.324163487376335
Energy: 2.1653858281073872
Energy: 2.3319568896204523
Energy: 2.7952600255335223
Energy: 2.3173970417428067
Energy: 2.2021511256326667
Energy: 2.1238303297606578
Energy: 2.124847349223923
Energy: 2.3039396579957616
Energy: 2.1295669539612128
Energy: 2.202182754960148
Energy: 2.140043301239529
Energy: 2.1238303039049846
Energy: 2.1223443673803777
Energy: 2.3039409389595904
Energy: 2.1294315209617922
Energy: 2.1212590864158543
Energy: 2.3581786550350117
Energy: 2.0129915566934433
Energy: 2.033222409808074
Energy: 2.2908802636488628
Energy: 2.074000809895317
Energy: 2.121259086365038
Energy: 2.343354996276353
Energy: 2.012991556682754
Energy: 2.033222404205788
Energy: 2.0679484134220694
Energy: 2.033275653009859
Energy: 2.176314761010238
Energy: 2.0981284185509224
Energy: 2.0109285809024646
Energy: 2.0964147712851564
Energy: 2.0651687563446517
Energy: 2.033275653009435
Energy: 2.176315039397497
Energy: 2.119553257448967
Energy: 2.0108285874508196
Energy: 2.1827328852296697
Energy: 2.0233470733957994
Energy: 1.9914063613060597
Energy: 2.240694221589121
Energy: 2.055308623336937
Energy: 2.010828587452686
Energy: 2.1827333145331567
Energy: 2.023347073400465
Energy: 1.9914063613069928
Energy: 2.2401250037865874
Energy: 2.0496497774049467
Energy: 2.0765055577782645
Energy: 2.307970305350993
Energy: 2.081497602681208
Energy: 2.0060485151657623
Energy: 2.240125003029685
Energy: 2.049649777405413
Energy: 2.070628686482507
Energy: 2.3079703061125616
Energy: 2.1508355368895726
Energy: 2.10949322912058
Energy: 2.1149955913547998
Energy: 2.1605645069845925
Energy: 2.122232390147878
Energy: 2.280300151722414
Energy: 2.150835536907727
Energy: 2.1094897234783607
Energy: 2.1149955897704955
Energy: 2.1605645069845925
Energy: 2.6483494286827822
Energy: 2.2707944438579215
Energy: 2.1433252229622193
Energy: 2.3484601810481713
Energy: 2.111642955799329
Energy: 2.1110927167882108
Energy: 2.64834942510094
Energy: 2.2712503855281074
Energy: 2.1347434008913866
Energy: 2.348588600088882
Energy: 2.231967648191737
Energy: 2.3138747614647546
Energy: 2.3645866857645963
Energy: 2.4405487109825765
Energy: 2.2461186606547034
Energy: 2.303107550530422
Energy: 2.2319678329724977
Energy: 2.313874710731477
Energy: 2.3645865063519755
Energy: 2.440548530636213
Energy: 2.665369562180274
Energy: 2.1223722753377987
Energy: 2.09654778609661
Energy: 2.3309770872998583
Energy: 2.167683409646519
Energy: 2.2671999069235382
Energy: 2.665369562181207
Energy: 2.122372275767788
Energy: 2.0965477860989012
Energy: 2.328480819244113
Energy: 2.1508355523176825
Energy: 2.3060775611066324
Energy: 2.263508513826775
Energy: 2.1495100827581677
Energy: 2.067759640810338
Energy: 2.198942427427277
Energy: 2.1508355525503866
Energy: 2.3060775611331854
Energy: 2.1403552166886985
Energy: 2.1495100827581677
Energy: 2.23671698983371
Energy: 2.0079481109790613
Energy: 2.0791163020574643
Energy: 2.2478827735121856
Energy: 2.165608593018408
Energy: 2.004157912113201
Energy: 2.236716990319733
Energy: 2.00794811103132
Energy: 2.0791163020914833
Energy: 2.2478831399068806

minimum gb energy = 1.9876786697931257 eV
minimum distance =  2.39009456548143 Angstroms
sigma value = 75


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

Energy: 2.81665419534041
Energy: 2.2525245966250944
Energy: 2.145395251926979
Energy: 2.2937242415120895
Energy: 2.308914270606005
Energy: 2.2857107266426744
Energy: 2.8166541953426867
Energy: 2.2450555903223064
Energy: 2.1496422809629316
Energy: 2.3216246027505827
Energy: 2.1554170705499134
Energy: 2.2942339235894047
Energy: 2.323303474086144
Energy: 2.3449354911238625
Energy: 2.248132710392119
Energy: 2.166820343447201
Energy: 2.1425993338463782
Energy: 2.294233912674939
Energy: 2.3233034741384677
Energy: 2.34879294477987
Energy: 2.008421288386532
Energy: 1.9761419823353268
Energy: 2.123868783077966
Energy: 2.0461017020907564
Energy: 2.1161371373335998
Energy: 2.1431813411407554
Energy: 2.008421279379117
Energy: 1.9761419138696281
Energy: 2.1238695734456035
Energy: 2.047854082831226
Energy: 2.0523854647392072
Energy: 2.0265069466892203
Energy: 2.0305993421431268
Energy: 2.046317415960355
Energy: 2.0172129049456426
Energy: 2.0300877250933818
Energy: 2.045647219218317
Energy: 2.0264988004480835
Energy: 2.0305993433037743
Energy: 2.0324934065917515
Energy: 1.9589760945161825
Energy: 2.025131818612882
Energy: 2.3751087661489025
Energy: 2.262271065055369
Energy: 2.095598590854546
Energy: 2.1922523101978912
Energy: 1.9589760918262604
Energy: 2.025131818612882
Energy: 2.375101835475193
Energy: 2.2622710653921625
Energy: 2.2028238331940324
Energy: 2.2326700278962415
Energy: 2.079946653819935
Energy: 2.282860668584981
Energy: 2.267505660664881
Energy: 2.308790056018337
Energy: 2.195940851019983
Energy: 2.2332198033768016
Energy: 2.0920434284471403
Energy: 2.282860667984208
Energy: 2.4010265251945837
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Energy: 2.3047222909532574
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Energy: 2.0965507218640163
Energy: 2.3513076532439303
Energy: 2.3083720152272886
Energy: 2.676484378072307
Energy: 2.2745057275045575
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Energy: 2.2402551086372413
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Energy: 2.257610356463937
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Energy: 2.0214098771155267
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Energy: 1.9747026768271987
Energy: 2.0172278096389182
Energy: 1.9983545978594377
Energy: 2.0467333613861722
Energy: 2.014542741002633
Energy: 2.086978473489481
Energy: 1.987959732247776
Energy: 2.0172278096411946
Energy: 1.9983546563778767
Energy: 2.046733394985215
Energy: 2.0110190004299087
Energy: 2.007695085797169
Energy: 2.1249127806312083
Energy: 2.058755309173674
Energy: 2.16759844613962
Energy: 1.9923586603586283
Energy: 2.011019000095392
Energy: 2.0300102002729017
Energy: 2.140928341176682
Energy: 2.0522517140828422
Energy: 2.1019273001412553
Energy: 2.061663880914966
Energy: 2.027226168320748
Energy: 2.2518538412004054
Energy: 2.2630644159752418
Energy: 2.073428430094572
Energy: 2.1041583880228494
Energy: 2.061663880958183
Energy: 2.027226167612968
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Energy: 2.3978071943051242
Energy: 2.244725421466002
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Energy: 2.3265048298215167
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Energy: 3.005634540103599
Energy: 2.327023380639782
Energy: 2.252808905689161
Energy: 2.149063576986922
Energy: 2.0261904651793365
Energy: 2.374456988553063
Energy: 3.005634543173573
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Energy: 2.208291842527018
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Energy: 2.305514739532155
Energy: 2.1759968339364275
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Energy: 2.1310951248027723
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Energy: 1.9750526390443652
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Energy: 2.0488632881817366
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Energy: 2.2390708359181106
Energy: 2.14682944373943
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Energy: 2.0488614324365977
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Energy: 2.4149543807155047
Energy: 2.119145175497613
Energy: 2.127661297397357
Energy: 2.1928308902082407
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Energy: 2.2198690952602957
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Energy: 2.0117253909762005
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Energy: 2.4483808908906526
Energy: 2.315650674488851
Energy: 2.2198664440407616
Energy: 2.2832887638438706
Energy: 1.9897053901163386
Energy: 2.4006016791415963
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Energy: 2.2687093606320072
Energy: 2.2302826751335325
Energy: 2.0529451918436386
Energy: 2.123165248449631
Energy: 2.337340666912739
Energy: 2.1691211529656895
Energy: 2.2687093606320072
Energy: 2.2301991171846467
Energy: 2.052795676986826
Energy: 1.9738029784156375
Energy: 2.1636483509039017
Energy: 2.0939604732413026
Energy: 2.0654693735532588
Energy: 2.335798065427421
Energy: 2.007707842334629
Energy: 1.9738029849174241
Energy: 2.163647760036941
Energy: 2.0890799328219654
Energy: 2.0654693731390554
Energy: 2.2793714003821424
Energy: 1.9967170497849018
Energy: 2.0211480349349737
Energy: 2.1421385988672728
Energy: 2.0254444528631868
Energy: 2.0985161040961953
Energy: 2.279371400361652
Energy: 1.996717049789455
Energy: 2.0210121556423934
Energy: 2.121329912659132
Energy: 2.3017180603266376
Energy: 2.18278612982159
Energy: 2.0815815187733175
Energy: 2.1246280350736617
Energy: 2.2888718329654116
Energy: 2.2020320845654453
Energy: 2.3017180603266376
Energy: 2.181992850972179
Energy: 2.1222828935005253
Energy: 2.125868030407697
Energy: 2.1595102753881434
Energy: 2.094680277056212
Energy: 2.3242475508582463
Energy: 2.7089685019435983
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Energy: 2.1529087937409725
Energy: 2.053389704866217
Energy: 2.3242475504235522
Energy: 2.709971204842517
Energy: 2.3463764836408125
Energy: 2.212472796587085
Energy: 2.3055459255271065
Energy: 2.221431144499872
Energy: 2.369121666472224
Energy: 2.434999196529488
Energy: 2.3463764837204577
Energy: 2.212472662475344
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minimum gb energy = 1.9589760918262604 eV
minimum distance =  2.23330744019156 Angstroms
sigma value = 105


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

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Energy: 2.430022498580003
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Energy: 2.613163247639114
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Energy: 2.0029915902337527
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Energy: 2.1210330411400524
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Energy: 2.2326190695861228
Energy: 2.5181945988311583
Energy: 2.099134385077414
Energy: 2.075278230526909
Energy: 2.282932829309236
Energy: 2.4318407945834695
Energy: 2.259165756026548
Energy: 2.5181980976939404
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Energy: 2.094857003449152
Energy: 2.12823948861307
Energy: 2.2034391277656757
Energy: 2.519566684237334
Energy: 2.1598603313024993
Energy: 2.006667731621157
Energy: 2.0948570086724563
Energy: 2.1282552021321828
Energy: 2.2034394067373366
Energy: 1.9410012450382823
Energy: 2.109993053933305
Energy: 2.2325341028861754
Energy: 1.9413548152118563
Energy: 2.2308542031718646
Energy: 2.1307687643392197
Energy: 2.0494162750940337
Energy: 2.1099930539317637
Energy: 2.2325341028977106
Energy: 1.9413548151887394
Energy: 1.9597876757803128
Energy: 2.2251826853165886
Energy: 2.0799229735123848
Energy: 2.078197696052597
Energy: 2.0241692677724457
Energy: 1.949405677344516
Energy: 1.9597876748154819
Energy: 2.2251826853165886
Energy: 2.0799229733693414
Energy: 2.0914653813203956
Energy: 2.0832217659816408
Energy: 2.109327135917364
Energy: 2.1706732201607797
Energy: 2.0814452917177904
Energy: 2.0569127708262207
Energy: 2.43540142738863
Energy: 2.0840169272639177
Energy: 2.1024580615033805
Energy: 2.1706732198875818
Energy: 2.081341368152266

minimum gb energy = 1.9003600117464645 eV
minimum distance =  2.34886010542518 Angstroms
sigma value = 165


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

Energy: 2.0765776967628957
Energy: 2.4449733453864653
Energy: 2.0727096584920153
Energy: 2.456244346885057
Energy: 2.0908611439650855
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Energy: 2.0765776967628957
Energy: 2.4449733453891107
Energy: 2.071396200205982
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Energy: 2.1329579587043614
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Energy: 2.035577388303486
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Energy: 1.8192997729818114
Energy: 2.021947979278089
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Energy: 2.2895580420887374
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Energy: 2.5108037747349092
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Energy: 2.28955803083775
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Energy: 2.217588103802966
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Energy: 2.1922231317863092
Energy: 2.089051555424314
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Energy: 2.4995958964748968
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Energy: 1.8966926455614654
Energy: 2.205579950146194
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Energy: 2.0082689925127215
Energy: 1.8874019189154172
Energy: 1.9245217325890718
Energy: 1.89669264554383
Energy: 2.205579950146194
Energy: 2.154846546337388
Energy: 2.0082689925321207
Energy: 1.9576757975673822
Energy: 2.1595530127815015
Energy: 2.194320633208349
Energy: 1.8550770624804012
Energy: 2.272010129207896
Energy: 2.149678001062784
Energy: 1.9574247626964003
Energy: 2.159553012776211
Energy: 2.1943206332109946
Energy: 1.8550770665462615
Energy: 2.2195130062407746
Energy: 2.0319052507596247
Energy: 2.31779796879452
Energy: 2.1387339393032607
Energy: 1.890707188578363
Energy: 1.864214625735472
Energy: 2.2195130060125132
Energy: 2.031905250878585
Energy: 2.3177979851381627
Energy: 2.138733976416897
Energy: 2.275969047721499
Energy: 2.0908611457657664
Energy: 2.439162541822466
Energy: 2.0765776967875857
Energy: 2.4449733453838203
Energy: 2.0717760624615704
Energy: 2.2759703144130015
Energy: 2.0908611408449373
Energy: 2.439162567320257
Energy: 2.076577696806985

minimum gb energy = 1.8192997729818114 eV
minimum distance =  2.273185150612 Angstroms
sigma value = 41


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

Energy: 2.5440207503818897
Energy: 2.248085265562843
Energy: 1.99378027291766
Energy: 2.3569634456202806
Energy: 1.95513233334603
Energy: 2.255512783964462
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Energy: 2.248085265621004
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Energy: 1.9161582906348726
Energy: 2.0869021589615544
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Energy: 2.0230831443729156
Energy: 2.118952244612548
Energy: 1.895111359262247
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Energy: 1.87608523251408
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Energy: 2.2514238346833997
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Energy: 1.954265289293053
Energy: 1.9338422103926611
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Energy: 2.1119859427688015
Energy: 1.9143224821766018
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Energy: 2.1119859531032
Energy: 1.9143224821834441
Energy: 1.921698199705662
Energy: 2.1117551645636943
Energy: 1.956990955527576
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Energy: 1.9579698788769135
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Energy: 2.414242187013437
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Energy: 1.9538378115336137
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Energy: 2.4250795965156424
Energy: 2.1622875613655923
Energy: 1.9724981258898793
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Energy: 1.9538765411468006
Energy: 2.1635682337087236
Energy: 2.4250795965156424
Energy: 2.1622875614373767
Energy: 1.9221248602650647
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Energy: 2.132877929566417
Energy: 2.1174283621865184
Energy: 1.871637503517931
Energy: 1.9642993188948
Energy: 1.9221269731734425
Energy: 2.0457760516433696
Energy: 2.1464912546730157
Energy: 2.1134124344014897
Energy: 2.032529177041283
Energy: 2.0951017390577573
Energy: 1.9148547521543107
Energy: 1.9132978827114533
Energy: 2.14924124719675
Energy: 2.0922695953147454
Energy: 2.0325291770310194
Energy: 2.095101741379725
Energy: 1.9148547527869302
Energy: 1.913297882663556
Energy: 2.0621135509902517
Energy: 1.9261206167316192
Energy: 2.3715531661398614
Energy: 2.0298117110270453
Energy: 1.859219474661149
Energy: 1.8806911923953167
Energy: 2.0621135503678962
Energy: 1.9261215210712594
Energy: 2.371553291318981
Energy: 2.0298117110167815
Energy: 2.110751598237803
Energy: 1.9302366422464339
Energy: 2.1866997438597466
Energy: 2.256461626470108
Energy: 2.1396297419203347
Energy: 2.0491335292514137
Energy: 2.110761422159617
Energy: 1.9302366425097455
Energy: 2.186699743753688
Energy: 2.256461628118401
Energy: 1.9797195829968544
Energy: 1.969025477141503
Energy: 2.0672169929284583
Energy: 2.2759799922605652
Energy: 2.1120003443071984
Energy: 1.8698576751826597
Energy: 1.9797195769131344
Energy: 1.9690254912444343
Energy: 2.0672015343311516
Energy: 2.275979990557532

minimum gb energy = 1.8369832916679094 eV
minimum distance =  2.29474981203572 Angstroms
sigma value = 185


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

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Energy: 2.3672458761554402
Energy: 2.2759334943492244
Energy: 2.6217908994956574
Energy: 2.2777902860933708
Energy: 2.3489467167371143
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Energy: 2.401801666138589
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Energy: 1.8092352639894282
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Energy: 2.3821158677104766
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Energy: 1.998317830687714
Energy: 1.7895767940661633
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Energy: 2.4091586983674445
Energy: 1.9983178306690323
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Energy: 2.4290031201416804
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Energy: 1.826488305237735
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Energy: 2.365848849701373
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Energy: 1.821354529016252
Energy: 1.7581903593116508
Energy: 2.372747338127515
Energy: 1.798921313595288
Energy: 1.833223279545625
Energy: 2.336675287513993
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Energy: 2.044356607455463
Energy: 2.3727473382439968
Energy: 1.7989213138689013
Energy: 1.8311631430695958
Energy: 2.3229653862886925
Energy: 2.1031132526341736
Energy: 2.2712918792093566
Energy: 2.174867243402817
Energy: 1.7729996395626917
Energy: 2.3519509718102913
Energy: 2.258984172129657
Energy: 2.0630550539884656
Energy: 2.2712918011497134
Energy: 2.1748672371862745
Energy: 1.7729996395622858
Energy: 1.7697713401100965
Energy: 2.483512601080073
Energy: 2.276766237003906
Energy: 1.7865473826214076
Energy: 2.2829139372503913
Energy: 2.3455487486562245
Energy: 1.7697713401117212
Energy: 2.483512602703443
Energy: 2.2767662373542397
Energy: 1.8465121211038347
Energy: 2.3817950826234
Energy: 1.8344148941583294
Energy: 1.8016772696383594
Energy: 2.3540974084015986
Energy: 2.0389857400903186
Energy: 2.642552470041028
Energy: 2.393811315863711
Energy: 1.832320787607019
Energy: 1.8016772697597154
Energy: 2.3540974082246047
Energy: 1.7601204467541505
Energy: 1.8310376065861587
Energy: 1.8043749080260192
Energy: 2.3629519558799683
Energy: 2.106416781363858
Energy: 2.3665867851884776
Energy: 1.7601204467513076
Energy: 1.831037606587783
Energy: 1.804388586318043
Energy: 2.3622181266780125
Energy: 2.3203504624085975
Energy: 2.398672522220509
Energy: 1.807225180260696
Energy: 2.355202114299413
Energy: 2.3365710055989917
Energy: 1.8239050676981343
Energy: 2.320340541157742
Energy: 2.39867252820933
Energy: 1.8072251805395894
Energy: 2.3552021185366034
Energy: 1.8092352639857732
Energy: 1.7759808590210258
Energy: 1.8340863817105861
Energy: 2.382224515306169
Energy: 2.090792050409347
Energy: 1.8044465010512798
Energy: 1.809235263984961
Energy: 1.7759864096826834
Energy: 1.8401525284458768
Energy: 2.382220405857978

minimum gb energy = 1.7581903592897206 eV
minimum distance =  2.27103324608694 Angstroms
sigma value = 33


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

Energy: 2.234215920614472
Energy: 2.2696645147772028
Energy: 2.181645514103092
Energy: 2.544478430112601
Energy: 2.2170879152713185
Energy: 2.2625019754077487
Energy: 2.2342159155090036
Energy: 2.275215656971622
Energy: 2.1816432218224118
Energy: 2.4782005161180494
Energy: 2.408296406807117
Energy: 2.2949730509740913
Energy: 2.1468748977059917
Energy: 2.038622622857855
Energy: 1.952920145329514
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Energy: 2.038622622857855
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Energy: 1.9349494282502802
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Energy: 1.9617985282178483
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Energy: 1.9149290669487908
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Energy: 2.196901829952916
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Energy: 2.021927362355852
Energy: 1.92190124461462
Energy: 2.1571068590900495
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Energy: 2.0376386274311575
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Energy: 2.2917783446816054
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Energy: 2.2898543394209416
Energy: 2.1535370286537137
Energy: 2.024779273564827
Energy: 1.9406220362312894
Energy: 1.955193530034186
Energy: 2.0405040007625543
Energy: 2.3014284765975423
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Energy: 2.024779274019438
Energy: 1.940622036258043
Energy: 1.9575824080737758
Energy: 2.091178365804303
Energy: 2.303715741726922
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Energy: 1.9400327715425616
Energy: 1.9160806050795705
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Energy: 2.008574875830842
Energy: 1.9400327715470205
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Energy: 2.1453793614115364
Energy: 2.2494410534266627
Energy: 2.1983815730174703
Energy: 2.233670051116187
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Energy: 2.040325789963668
Energy: 2.1453793613825938
Energy: 2.2494410995742222
Energy: 2.1981239973719044
Energy: 1.9294327881173914
Energy: 2.354127360133321
Energy: 2.1812585689764754
Energy: 2.163885676200975
Energy: 2.129308821423617
Energy: 1.9140080477906625
Energy: 1.9826551610654581
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Energy: 2.2499680537986144
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Energy: 2.3014662025468438
Energy: 2.0573886627694695
Energy: 2.155049652504201
Energy: 2.2164692892974993
Energy: 2.1793914272625052

minimum gb energy = 1.8825390204826522 eV
minimum distance =  2.1867305988756 Angstroms
sigma value = 219


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

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Energy: 1.9318817077008592
Energy: 2.8819075431541306
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Energy: 1.9676264478802965
Energy: 1.9375283083568808
Energy: 2.2122261725826635
Energy: 1.9407891586372985
Energy: 2.053404840616052

minimum gb energy = 1.8059192442450405 eV
minimum distance =  2.30268697945083 Angstroms
sigma value = 15


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

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Energy: 2.040660854192262
Energy: 2.745095817135361
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Energy: 2.033751189839915
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minimum gb energy = 1.9451194471014706 eV
minimum distance =  2.27571072858611 Angstroms
sigma value = 293


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

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Energy: 2.342521791781007
Energy: 2.111170595976626
Energy: 2.6956236526150197
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Energy: 2.0602776738956923
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Energy: 2.2333390901585917
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Energy: 2.060696542450357
Energy: 2.192172888348592
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Energy: 1.9406848530789111
Energy: 2.258610457945126
Energy: 2.217648893794996
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Energy: 2.206767664993519
Energy: 2.3697210128452686
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Energy: 2.044472790372418
Energy: 2.2312837559615675
Energy: 2.1083898660554152
Energy: 2.2067676709466117
Energy: 2.020310102353442
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Energy: 2.050910574226609
Energy: 2.42877787595512
Energy: 2.287337598446713
Energy: 2.195850947560992
Energy: 2.020310087634563
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Energy: 2.0509105742349107
Energy: 2.4236751666348235
Energy: 2.0389988885337673
Energy: 2.2409698242212226
Energy: 2.2017965550628937
Energy: 2.1798988283206904
Energy: 2.3245975721443584
Energy: 2.245336412984485
Energy: 2.0389988887080133
Energy: 2.228200435563323
Energy: 2.2017963829818954
Energy: 2.1819816380149843
Energy: 2.1261768951590545
Energy: 2.086932427916022
Energy: 2.0750293352063274
Energy: 2.1249494010748884
Energy: 1.9936340633527545
Energy: 1.994815574946899
Energy: 2.1261768953003055
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Energy: 2.0750293352156586
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Energy: 2.083368010056825
Energy: 2.1841020811178478
Energy: 2.2104535043515856
Energy: 2.0432395102772656
Energy: 2.247791039450311
Energy: 2.30668429152299
Energy: 2.446314490322092
Energy: 2.1841019354167703
Energy: 2.1939670503681596
Energy: 2.043239510276599
Energy: 2.438822559686923
Energy: 2.045583067389297
Energy: 2.155490662620055
Energy: 2.025116709607146
Energy: 2.17372199491846
Energy: 2.286838350884732
Energy: 2.425318032319511
Energy: 2.0455830673899635
Energy: 2.1554904542966686
Energy: 2.025116709614812
Energy: 2.211226256378697
Energy: 2.15182809099167
Energy: 2.231283817425901
Energy: 2.044288581988653
Energy: 1.9911143919944592
Energy: 2.3697202878521035
Energy: 2.2112262563866953
Energy: 2.15182082111003
Energy: 2.231283786231168
Energy: 2.0393858367386892
Energy: 2.171393959227955
Energy: 2.3438404794095207
Energy: 2.2416676585225015
Energy: 2.6226442257547786
Energy: 2.129878404132769
Energy: 2.3889905082378773
Energy: 2.1713939592219558
Energy: 2.34383855714762
Energy: 2.241667658254997
Energy: 2.62268694621987

minimum gb energy = 1.9353832747623143 eV
minimum distance =  2.2968740799723 Angstroms
sigma value = 293


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

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Energy: 1.7297152057778165
Energy: 1.7756795888477352
Energy: 2.312116802966799
Energy: 1.7198627067091203
Energy: 2.123786874601891
Energy: 1.746628557162394
Energy: 1.7279090803580208
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Energy: 1.827197649877528
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Energy: 1.9026092256898433
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Energy: 1.9026092293753212
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Energy: 1.86677659577425
Energy: 1.8240765639374685
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Energy: 1.744406489288133
Energy: 1.782838136490473
Energy: 2.9835343823927154
Energy: 1.7347599579682624
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Energy: 2.5465050463483356
Energy: 1.788459798276768
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Energy: 1.8124907406533521
Energy: 2.094779334769038
Energy: 2.55163541209002
Energy: 2.158440573583027
Energy: 1.7945664717048737
Energy: 2.4888424809766967
Energy: 1.8124907406521475
Energy: 2.0947793347401515
Energy: 2.551635412088213
Energy: 2.11833116621204
Energy: 1.7466285571600118
Energy: 1.7374190777807266
Energy: 1.775679608589557
Energy: 2.3748789310701826
Energy: 1.7214083543854757
Energy: 2.123922946232052
Energy: 1.7466285571605868
Energy: 1.722749753816756
Energy: 1.7756796106366919
Energy: 2.374878932393595
Energy: 1.7723064437289653
Energy: 2.9835343824511456
Energy: 1.7307103191816045
Energy: 2.3912872927470854
Energy: 2.5465050471467254
Energy: 1.724368754745182
Energy: 1.7276141855911684
Energy: 2.9835343824457246
Energy: 1.7334024047580057
Energy: 2.391287289045945
Energy: 1.911022381806142
Energy: 1.746154965967738
Energy: 2.4162656879984117
Energy: 1.827197557464059
Energy: 1.850218423368328
Energy: 1.7154622598910998
Energy: 1.911022382007252
Energy: 1.7461550081018196
Energy: 2.416265687997809
Energy: 1.827197557143734
Energy: 2.4110502392676305
Energy: 1.8207325060446455
Energy: 1.9026092235981324
Energy: 1.7181243247074485
Energy: 1.8686397915945243
Energy: 1.8240773822317269
Energy: 2.411049977829503
Energy: 1.8207325060458504
Energy: 1.902609225926466
Energy: 1.7181243247062437
Energy: 1.7945666111589929
Energy: 2.496872186293181
Energy: 1.8124907406611832
Energy: 2.0947793346811463
Energy: 2.551635412023184
Energy: 2.1588163712854405
Energy: 1.7945666303010706
Energy: 2.493067655911265
Energy: 1.812490740659376
Energy: 2.0947793346811463
Energy: 1.7242660082328412
Energy: 2.1239227959864326
Energy: 1.7466285571617917
Energy: 1.7309274484934893
Energy: 1.7756795930829603
Energy: 2.374878932895754
Energy: 1.7243072937790749
Energy: 2.1239227965150698
Energy: 1.7466285571594096
Energy: 1.7227336472024373
Energy: 2.546505036917567
Energy: 1.775262845356048
Energy: 1.7775180237143589
Energy: 2.9835343824981306
Energy: 1.7293154532931303
Energy: 2.391287292117907
Energy: 2.546505035666385
Energy: 1.7254699154682307
Energy: 1.7713714077915765
Energy: 2.9835343823674707

minimum gb energy = 1.7154622598398983 eV
minimum distance =  2.44899075979433 Angstroms
sigma value = 15


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

Energy: 2.571230195895197
Energy: 2.2549290175624135
Energy: 2.072064357295101
Energy: 2.570211241998139
Energy: 2.0652362867331377
Energy: 2.24200341727707
Energy: 2.571230195895197
Energy: 2.2409578458612205
Energy: 2.072064357295101
Energy: 2.544965766739542
Energy: 2.2818105843353456
Energy: 2.3442636211887358
Energy: 2.0809780635618607
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Energy: 2.040648832187973
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Energy: 2.068381780128821
Energy: 2.1931839093550485
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Energy: 2.334384612107373
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Energy: 2.1989638164460943
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Energy: 2.0619988026623552
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Energy: 2.1269308278743115
Energy: 2.473671674036727
Energy: 2.027581885160101
Energy: 2.2663310862484107
Energy: 2.3594349800445276
Energy: 2.2559363146454743
Energy: 2.126930829247179
Energy: 2.502261646113392
Energy: 2.027581885160101
Energy: 2.4584762025774043
Energy: 2.116267315214254
Energy: 2.1080077348833046
Energy: 1.9491855395884046
Energy: 2.048775987108974
Energy: 2.08484171055616
Energy: 2.4257115807794674
Energy: 2.1162673061610606
Energy: 2.108007737094052
Energy: 1.94918553981221
Energy: 2.2546066725257177
Energy: 2.2205133213352495
Energy: 2.056393060226722
Energy: 2.2426507143638976
Energy: 2.056626380604563
Energy: 2.1960384728245104
Energy: 2.2448719428734107
Energy: 2.2300842531250344
Energy: 2.056393060240375
Energy: 2.219442372966594
Energy: 2.123790843995305
Energy: 2.278975062944951
Energy: 2.0613059886852887
Energy: 2.172640406066115
Energy: 2.0090963834741458
Energy: 2.1443042544230364
Energy: 2.128728128992252
Energy: 2.281288896022563
Energy: 2.0613059886852887
Energy: 2.235045093642576
Energy: 2.4276908822481054
Energy: 2.0218023089611608
Energy: 2.0835779999511574
Energy: 1.9521028951240775
Energy: 2.1729175593061933
Energy: 2.1301448071166047
Energy: 2.4984843541744826
Energy: 2.021559815844774
Energy: 2.07230463569538
Energy: 1.952102895156844
Energy: 2.3092732229415667
Energy: 2.3369547236324673
Energy: 2.2520271105172824
Energy: 2.0120859176542605
Energy: 2.3824752759833614
Energy: 2.1025656087520432
Energy: 2.310076010249969
Energy: 2.336954720605634
Energy: 2.2489354759798457
Energy: 2.01208591765153
Energy: 2.0152322401550498
Energy: 2.108568028960438
Energy: 2.3323682323315937
Energy: 2.087980509689495
Energy: 2.036738427844137
Energy: 2.212744258750071
Energy: 2.0193014184474816
Energy: 2.1099506078223635
Energy: 2.332368131952224
Energy: 2.087980509157287
Energy: 2.2970309290275117
Energy: 2.1931448272934926
Energy: 2.161172176347738
Energy: 2.378029196943348
Energy: 2.065172486182298
Energy: 2.291611472500634
Energy: 2.297007253577546
Energy: 2.1931499542887862
Energy: 2.161172177106481
Energy: 2.3703491704544297
Energy: 2.0650357626018088
Energy: 2.2571185777654916
Energy: 2.099046042854624
Energy: 2.0497834056037445
Energy: 1.9782179243761204
Energy: 2.07996204639467
Energy: 2.065413538632416
Energy: 2.257217815714932
Energy: 2.0990450862675116
Energy: 2.055250162958431
Energy: 2.1913224127837543
Energy: 2.2118367876852036
Energy: 2.3566401356868956
Energy: 2.071439605730923
Energy: 2.18271635606074
Energy: 1.988295690839174
Energy: 2.1913228439144827
Energy: 2.2590365200762648
Energy: 2.3566401593966075
Energy: 2.071439605741845
Energy: 2.3053210355712186
Energy: 2.1010515599643895
Energy: 2.335947806332152
Energy: 2.0681809687759216
Energy: 2.1172160247793284
Energy: 1.9862951756443332
Energy: 2.301308276383842
Energy: 2.056302821582883
Energy: 2.3308941670006167
Energy: 2.0681809687376944
Energy: 2.077398270923058
Energy: 2.4220748209013117
Energy: 2.0683557779421236
Energy: 2.003389973558707
Energy: 1.9775914588325516
Energy: 2.1500397893317444
Energy: 2.0773982709175964
Energy: 2.3735256634346698
Energy: 2.07221476265631
Energy: 1.997801834915069
Energy: 2.0858586116394626
Energy: 2.3076074371659487
Energy: 2.3754543055989386
Energy: 2.209752655565464
Energy: 2.008029881045534
Energy: 2.394713375520816
Energy: 2.085858627499605
Energy: 2.3136791541220183
Energy: 2.3755764767483236
Energy: 2.2097495830911114
Energy: 2.116907458647219
Energy: 2.0772525818553023
Energy: 2.259675825483536
Energy: 2.196592025634567
Energy: 2.0939620045935046
Energy: 2.0284593473156365
Energy: 2.1182069303858735
Energy: 2.077226025546423
Energy: 2.259484963145955
Energy: 2.1965921727209867
Energy: 2.4259618829426173
Energy: 2.178754467470119
Energy: 2.2116359395870244
Energy: 2.284208484163776
Energy: 2.35795843019173
Energy: 2.0692899124950896
Energy: 2.4570457313214367
Energy: 2.1787544675192194
Energy: 2.221548566298027
Energy: 2.284208492823921
Energy: 2.0865439336634886
Energy: 2.065685913317371
Energy: 2.215748208478814
Energy: 2.0506542696018086
Energy: 2.2658656450922625
Energy: 1.989117489213123
Energy: 2.086543841422977
Energy: 2.065678004084859
Energy: 2.2125355900895807
Energy: 2.0506189651975384
Energy: 1.9973654555031561
Energy: 2.1368235057651686
Energy: 2.3013807244040607
Energy: 2.452967427123114
Energy: 2.0908687207781123
Energy: 2.4384718567810966
Energy: 1.9973654555058866
Energy: 2.135024234394205
Energy: 2.301363706717012
Energy: 2.4529632415644333
Energy: 1.9479834581615998
Energy: 2.0660533675506816
Energy: 2.090712555923129
Energy: 2.4606308445934113
Energy: 2.1417307968514634
Energy: 2.1344326777993827
Energy: 1.9479834571954342
Energy: 2.077416688529161
Energy: 2.0908125080949946
Energy: 2.4626670610123265
Energy: 2.1324763759442753
Energy: 2.0570024174749
Energy: 2.281869154642514
Energy: 2.092479077781141
Energy: 2.1495244639053026
Energy: 1.9656888867935927
Energy: 2.13677273848709
Energy: 2.0570024174667085
Energy: 2.2259241517763346
Energy: 2.0751677197951817

minimum gb energy = 1.9475107830058247 eV
minimum distance =  2.38096117046016 Angstroms
sigma value = 437


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

Energy: 2.277854762686629
Energy: 2.4361039887784304
Energy: 2.065062688944306
Energy: 2.6947076457362615
Energy: 2.0954268045191906
Energy: 2.139566943764611
Energy: 2.2778547626856342
Energy: 2.4360429912829153
Energy: 2.0650626888777004
Energy: 2.536682281171877
Energy: 2.1503316067438734
Energy: 2.3333171457162565
Energy: 2.046201723532107
Energy: 2.1035924112224067
Energy: 2.1737945216160006
Energy: 2.1408012590357157
Energy: 2.1503314607911235
Energy: 2.3273118135396813
Energy: 2.046201727213174
Energy: 2.103592432432763
Energy: 2.105566802251082
Energy: 2.1291100136412813
Energy: 2.474808166415414
Energy: 1.989756785290088
Energy: 2.2827718831082637
Energy: 2.1856245567910775
Energy: 2.1055691260248026
Energy: 2.129110013635313
Energy: 2.47480816666203
Energy: 1.9897567853477403
Energy: 2.337227049472335
Energy: 2.0935395611425665
Energy: 2.035114301958668
Energy: 1.9836471149608352
Energy: 2.0170208065400446
Energy: 2.1329106632614807
Energy: 2.337226184915515
Energy: 2.093539561073972
Energy: 2.035114302402161
Energy: 1.9836471149627797
Energy: 2.071434573696078
Energy: 2.1534248738159953
Energy: 2.04086483649885
Energy: 2.076364482077975
Energy: 1.9728093759664924
Energy: 2.1718737475028678
Energy: 2.0714535791397712
Energy: 2.148314418208007
Energy: 2.040864836499845
Energy: 2.074283039745505
Energy: 1.994246436346662
Energy: 2.497365516814685
Energy: 2.0182280358659765
Energy: 2.0716248127297683
Energy: 1.9595723474553601
Energy: 2.207064206929216
Energy: 1.994246141599423
Energy: 2.497365599226891
Energy: 2.0182279979168682
Energy: 2.071624820845587
Energy: 2.4959723840807064
Energy: 2.0324414125943613
Energy: 2.209208616358836
Energy: 1.9629752326746575
Energy: 2.0602642846943855
Energy: 2.105087494907751
Energy: 2.4959725671830744
Energy: 2.032441415602275
Energy: 2.2461690173846445
Energy: 1.9629752519857881
Energy: 2.0654627904824654
Energy: 2.1350904186669424
Energy: 2.123338889786874
Energy: 1.9889387455325522
Energy: 2.432576693014375
Energy: 2.0845885756088585
Energy: 2.0672940809223475
Energy: 2.135090429647516
Energy: 2.123338796673538
Energy: 1.9889387455325522
Energy: 2.183421092731777
Energy: 2.1623902984440257
Energy: 2.4493847929608386
Energy: 2.172512044011746
Energy: 2.092838305510646
Energy: 2.389688233690709
Energy: 2.141437477409188
Energy: 2.1623903040193446
Energy: 2.4493847928594157
Energy: 2.172512035523018
Energy: 2.4446369441984452
Energy: 2.2038382300915638
Energy: 2.0493501774931557
Energy: 2.179406840371311
Energy: 2.0367246236765575
Energy: 2.440335969793879
Energy: 2.4446369441984452
Energy: 2.2038852384172527
Energy: 2.0493501774891767
Energy: 2.1817735534090006
Energy: 2.4858801454240154
Energy: 2.101681153433925
Energy: 2.031810198482137
Energy: 2.048047345628477
Energy: 2.1852443093660785
Energy: 2.02675540398642
Energy: 2.4858939842669305
Energy: 2.1016812106514338
Energy: 2.0318101962558077
Energy: 2.0480473456274817
Energy: 2.0420794381621907
Energy: 2.1375064269606363
Energy: 2.3992435751703156
Energy: 1.9617302045559062
Energy: 2.3754822903073736
Energy: 2.1422806427395615
Energy: 2.0420744775208233
Energy: 2.1375064295499264
Energy: 2.3443089258754233
Energy: 1.961730204556901
Energy: 2.751780711549409
Energy: 2.1094399005912696
Energy: 2.2314102022661118
Energy: 2.015475779901961
Energy: 2.0442657847375068
Energy: 2.1178387624896815
Energy: 2.751780711549409
Energy: 2.109439900577342
Energy: 2.2314102039684602
Energy: 2.015475780047109
Energy: 2.0706775379122795
Energy: 2.3974074942752344
Energy: 2.0399819102962264
Energy: 2.2908642597832665
Energy: 2.061074112238312
Energy: 2.1782554857186662
Energy: 2.100833085748725
Energy: 2.429244305088924
Energy: 2.039981910399639
Energy: 2.2908641215059173

minimum gb energy = 1.9595723474553601 eV
minimum distance =  2.3269296153539 Angstroms
sigma value = 33