Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403441309929
cohesive_energy=3.892708434526503
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01467978400057846
Energy: 1.0858459107374463
Energy: 0.01467978400057846
Energy: 1.0858459107377525
Energy: 0.01467978400057846
Energy: 1.08584591073714
Energy: 1.0858459107377525
Energy: -0.14319634352855545
Energy: 1.0858459107374463
Energy: -0.14319634352974625
Energy: 1.0858459107383651
Energy: -0.14319634352824925
Energy: 0.01467978400057846
Energy: 1.085845910736562
Energy: 0.01467978400057846
Energy: 1.0858459107377525
Energy: 0.01467978400057846
Energy: 1.085845910736868
Energy: 1.0858459107377525
Energy: -0.14319634352855545
Energy: 1.0858459107374463
Energy: 0.24846020344123418
Energy: 1.085845910736868
Energy: 0.4463120771846213
Energy: 0.01467978400057846
Energy: 1.085845910736868
Energy: 0.01467978400057846
Energy: 1.08584591073714
Energy: 0.01467978400057846
Energy: 1.085845910736868
Energy: 1.0858459107374463
Energy: -0.14319634352824925
Energy: 1.085845910735643
Energy: 0.4463120787348655
Energy: 1.0858459107359493
Energy: 0.9367151655361161

minimum gb energy = -0.14319634352974625 eV
minimum distance =  2.44237265461439 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: -2.8548517719444324
Energy: -2.6909690451031754
Energy: -2.4936257593721147
Energy: -3.04641496386865
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Energy: 0.6277388933523832
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Energy: 0.627738892144096
Energy: -2.572602876693792
Energy: 0.6277388863244221
Energy: -2.528664988811523
Energy: 0.630494683443808
Energy: 0.5402183311938009
Energy: 0.6304946834334888
Energy: 0.5402183310457134
Energy: 0.630494683389297
Energy: 0.5402183309609819
Energy: 0.4804768809267883
Energy: 0.5308227627803214
Energy: 0.4804768809267883
Energy: 0.5308227626675807
Energy: 0.4804768809208917
Energy: 0.5308227625548732
Energy: -3.777971134085182
Energy: 0.545479923403948
Energy: -2.9276754888826964
Energy: 0.5454799233686012
Energy: -3.862680681552428
Energy: 0.54547992331925
Energy: 0.4656680037835915
Energy: -2.6035547550607467
Energy: 0.4656680037821173
Energy: -2.4677453094672543
Energy: 0.4656680037850658
Energy: -2.579927729263602
Energy: -2.832673248926857
Energy: -2.5805838161835206
Energy: -2.533915246561032
Energy: -2.673482236394539
Energy: -2.540899549339709
Energy: -3.551553040365858
Energy: 0.33600119312735394
Energy: -2.7050775757303116
Energy: 0.33600119312809107
Energy: -2.7225490833080075
Energy: 0.3360011931295652
Energy: -2.7086924180660943

minimum gb energy = -4.195395497970903 eV
minimum distance =  2.32488954473237 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -2.0577959972533204
Energy: -3.089743705885439
Energy: -2.2775283011990717
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Energy: -2.23724767115982
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Energy: -3.6309603484709303
Energy: 0.5592241379306992
Energy: -2.49655972487485
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Energy: 0.7302410567452337
Energy: -2.370889772412171
Energy: 0.7302408183294739
Energy: -2.1644653224580286
Energy: 0.729999348629222
Energy: -2.798415045301267
Energy: 0.5402849734345111
Energy: -2.761183397244155
Energy: 0.540284534424542
Energy: -1.9345188999636032
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Energy: -2.170859936255449
Energy: -2.777930760889383
Energy: 0.5397890221444701
Energy: -3.1650069831374688
Energy: 0.539789008277572
Energy: -3.059445300143226
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Energy: -2.385883360499785
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Energy: 0.5322590044347253
Energy: 0.44596775725403776
Energy: 0.5322590044338869
Energy: 0.44596775725026444

minimum gb energy = -3.9687448590742833 eV
minimum distance =  2.31322730660152 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.7106246050985332
Energy: 0.6590770732817383
Energy: 0.7106246050965905
Energy: 0.6590768904643785
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Energy: -1.499090436948094
Energy: 0.6310340458125866
Energy: -1.5740877928287915
Energy: 0.6310330464095012

minimum gb energy = -2.477251015104741 eV
minimum distance =  2.34563710477496 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

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Energy: 0.2430922473661507
Energy: 0.5164188607328759
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Energy: -1.632124670493449
Energy: 0.24217838490895927
Energy: -1.5005272227886113
Energy: 0.8501219894020606
Energy: 0.7414722616699112
Energy: 0.8501219892569348
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Energy: 0.8501219888865904
Energy: 0.741472261456819
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Energy: 0.24309224736384588
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Energy: 0.5364481180317584
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Energy: 0.24309224737018414
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Energy: 0.2430922473655745
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Energy: 0.7415711994270183
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Energy: 0.7402088784958115
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Energy: 0.3985006768234424
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Energy: 0.5140713389850649
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Energy: 0.5364809009421214
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Energy: 0.5364809009426976
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Energy: 0.24217838491068788
Energy: 0.7404835169306587
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Energy: -1.285540858838089
Energy: 0.24217838490953547
Energy: -1.28786887473719
Energy: 0.8501219893968748
Energy: 0.741472261656082
Energy: 0.850121989274221
Energy: 0.7414722615754654
Energy: 0.8501219888917763
Energy: 0.7414722614516331
Energy: 0.5164188607328759
Energy: 0.24309224736903176
Energy: 0.5164188607322997
Energy: 0.24309224736787935
Energy: 0.5164188607334522
Energy: 0.2430922473684555
Energy: 0.8499254171881715
Energy: 0.7415711993976579
Energy: 0.8499254171179004
Energy: 0.7415711993049147
Energy: 0.8499254169151801
Energy: 0.741571199207588
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Energy: 0.7402009645983474
Energy: 0.2424415990959413
Energy: -1.3254946990759635
Energy: 0.2424415990976699
Energy: -1.3601571486462625

minimum gb energy = -1.632124670493449 eV
minimum distance =  2.29023689098596 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.43406723675541986
Energy: 0.2621208535785063
Energy: 0.43406723675541986
Energy: 0.2621208535770949
Energy: 0.43406723675683134
Energy: 0.2621208535785063
Energy: -1.7239456572540188
Energy: 0.02722074903776527
Energy: -1.7991398291121043
Energy: 0.03441612936020008
Energy: -1.7272689169853979
Energy: 0.04286052826091258
Energy: 0.03469904236680663
Energy: 0.5814307243356212
Energy: 0.034699042365395213
Energy: 0.5814307243426783
Energy: 0.03469904236680663
Energy: 0.5814307243370325
Energy: -0.5961112069872775
Energy: 0.2429015637418309
Energy: -0.7846515744094249
Energy: 0.24290156373900804
Energy: -0.6134981942377381
Energy: 0.2429015637418309
Energy: -0.6285706610922658
Energy: 0.2359829588171634
Energy: -0.7086809949180027
Energy: 0.2359829588171634
Energy: -0.6327447900987355
Energy: 0.23598295882139764
Energy: -0.21509281075089284
Energy: 0.7264603401290981
Energy: -0.602815910214107
Energy: 0.7264583300237676
Energy: -0.6043625813662803
Energy: 0.7264568051675268
Energy: 0.03441312412230247
Energy: 0.026791233397927165
Energy: 0.0344131241251253
Energy: 0.03492328410259833
Energy: 0.03441312412371388
Energy: 0.034460974227694424
Energy: 0.4360447900426547
Energy: 0.25165108633676003
Energy: 0.43604479004124325
Energy: 0.25165108633534855
Energy: 0.43604479004124325
Energy: 0.2516510863381714
Energy: -0.395443716441426
Energy: 0.1572297493961663
Energy: -0.37276447618428554
Energy: 0.15722974939334347
Energy: -2.237224299028361
Energy: 0.1572297493961663
Energy: 0.2827402816049992
Energy: -1.2192997400077321
Energy: 0.2827402816064106
Energy: -1.2066742804402926
Energy: 0.2827402816049992
Energy: -1.1807035034696052
Energy: -1.896651618143245
Energy: 0.24608904666457868
Energy: -1.9110722285457353
Energy: 0.24608904666881293
Energy: -1.9132567824987365
Energy: 0.24608904666034445
Energy: -0.7909769353861053
Energy: -0.5066443234623418
Energy: -0.7920643085991419
Energy: -0.07190033656253828
Energy: -0.7302769923553912
Energy: -0.07150085827138983

minimum gb energy = -2.237224299028361 eV
minimum distance =  2.34379339754334 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.6046646363558974
Energy: -5.794580658106173
Energy: 0.6046646363547077
Energy: -4.311681435055757
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Energy: -6.036139137063678
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Energy: -2.984957627571052
Energy: -3.831643916963656
Energy: -3.0423323183334126
Energy: -3.099437455006249
Energy: -2.8997263488302796
Energy: -6.187097983264572
Energy: 0.3255303269574797
Energy: -4.7462065701547305
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Energy: -5.276443954320792
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Energy: -4.058710837732989
Energy: -5.0481254743865405
Energy: -4.544179488121204
Energy: -4.461519071737398
Energy: -3.6808851963844393
Energy: -4.946991089490227
Energy: -5.7125270554966905
Energy: -3.115903477570935
Energy: -3.7743415845482517
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Energy: -5.800695838347734
Energy: -6.035438595959916
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Energy: -6.5743007640302595
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Energy: -2.760370251565423
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Energy: -2.8321004679790716
Energy: -2.994836809954009
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Energy: -3.0327729112342934
Energy: -3.066146579397947
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Energy: -4.565748147310195
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Energy: -2.8060329720941484
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Energy: -2.797920720263029
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Energy: -4.854787933101222
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Energy: 0.2820000650721485
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Energy: 0.31593479447553585
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Energy: -5.935741163936532
Energy: -5.012547917109787
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Energy: -3.1193257753859864
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Energy: -3.6400514118136402
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Energy: -3.1215495865684373
Energy: -3.286686521418767
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Energy: -2.631561006613748
Energy: -4.460711828939441
Energy: -5.753637541536736
Energy: -2.6215060595477064
Energy: -4.176482182369207
Energy: -2.5720396813778392
Energy: -5.750975530841065
Energy: -2.5782261345597766
Energy: 0.6046646363499488
Energy: -5.670912213303325
Energy: 0.6046646363547077
Energy: -4.563261035264968
Energy: 0.6046646363543111
Energy: -5.0111763532587235
Energy: -5.686018906742654
Energy: 0.27173283338181387
Energy: -3.5969184003665595
Energy: 0.2717328333857796
Energy: -4.344147821353644
Energy: 0.27173283338221044
Energy: -3.6038771722147693
Energy: -2.6173847359294813
Energy: -2.7857006530734196
Energy: -3.323854648160352
Energy: -2.7469101415047468
Energy: -3.014864571459622
Energy: -5.1298403786121
Energy: 0.32553032695668654
Energy: -4.454138763128023
Energy: 0.32553032695668654
Energy: -3.3875678859182865
Energy: 0.3255303269598592
Energy: -4.242723489824752
Energy: -3.5609473366263282
Energy: -4.63962869319766
Energy: -4.9594451745572465
Energy: -3.5453050656241585
Energy: -2.7721926373145678

minimum gb energy = -6.5743007640302595 eV
minimum distance =  2.29343296308786 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.38771383354589606
Energy: 0.3926549984517756
Energy: 0.38771383354589606
Energy: 0.3926549984517756
Energy: 0.38771383354589606
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Energy: -0.5569516750076162
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Energy: -0.5582147520372888
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Energy: -0.5564857446831548
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Energy: 0.2886381247592166
Energy: 0.1695493319840131
Energy: 0.39274516015710076
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Energy: 0.16954933187482207
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Energy: 0.4475302200847682
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Energy: 0.4474518702782649
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Energy: 0.4474518702773621
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Energy: 0.16740590717182333
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Energy: 0.30250776269054025
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Energy: 0.28863457602818426
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Energy: -0.5521323395221027
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Energy: -0.5549421089135607
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Energy: -0.5601249058032167
Energy: 0.38771383354589606
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Energy: 0.39265499845087287
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Energy: -0.5577815695958854
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Energy: -0.5571076614906117
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Energy: -0.5565956706105226
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Energy: 0.28863812468523264
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Energy: 0.2886381246762052
Energy: 0.16954933194880606
Energy: 0.3927451601561981
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Energy: 0.3927451601561981
Energy: 0.1695493318071573
Energy: 0.3927451601561981
Energy: 0.4475302200847682
Energy: 0.44385607563537965
Energy: 0.4475302200847682
Energy: 0.44385607563628243
Energy: 0.4475302200865737
Energy: 0.44385607563628243
Energy: 0.13672851134023953
Energy: 0.41409902654023056
Energy: 0.13672851134204503
Energy: 0.41409902654023056
Energy: 0.13672851133843406
Energy: 0.41409902654023056
Energy: 0.13175180274808082
Energy: 0.41408181767581725
Energy: 0.13175180275981646
Energy: 0.41408181767581725
Energy: 0.13175180275078904
Energy: 0.4140818176749145
Energy: 0.4474518702773621
Energy: 0.4438250988130148
Energy: 0.4474518702773621
Energy: 0.4438250988139176
Energy: 0.4474518702773621
Energy: 0.4438250988130148

minimum gb energy = -0.5601249058032167 eV
minimum distance =  2.47305047270241 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: -2.848101458666427
Energy: 0.3014477172210867
Energy: -2.714771635240091
Energy: 0.3014477123086932
Energy: -2.9432120582104075
Energy: 0.30144771926419517
Energy: -3.6678542969216665
Energy: -3.241038889484049
Energy: -3.7665209554937187
Energy: -3.137336557493635
Energy: -3.7032621091864186
Energy: -3.2083215717303797
Energy: -3.4936790459768474
Energy: -3.429689897008834
Energy: -3.6615946465602773
Energy: -3.8199581789633856
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minimum gb energy = -4.459712797042988 eV
minimum distance =  2.31776937811936 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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minimum gb energy = -3.315607547963486 eV
minimum distance =  2.33132092322718 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: 0.1445827220517619
Energy: -2.4111115451498595
Energy: 0.15336934968156543

minimum gb energy = -6.459710061801266 eV
minimum distance =  2.40141616851946 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.0812014260574316
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Energy: 0.0812014260574316
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Energy: -0.4985953908884838
Energy: 0.40306219169460333
Energy: -0.03551531515541797
Energy: 0.4030621916999927

minimum gb energy = -0.6100257129039192 eV
minimum distance =  2.41808449808417 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -5.708876112672016 eV
minimum distance =  2.33322356124863 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -0.13138341321420433
Energy: -1.5408409069462259
Energy: -2.4108398183171347
Energy: -0.9382805983842196
Energy: -2.4108393207030696
Energy: -0.9398902047283173
Energy: -2.4108389188368364
Energy: -2.53934448072046
Energy: -3.670567414682828
Energy: -2.5393444734844155
Energy: -3.670567413190899
Energy: -2.5393444737751394
Energy: -3.6705674126573937
Energy: -2.4670620508386234
Energy: -0.6945238497309149
Energy: -2.4670620517263173
Energy: -3.052894890265415
Energy: -2.4670620520667677
Energy: -0.6945238497300016

minimum gb energy = -3.8260906552924507 eV
minimum distance =  2.39963703480165 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -0.14386140243581685
Energy: -0.458272488100175
Energy: -0.14386140243301263
Energy: -0.4582724881018575
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Energy: -0.3763334553316629
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Energy: -0.5378782452853288
Energy: -0.3763334553333454
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Energy: -0.9688922958383943
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Energy: -0.47921450913398395
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Energy: -0.5507911827453663
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Energy: -0.5006724698140893
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Energy: -0.7723223618070955
Energy: -0.3817501093074775
Energy: -0.6868436410683912
Energy: -0.3817501093153292
Energy: -0.6914842039748936
Energy: -0.8173625333282802
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Energy: -0.8539154925883539
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Energy: -0.29179678738996534
Energy: -0.8724916955199206
Energy: -0.2917967873922087
Energy: -0.8673142809281864
Energy: -0.2917967873916479
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Energy: -0.39401349614371034
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Energy: -0.394013472100549
Energy: -0.8004899248397482
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Energy: -2.2617358874084585
Energy: -0.3797652769663077
Energy: -2.485306155230365
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Energy: -0.5031195662284599
Energy: -0.6022939304680418
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Energy: -0.9628296973311622
Energy: -0.30921488135935327
Energy: -0.9562557124905448
Energy: -0.3092148938728539
Energy: -0.9559016224946711
Energy: -0.6978592321772278
Energy: -0.3309556538785038
Energy: -0.6978592321721803
Energy: -0.33095565536799143
Energy: -0.6978592321946139
Energy: -0.33095565407696453
Energy: -1.061285995975077
Energy: -0.38517074021515757
Energy: -1.1847545442595933
Energy: -0.38517074021403586
Energy: -1.957061259318512
Energy: -0.3851707402112317
Energy: -0.3510034486987157
Energy: -0.5209008228545206
Energy: -0.3510034486914503
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Energy: -0.5209008228483514
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Energy: -0.6431441179542343
Energy: -0.2940493599464098
Energy: -0.643144116406445
Energy: -0.2940493597238585
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Energy: -0.8570690785899229
Energy: -0.4891001645263838
Energy: -0.8547022439046755
Energy: -0.4891001619067537
Energy: -0.8537236455883863
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Energy: -0.5021649476348485
Energy: -0.6791329245911318
Energy: -0.49026146304144186
Energy: -0.679132924590571
Energy: -0.49135129692430396
Energy: -0.6791329245911318
Energy: -0.3512577067547322
Energy: -0.671260183138182
Energy: -0.35125770675977974
Energy: -0.6749279471789292
Energy: -0.3512577067698494
Energy: -0.6658145179763808
Energy: -0.31878208511226397
Energy: -0.42369667672476746
Energy: -0.31878208510609474
Energy: -0.42369667673037587
Energy: -0.3187820851038514
Energy: -0.42369667673205835
Energy: -0.5715523507225759
Energy: -0.36465985752401
Energy: -0.5526460286604
Energy: -0.3646598575279359
Energy: -0.5544566885954879
Energy: -0.3646598575251317

minimum gb energy = -3.080324977708794 eV
minimum distance =  2.39599765019565 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -0.6487099816147246
Energy: -1.1817752872969336
Energy: -0.6483203268395181
Energy: -1.178549188941106
Energy: -0.6471909125219293
Energy: -1.1765532063516038
Energy: -0.8357271125326511
Energy: -1.1845514367254009
Energy: -0.8440386857959349
Energy: -1.181293893600525
Energy: -0.9242207240987025
Energy: -1.1859826135693474
Energy: -1.4568809861235663
Energy: -0.6593670350068621
Energy: -1.4576329926904703
Energy: -0.6587540033567023
Energy: -1.463079282695976
Energy: -0.6572342727617659
Energy: -0.6324558080134123
Energy: -1.1348888527564067
Energy: -0.6273479495459853
Energy: -1.141283849876056
Energy: -0.6277721820271924
Energy: -1.1355966142510758
Energy: -1.0393054569564097
Energy: -1.1537421293284797
Energy: -1.0757678902199146
Energy: -1.1525150293173367
Energy: -1.1839989264370665
Energy: -1.151951200380097
Energy: -1.4378426842874792
Energy: -1.1656053902388122
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Energy: -1.1630390486930315
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Energy: -0.7924975498606854
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Energy: -0.6725014172981552
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Energy: -1.18423977104727
Energy: -1.2037380311862018
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Energy: -1.1833159079822941
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Energy: -0.9821174509095092
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Energy: -0.9821174161597108
Energy: -1.1787887133756791
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Energy: -1.7193256733683455
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Energy: -1.194043728837997
Energy: -1.6966959452619639
Energy: -1.1938833605040378
Energy: -1.696695945258333
Energy: -1.1963972179320295
Energy: -1.6966959452597854
Energy: -1.7096814213642186
Energy: -0.9357644654192174
Energy: -1.7288692061593796
Energy: -0.9022004268073369
Energy: -1.7098400777675227
Energy: -0.9020049614154001
Energy: -0.9558727771250246
Energy: -1.1798414176831804
Energy: -0.9558727773188452
Energy: -1.1801902582576809
Energy: -0.9558727771780348
Energy: -1.168968105030994
Energy: -1.1832827656746268
Energy: -1.1725895644265107
Energy: -1.1503449997236204
Energy: -1.1729579342162564
Energy: -1.1526172626197855
Energy: -1.1719339877897
Energy: -1.0401450148676106
Energy: -1.4616438081768501
Energy: -1.089671564259793
Energy: -1.465511989336994
Energy: -1.0886836742625765
Energy: -1.462515317497357
Energy: -2.428276104973648
Energy: -1.1942116205601108
Energy: -1.5579217260667535
Energy: -1.1934257855533645
Energy: -1.557872946651177
Energy: -1.2000024597500445
Energy: -1.0825713090146025
Energy: -1.1911471612918367
Energy: -1.0828253345043364
Energy: -1.2256024013988078
Energy: -1.0484546902613123
Energy: -1.2214131819845062

minimum gb energy = -2.428276104973648 eV
minimum distance =  2.37596427402004 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -1.3554209276265636
Energy: -1.3829364885091022
Energy: -1.3554209276214289
Energy: -1.382936488519372
Energy: -1.3554209276542448
Energy: -1.3829364885152642
Energy: -1.4957447275633016
Energy: -1.4238053252814868
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Energy: -1.9432871559202949
Energy: -1.9513834302438142
Energy: -1.9432872952223856
Energy: -1.966727530091606
Energy: -1.9432872112404136
Energy: -1.9687043795437285
Energy: -1.8487962766723778
Energy: -1.8163628435654497
Energy: -1.848724526003348
Energy: -1.6840415661478003
Energy: -1.8487525303208776
Energy: -1.817277355653779
Energy: -1.6104969854891018
Energy: -1.4293953676706275
Energy: -1.5346937414535124
Energy: -1.4293953609952785
Energy: -1.6184079127183257
Energy: -1.4293951311723576
Energy: -1.355165338722738
Energy: -1.4812168912111525
Energy: -1.354075418487136
Energy: -1.4812168914359625
Energy: -1.4135435118495683
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Energy: -1.4436229212993363
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Energy: -1.6544351069473844
Energy: -1.401343256917105
Energy: -1.979115121126028
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Energy: -2.0912535905835754
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Energy: -1.849685507724306
Energy: -1.5515295772079383
Energy: -1.8496854087646115
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Energy: -1.354271796253671
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Energy: -1.967628865540847
Energy: -1.849995431724369
Energy: -2.007664060221673
Energy: -1.821916790320414
Energy: -1.9962455527510075
Energy: -1.7997658050339853
Energy: -2.0222694650025637
Energy: -1.7708262736150713
Energy: -1.3147328373428862
Energy: -1.781833957579061
Energy: -1.3147328304612125
Energy: -1.774502721749738
Energy: -1.3147328395508866
Energy: -1.3933628260166224
Energy: -2.0958986701970215
Energy: -1.3933628261459257
Energy: -2.095898670330432
Energy: -1.3933628262732214
Energy: -2.0958986704125886

minimum gb energy = -2.0958986704125886 eV
minimum distance =  2.38630247130964 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -2.4063543075052185
Energy: -2.270892452534743
Energy: -2.4063550785863703
Energy: -2.2708924500378442
Energy: -2.40635431175735
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Energy: -3.3011923529354488
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Energy: -2.749573226272423
Energy: -2.331928595992339
Energy: -2.7495732262755954
Energy: -2.331928596003443
Energy: -2.4063523961836477
Energy: -2.2708924553242036
Energy: -2.406353278149816
Energy: -2.2708924546071265
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Energy: -2.6905244231261163
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Energy: -2.69052444462472
Energy: -2.52910500779278
Energy: -2.6912883250459037
Energy: -2.53286997629087
Energy: -2.656160974211355
Energy: -2.534356770990435
Energy: -2.6570268779686708
Energy: -2.5346733992032835
Energy: -2.5466721086438615
Energy: -2.7034332283229072
Energy: -2.5466721085431683
Energy: -2.741908079430823
Energy: -2.5466721086188775
Energy: -2.57561630134485
Energy: -3.3363125629797743
Energy: -2.1185958724508303
Energy: -3.060827930257465
Energy: -2.1185958725063507
Energy: -2.452526898622837
Energy: -2.118595872458365

minimum gb energy = -3.7751444650766643 eV
minimum distance =  2.37971245038754 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: -3.1517134678152514
Energy: -3.2903604983742647
Energy: -3.1517133453081936
Energy: -3.290360498422635
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Energy: -3.541913801368819
Energy: -3.271854944159839
Energy: -3.2071842365257597
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Energy: -3.0430090985146823
Energy: -3.998997487849996
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Energy: -3.975443056855921
Energy: -3.320121045899496
Energy: -3.9754430581880924
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Energy: -4.206444331700239
Energy: -3.53504607233385
Energy: -4.24058419361991
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Energy: -3.392326659178545
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Energy: -3.7532343213080237
Energy: -3.4562068969359174
Energy: -3.026329068103374
Energy: -3.7070166729466156
Energy: -3.026328933437714
Energy: -3.6945147152057376
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Energy: -3.7277172212625644
Energy: -3.728747583683543
Energy: -3.8262769187821006
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Energy: -3.667238799207476
Energy: -3.728747247599304
Energy: -3.6261420963178903
Energy: -3.561887149434043
Energy: -3.5729504667162324
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Energy: -3.40290992262759
Energy: -3.8382070999670366
Energy: -3.091001700238709
Energy: -3.8423153526353424
Energy: -3.01190424374045
Energy: -3.849849074924419
Energy: -3.0706842852201746
Energy: -3.8733918556585776
Energy: -2.942585884210919
Energy: -3.853516653370716
Energy: -2.974380979008662
Energy: -3.7296417070201704
Energy: -2.9580968018036944
Energy: -3.050065275152384
Energy: -3.938071211684531
Energy: -3.0500652760005034
Energy: -3.9380698479143295
Energy: -3.050065277785087
Energy: -3.938068605440409
Energy: -3.474891515611249
Energy: -3.169102171347518
Energy: -3.5569039980373782
Energy: -3.1691021880344707
Energy: -3.4934334800743017
Energy: -3.1691021690259333
Energy: -3.7125822197078877
Energy: -3.5317689680394886
Energy: -3.587138337024287
Energy: -3.736818432635586
Energy: -3.5932990290744513
Energy: -3.682437402584868
Energy: -3.5322612949157066
Energy: -4.236500226414793
Energy: -3.532261297364498
Energy: -4.092479882897032
Energy: -3.532261297025614
Energy: -4.234099278803054
Energy: -3.3816359963546785
Energy: -2.945937369331127
Energy: -3.5595282057604933
Energy: -2.94593736940016
Energy: -3.3908905508686207
Energy: -2.9459373694531084

minimum gb energy = -4.24058419361991 eV
minimum distance =  2.37401791297529 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: -1.9894303824032782
Energy: -2.5216439329213713
Energy: -1.9894303840703305
Energy: -2.521643932951952
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Energy: -2.0158004408062133
Energy: -2.125230771399385
Energy: -2.015926505785028
Energy: -2.3605333800741737
Energy: -2.01608633427584
Energy: -2.398910273223561
Energy: -2.635802658696368
Energy: -2.414085740614541
Energy: -2.6358026586695513
Energy: -2.407557267722708
Energy: -2.6358026585599745
Energy: -2.454166975173506
Energy: -2.5701030591035234
Energy: -2.3934799905842263
Energy: -2.5931915407026698
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Energy: -2.5781458303873444
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Energy: -2.394112102698646
Energy: -2.0961375640067894
Energy: -2.394112213263079
Energy: -2.0349668563975496
Energy: -2.3941126093710476
Energy: -2.038740928669451
Energy: -2.065827730916495
Energy: -2.6853528646513367
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Energy: -1.8391522956284516
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Energy: -2.814902971005925
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Energy: -2.4245311634085205
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Energy: -2.101787126189571
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Energy: -2.071456372904599
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Energy: -2.8169720183885767
Energy: -2.3836087016236154
Energy: -2.1934003057790785
Energy: -2.3549181510889685
Energy: -1.981066177684747
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Energy: -2.3799754563123714
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Energy: -2.3799754577462404
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Energy: -2.642245325022172
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Energy: -2.57208087288588
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Energy: -2.857828289594297
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Energy: -2.4419083227252707
Energy: -2.545296148739636
Energy: -3.1728566297749072
Energy: -2.545296150338042
Energy: -3.172856575565837
Energy: -2.5452961480836276
Energy: -3.172856595654036
Energy: -2.888267050893325
Energy: -2.6737036084774646
Energy: -2.9161734286730994
Energy: -2.673703607123105
Energy: -2.8340987737320043
Energy: -2.6737036074236076
Energy: -2.6816490383919125
Energy: -2.639613806899205
Energy: -2.73665714592914
Energy: -2.639613806905321
Energy: -2.7521339122295623
Energy: -2.6396138068564343
Energy: -2.4701419136634004
Energy: -3.1892203520374034
Energy: -2.4681936485698954
Energy: -3.1840171463538325
Energy: -2.4295005448857037
Energy: -3.260068309392861
Energy: -2.830411674296551
Energy: -2.633363465720618
Energy: -2.819520880991904
Energy: -2.633363465677848
Energy: -2.8303459794750814
Energy: -2.6333634656862737

minimum gb energy = -3.260068309392861 eV
minimum distance =  2.37353040461606 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.30929371074551326
Energy: -0.10559558835778833
Energy: 0.004181534166353607
Energy: -0.10559540813030943
Energy: 0.30929371074551326
Energy: -0.10559530121578588
Energy: 0.9315706928295158
Energy: -0.10665176168457403
Energy: 0.9315706928295158
Energy: -0.10665176168630265
Energy: 0.9315706928295158
Energy: -0.10665176168457403
Energy: -2.3014420707235606
Energy: -0.10641911117012945
Energy: -2.2189147001823937
Energy: -0.10641911117012945
Energy: -2.8653597258208223
Energy: -0.10641911117012945
Energy: 0.004181534166353607
Energy: -0.10559555703694207
Energy: 0.004181534166353607
Energy: -0.1055954127125754
Energy: 0.004181534166353607
Energy: -0.10559525966950443
Energy: 0.9315706928295158
Energy: -0.10665176168457403
Energy: 0.9315706928295158
Energy: -0.10665176168630265
Energy: 0.9315706928295158
Energy: -0.10665176168630265
Energy: -2.209993979137794
Energy: -0.10641911117012945
Energy: -2.3069501687981893
Energy: -0.10641911117185808
Energy: -2.2562953163747603
Energy: -0.10641911117185808
Energy: 0.30929371074551326
Energy: -0.10559560655036952
Energy: 0.004181534166353607
Energy: -0.10559541788233755
Energy: 0.30929371074551326
Energy: -0.10559529288232887
Energy: 0.9315706928295158
Energy: -0.10665176168457403
Energy: 0.9315706928312444
Energy: -0.10665176168457403
Energy: 0.9315706928295158
Energy: -0.10665176168457403
Energy: -2.8321080715113753
Energy: -0.10641911117012945
Energy: -2.255410185034867
Energy: -0.10641911117012945
Energy: -2.2743118686210386
Energy: -0.10641911117012945
Energy: 0.004181534166353607
Energy: -0.10559560499358712
Energy: 0.004181534166353607
Energy: -0.10559541931300902
Energy: 0.004181534166353607
Energy: -0.10559521667180807

minimum gb energy = -2.8653597258208223 eV
minimum distance =  2.41459905406141 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -1.3762494145164836
Energy: -1.1320107720938557
Energy: -1.3762602280766247
Energy: -1.1535857260173414
Energy: -1.372704394863264
Energy: -1.2075873946185502
Energy: -1.094937887629535
Energy: -2.9488050221390343
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Energy: -5.0755478002341174
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Energy: -4.983125430462029
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Energy: -0.9963566162746428
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Energy: -0.9811209182021542
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Energy: -3.2369882119076885
Energy: -0.983992103846936
Energy: -3.280902667661026
Energy: -1.0653170852730185

minimum gb energy = -5.0755478002341174 eV
minimum distance =  2.30058526002501 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -4.452715464030509
Energy: -1.7984053981713168
Energy: -3.8624511945050277
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Energy: -6.89187034863297
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Energy: -6.511104070945111
Energy: -1.7932137718784047
Energy: -7.035866150729129
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Energy: -7.16212377806873
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Energy: -7.760732198154426
Energy: -1.990942664767946
Energy: -7.263495872294535
Energy: -1.9909822024441486
Energy: -7.7505780758882326

minimum gb energy = -8.22469090209128 eV
minimum distance =  2.40693182249131 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: -3.6503539302204833
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Energy: -3.513324743905583
Energy: -3.7581055989732186
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Energy: -0.6009018126955574
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Energy: -4.9007374274696645
Energy: -0.6211869972607685
Energy: -4.9011831316415595
Energy: -0.6211876659772946

minimum gb energy = -5.6203815873409155 eV
minimum distance =  2.3267231016743 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

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Energy: -0.7557731526055457
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Energy: -3.3385503916200996
Energy: -0.6321526622313088
Energy: -2.641610501298624
Energy: -0.6321131644780977
Energy: -2.7355405561851778
Energy: -0.6322927793764227
Energy: -2.0429473393225477
Energy: -0.4030235139735793
Energy: -1.389501695533934
Energy: -0.40302517702562396
Energy: -1.3902574472893416
Energy: -0.4030224847889261
Energy: -1.3900602209952773
Energy: -1.5596863415522362
Energy: -0.8598604790590167
Energy: -4.042026761273032
Energy: -0.8579263248237158
Energy: -3.9254401215503805
Energy: -0.8808339855029814
Energy: -2.9381852126659416
Energy: -0.3575188172787665
Energy: -2.9266062706866722
Energy: -0.35746658128156134
Energy: -2.9569704271016675
Energy: -0.357466016212853
Energy: -3.9112029613577417
Energy: -1.3354900131878698
Energy: -3.697948300144017
Energy: -1.3354900783879604
Energy: -3.803340363243653
Energy: -1.3354901402956854
Energy: -0.6937743178558383
Energy: -1.3963485971100424
Energy: -0.7211782041905747
Energy: -1.3963378420484616
Energy: -0.6891730895512723
Energy: -1.3963436339978903
Energy: -1.6240169081390337
Energy: -2.4723747178600495
Energy: -1.6533827972817428
Energy: -2.2189547710329993
Energy: -1.6107364909822588
Energy: -2.4351074571113775
Energy: -1.5494880488813279
Energy: -1.3879097175046795
Energy: -1.6133591158931058
Energy: -1.4049434169748192
Energy: -1.3562566320062899
Energy: -1.4133348762576614

minimum gb energy = -4.1984581706076405 eV
minimum distance =  2.39447196067649 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -0.10450844894626324
Energy: -2.143064109690316
Energy: -0.10450944144195348
Energy: -2.02992997651891
Energy: -0.10450923621986476
Energy: -2.028863345227344
Energy: -0.854897691384404
Energy: -2.2912960958657203
Energy: -1.7670769630347287
Energy: -2.103077091792135
Energy: -1.9775506424177334
Energy: -1.4031016046030986
Energy: -1.8623203319169988
Energy: -0.31107358893437437
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Energy: -0.3111094689405419
Energy: -1.8545878680010854
Energy: -0.3111509102673906
Energy: -1.6528409268910538
Energy: -2.0252154724170865
Energy: -2.2531092640828034
Energy: -1.8737104831490914
Energy: -1.8542411576207505
Energy: -2.0250115104393958
Energy: -2.073965305686823
Energy: -2.2272523383534812
Energy: -2.307642220729693
Energy: -2.839564627316114
Energy: -2.2435354627888215
Energy: -1.8628347148899687
Energy: -1.3823217665602694
Energy: -2.4466784877151424
Energy: -1.0149088469165894
Energy: -2.907849121788149
Energy: -1.9073294359546697
Energy: -3.3202618528074734
Energy: -2.2665072956144448
Energy: -3.037590124046289
Energy: -1.9662105820008091
Energy: -3.036190115940613
Energy: -2.0211486723564382
Energy: -3.114738075095382
Energy: -1.7124974723771622
Energy: -0.3965147003824996
Energy: -1.8146345399498005
Energy: -0.397047520279393
Energy: -2.2893449907753833
Energy: -0.4017926064818486
Energy: -0.2941187347495589
Energy: -0.3496119014904543
Energy: -2.737296049954944
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Energy: -1.6543439557154056
Energy: -2.14221212467556
Energy: -0.9888332290695475
Energy: -1.823550058095631
Energy: -1.5646066540183046
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Energy: -1.9074076167997531
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Energy: -1.9033378033293247
Energy: -1.603087474575552
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Energy: -1.8590514001857048
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Energy: -1.9351250156018855
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Energy: -2.050954584497726
Energy: -2.6814672717515418
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Energy: -1.6021303008800585
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Energy: -2.3762710217470167
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Energy: -2.5744600777157793
Energy: -2.6742982434200955
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Energy: -1.7575160260567382
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Energy: -1.6581707995550896
Energy: -2.9086339035334214
Energy: -1.5835001203446952
Energy: -2.7166063233736635
Energy: -1.600766771387431
Energy: -2.8074180276157734
Energy: -1.5035985699831111
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Energy: -1.8229964895835218
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Energy: -1.6848422943358845
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Energy: -1.6995475147529202
Energy: -1.5536166966626879
Energy: -1.6351168924547017
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Energy: -1.4549220145861173
Energy: -3.1414714894060114
Energy: -3.0801721622523397
Energy: -2.3696491097579764
Energy: -2.8107194988900606
Energy: -2.468364670776537
Energy: -2.7408430348290675
Energy: -2.6383395071594427
Energy: -2.0407074887756225
Energy: -2.124569467457667
Energy: -1.8344293829805665
Energy: -1.9784369602558043
Energy: -2.19251443801458
Energy: -1.9857328832345027
Energy: -2.339930823016863
Energy: -2.3109583272798013
Energy: -2.505890133341534
Energy: -2.2699518313132883
Energy: -1.291794544685145
Energy: -2.161178281549403
Energy: -2.8100184497709284
Energy: -2.3005041486774194
Energy: -2.7224239457484884
Energy: -1.5590216916170518
Energy: -3.446552210963196
Energy: -1.4426008618640644
Energy: -3.3035810742103484
Energy: -2.387534872825389
Energy: -2.4162687594987844
Energy: -2.09317544728276
Energy: -1.0409955558995827
Energy: -1.4379590804505356
Energy: -1.3333081571032812
Energy: -1.657869616200021
Energy: -1.8818862538025924
Energy: -2.224809778168929
Energy: -3.7198294594185386
Energy: -2.35335901687017
Energy: -3.022082937573413
Energy: -2.267796930581241

minimum gb energy = -3.7198294594185386 eV
minimum distance =  2.27798637442156 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: -0.2230730308793816
Energy: -1.3183794748582187
Energy: -0.5700244773633242
Energy: -1.3223601381054835
Energy: -0.5796758745896188
Energy: -1.3159328433545072
Energy: -0.8050024972449363
Energy: -1.4406465617458328
Energy: -1.1855516084623356
Energy: -1.3840088950001244
Energy: -1.2146745721054155
Energy: -1.3317531326463794
Energy: -0.809029285219224
Energy: -1.6822371638810085
Energy: -1.0127106425295624
Energy: -1.658207385580384
Energy: -1.182610899247291
Energy: -1.6955900924402676
Energy: 0.6513961013706601
Energy: -2.7229040145337056
Energy: 0.6513961013776461
Energy: -1.8876709681666233
Energy: 0.6513961013606798
Energy: -2.1119539337512245
Energy: -3.9385927819278335
Energy: -1.6887926511428795
Energy: -0.778757918023509
Energy: -1.685541031514708
Energy: -1.0296972066310872
Energy: -1.661064801470992
Energy: -0.7749842509729018
Energy: -2.155626561108431
Energy: -0.7962942626131155
Energy: -1.1409885383009921
Energy: -0.8227193269656395
Energy: -1.128911672456207
Energy: -0.1914505792064665
Energy: -3.440831775066954
Energy: -0.21026620756523057
Energy: -1.291235357165496
Energy: -0.5806694091683421
Energy: -1.3155460225251485
Energy: -0.8126039634543428
Energy: -1.6545677961593601
Energy: -1.2117654091890175
Energy: -1.235793356058903
Energy: -0.9842451772492914
Energy: -1.2080728314556783
Energy: -0.8294797567322697
Energy: -1.7049655381765534
Energy: -1.0685945651488782
Energy: -1.655538568211617
Energy: -1.0529498237239898
Energy: -1.6651878740016715
Energy: 0.6513961013616779
Energy: -1.0997186468407576
Energy: 0.6513961013606798
Energy: -1.7681561830321022
Energy: 0.651396101369662
Energy: -1.4534127754984725
Energy: -1.0234752581046842
Energy: -1.699432016800837
Energy: -0.8553443693072743
Energy: -1.682047258825243
Energy: -1.1110037692743848
Energy: -1.6897130716732232
Energy: -0.7838747231072735
Energy: -1.71049138256762
Energy: -0.8244909342790094
Energy: -1.646462882232382
Energy: -0.8166667975183205
Energy: -1.0426403104908355
Energy: -0.1937742817570058
Energy: -1.3154004799529357
Energy: -0.24122274855436246
Energy: -1.2753444490180448
Energy: -0.5955208552950487
Energy: -1.3183667295073167
Energy: -0.8276805917045639
Energy: -1.5028307539949162
Energy: -1.1006853004538197
Energy: -1.2064284404084664
Energy: -1.1096999395187683
Energy: -1.207785866225659
Energy: -1.0126541503094557
Energy: -1.7086099460849307
Energy: -0.8354080195970582
Energy: -1.6612207874200067
Energy: -0.8119476955740723
Energy: -1.6569200546178156
Energy: 0.651396101368664
Energy: -1.7238119754452552
Energy: 0.6513961013626759
Energy: -1.2223710520297908
Energy: 0.6513961013766483
Energy: -1.5421041636903898
Energy: -0.8287915965574455
Energy: -1.6839400958144184
Energy: -0.8387685776356725
Energy: -1.7151838638369155
Energy: -1.0403167599378669
Energy: -1.6828736090602596

minimum gb energy = -3.9385927819278335 eV
minimum distance =  2.39449824077168 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -2.1375643004389744
Energy: -2.412160923259366
Energy: -2.4630805191411453
Energy: -2.6300456424770897
Energy: -2.53622352925268
Energy: -3.134433131212296
Energy: -2.297191852985192
Energy: -2.607849600441595
Energy: -2.3586214155930554
Energy: -2.5963100680968973
Energy: -2.5574417826052036
Energy: -2.574840241664322
Energy: -2.463399401781629
Energy: -2.268888822950489
Energy: -3.2020750547717713
Energy: -2.3923127195424754
Energy: -3.281603911074181
Energy: -2.0653207207890545
Energy: -2.905405128963809
Energy: -2.3633754006553547
Energy: -2.9534525152633404
Energy: -2.3563560325952237
Energy: -3.142277557226669
Energy: -2.263086456679686
Energy: -2.088165224669738
Energy: -4.330303702912408
Energy: -2.7284771378956747
Energy: -1.7523354489450047
Energy: -1.8539356642430425
Energy: -3.455745694973853
Energy: -3.494277801453229
Energy: -2.0997211519388106
Energy: -2.7199603275982787
Energy: -1.8369310257055367
Energy: -2.850189805425239
Energy: -1.6909087112679941
Energy: -2.243328495862907
Energy: -2.50086705642969
Energy: -4.273928277701568
Energy: -2.50493098080946
Energy: -2.4753402940125064
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Energy: -1.7502796864764207
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Energy: -2.64986117779781
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Energy: -2.5530043601074275
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Energy: -2.4461157200499533
Energy: -2.137317662429286
Energy: -2.19899349158275
Energy: -2.5080457869616755
Energy: -2.3225278231608617
Energy: -2.71314803537076
Energy: -2.316433946918652
Energy: -2.3814666225913945
Energy: -1.964770924302304
Energy: -2.4956963218934893
Energy: -3.002546589781468
Energy: -2.6790369160980347
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Energy: -1.9436504920649038
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Energy: -1.7436448827188284
Energy: -1.7298935159570352
Energy: -1.7890704729402769
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Energy: -1.8953668409412683
Energy: -1.4336902143157593
Energy: -1.8888346865826613
Energy: -1.7949804200248736
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Energy: -2.3132238418020488
Energy: -2.962108655630956
Energy: -1.902509490837214
Energy: -2.236145955568595
Energy: -2.0988264861133477
Energy: -2.200488399166971
Energy: -2.380559263719627
Energy: -2.1220763192033147
Energy: -2.2828352799562253
Energy: -2.3015084704902553
Energy: -2.418226949696519
Energy: -1.95234083666361
Energy: -2.0933462602107147
Energy: -2.267953922189642
Energy: -2.281935713633532
Energy: -2.2115912565526803
Energy: -2.011887025850769
Energy: -3.476301114411661
Energy: -1.9786544007683657
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Energy: -1.6863733367897917
Energy: -2.112628998953425
Energy: -3.369965717391555
Energy: -2.0502256523775593
Energy: -3.4423354365910583
Energy: -2.0661038615567633
Energy: -3.3784049731596544

minimum gb energy = -4.362018502602277 eV
minimum distance =  2.26671261527163 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.9397399396649657
Energy: 0.8148005352393946
Energy: 0.939739939669087
Energy: 0.8148005352400813
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Energy: 0.9397399396663394
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Energy: 0.8658376809838185
Energy: 0.8849674356984416
Energy: 0.8658376809838185
Energy: 0.8849674356984416
Energy: 0.8658376809851922
Energy: 0.884967435696381
Energy: 0.7524604380920678
Energy: -1.808463941687682
Energy: 0.7524604380851989
Energy: -1.8084639423063154
Energy: 0.7524604380879465
Energy: -1.8084639427566938
Energy: -1.7919665953006785
Energy: 0.7550782736866246
Energy: -1.7919665951489394
Energy: 0.7550782736893722
Energy: -1.7919665957414401
Energy: 0.7550782736852508
Energy: 0.8824560565082924
Energy: 0.7403580185123804
Energy: 0.8824560565076055
Energy: 0.7403580185254313
Energy: 0.8824560565076055
Energy: 0.7403580185261183
Energy: 0.87150829011711
Energy: -1.8396296206751614
Energy: 0.87150829011711
Energy: -1.8396295713134654
Energy: 0.87150829011711
Energy: -1.8396295465286165

minimum gb energy = -2.1046492861889115 eV
minimum distance =  2.25212128833747 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: -0.9308404759119265
Energy: -1.0092022259127655
Energy: -0.8254097887249234
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Energy: -1.055740630959174
Energy: -1.4975655922290652
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Energy: -1.5286572657511728
Energy: -1.5638638395965292
Energy: -1.8761156756589474
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Energy: -1.8836654046108767
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Energy: -1.95741153168644
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Energy: -1.094471403922448
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Energy: -0.9945192879922952
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Energy: -1.0361273195331915
Energy: -1.5304555256798567
Energy: -1.350333949948052
Energy: -1.4791355442414915
Energy: -1.1538999635444604
Energy: -1.2857151699115008
Energy: -1.1108159301101335
Energy: -1.2922026707086693
Energy: -1.0008141853980967
Energy: -1.2532846794345438
Energy: -1.4473967588514396
Energy: -1.5811820326841144
Energy: -1.1586688783790204
Energy: -1.5588636018913122
Energy: -1.0125357233612595
Energy: -1.3345353501780277
Energy: -1.5486249102685252
Energy: -1.243412822070365
Energy: -1.3177716151334051
Energy: -1.1990786900806027
Energy: -1.4388393353300593
Energy: -1.5000057610255726
Energy: -1.635247905354334
Energy: -1.384941773139613
Energy: -1.5040549609886067
Energy: -1.387978530100357
Energy: -1.2794276727134741
Energy: -0.9731089629147779
Energy: -1.109865768291875
Energy: -1.0331869621166925
Energy: -1.2212935339879183
Energy: -1.2364051837423982
Energy: -1.3610685874961903
Energy: -1.3218939191466337
Energy: -1.4588497328806738
Energy: -0.7431727604638657
Energy: -1.3174091058280688
Energy: -1.2070358160391947

minimum gb energy = -2.3107915135455466 eV
minimum distance =  2.31139584570017 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: -1.2508114814376516
Energy: 0.24481687409613961
Energy: -1.2406237302297498
Energy: 0.24577295038311625
Energy: -1.2409450835778337
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Energy: -3.708730558039235
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Energy: -1.3107394357515383
Energy: -3.1668053765257262
Energy: -1.2649148955210778
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Energy: -1.2357896198826637
Energy: -1.2398660934012729
Energy: -1.215896991820996
Energy: 0.751416421234911
Energy: -1.1904225065634308
Energy: 0.7514164212338686
Energy: -1.2953884786875203
Energy: 0.7514164212364746
Energy: -0.991011370433182
Energy: -3.8692910383131247
Energy: -1.6246803649390524
Energy: -1.7499164486689724
Energy: -3.415591785553323
Energy: -1.8028434690383877
Energy: -3.3833110072436012
Energy: -4.035646830858097
Energy: -3.4164671938752424
Energy: -3.5955393455395814
Energy: -3.6946252993072197
Energy: -3.7580994033047994
Energy: -1.3536352094616817
Energy: -1.3847241747146357
Energy: -1.3547081036846165
Energy: -1.2024800410778256
Energy: -2.5388567126451336
Energy: -1.228963416697402
Energy: -2.2170903857828956
Energy: -1.1690232594819616
Energy: -1.47304554530166
Energy: -1.0564041209270607
Energy: -1.3315300942293335
Energy: -1.1949996606332873
Energy: -1.2408189012446658

minimum gb energy = -4.29877572412033 eV
minimum distance =  2.30676466288813 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01660408683077316
Energy: 0.4819272985497153
Energy: 0.01660408683118215
Energy: 0.4819272985501483
Energy: 0.01660408683077316
Energy: 0.4819272985493063
Energy: 0.01724821409910973
Energy: -5.397216217394125
Energy: 0.01724821409867668
Energy: -5.397216217391167
Energy: 0.01724821409910973
Energy: -5.397216217395401
Energy: 0.596143343489185
Energy: -5.398843070239874
Energy: 0.5961433434904841
Energy: -5.398843070234797
Energy: 0.5961433434925532
Energy: -5.398843070240716
Energy: 0.017248214099518717
Energy: -5.397216217393283
Energy: 0.01724821409910973
Energy: -5.397216217394967
Energy: 0.01724821409867668
Energy: -5.397216217386499

minimum gb energy = -5.398843070240716 eV
minimum distance =  2.45528944059971 Angstroms
sigma value = 1