Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Pd__MO_307252285625_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8890872895717616
cohesive_energy=3.9103075413017163
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01474292572114046
Energy: 0.10602111818565957
Energy: 0.7342511919133465
Energy: 0.7343347469553487
Energy: 0.017853272088584473
Energy: 0.016163235776349354
Energy: 0.10565087687415674
Energy: 0.7333777887981517
Energy: 0.7353221983515633
Energy: 0.01737437528991044
Energy: 0.10659811835486548
Energy: 0.7323508128241566
Energy: 0.10621255951917347
Energy: 0.10649551449468767
Energy: 0.1065243874655879
Energy: 0.10714035652504218
Energy: 0.7324322108060479
Energy: 0.10592645642053101
Energy: 0.10888650616184005
Energy: 0.10629450051001132
Energy: 0.7357440134983544
Energy: 0.01778268610030475
Energy: 0.01531513373856072
Energy: 0.10597362080618115
Energy: 0.7338290839620871
Energy: 0.7357967860635104
Energy: 0.016988514323043078
Energy: 0.015107201237310857
Energy: 0.1062483046214808
Energy: 0.7332375402743707
Energy: 0.10688534607531334
Energy: 0.01603463067396055
Energy: 0.01595149329150283
Energy: 0.7328237738474838
Energy: 0.10599394259336921
Energy: 0.10719172252115437
Energy: 0.015763174989715186
Energy: 0.015407024230276296
Energy: 0.7344312622724248
Energy: 0.10652570657128388
Energy: 0.1077222501765067
Energy: 0.10730266791569602
Energy: 0.7333424142287194
Energy: 0.016147445222838955
Energy: 0.015674886742278814
Energy: 0.1065354814701057
Energy: 0.73475749575299
Energy: 0.10901244710752708
Energy: 0.017075558339327716
Energy: 0.1055281006289003
Energy: 0.7339624389446018
Energy: 0.10765175647158565
Energy: 0.10595110176702431
Energy: 0.01571212611666147
Energy: 0.01869711263569105
Energy: 0.7350396276137149
Energy: 0.8448963948992122
Energy: 0.10776536824367636
Energy: 0.015818241506999623
Energy: 0.019495012898038528
Energy: 0.019532287514435122
Energy: 0.10691813726753271
Energy: 0.10593576822471845
Energy: 0.10713910288980562
Energy: 0.10698419209082664
Energy: 0.019252958834630168
Energy: 0.9156361911942432
Energy: 0.7405165331745174
Energy: 0.1077930287648739
Energy: 0.1081206496679633

minimum gb energy = 0.01474292572114046 eV
minimum distance =  2.71439569074729 Angstroms
sigma value = 3


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

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Energy: 1.4251432424588275
Energy: 1.2479211534290926
Energy: 1.3039269756820338
Energy: 1.583100379690294
Energy: 1.3757258374001011
Energy: 1.4740674868869785
Energy: 1.251509065211359
Energy: 1.3701231557224853
Energy: 1.5781378829359085
Energy: 1.8478379731661478
Energy: 1.904745452056487
Energy: 1.5653519495070696
Energy: 1.5484627530709272
Energy: 1.6242424571923852
Energy: 1.794564479644877
Energy: 1.8624981183894658
Energy: 1.5687372002259536
Energy: 1.5254148561335557
Energy: 1.5836685029488218
Energy: 1.3510605178350419
Energy: 1.801361989492997
Energy: 1.74779020147643
Energy: 1.3540493431080278
Energy: 1.3586473257428184
Energy: 1.3518917273823972
Energy: 1.7964458680817048
Energy: 1.7629472068452336
Energy: 1.3477309383737857
Energy: 1.3800910089727771
Energy: 1.3532720657473265
Energy: 1.6071956139852628
Energy: 1.804588145362251
Energy: 1.5279461492239605
Energy: 1.4065570327466395
Energy: 1.354435301648673
Energy: 1.6785605894430566
Energy: 1.8027330024298671
Energy: 1.4694545095131417
Energy: 1.3502610038076248
Energy: 1.6369180392465077
Energy: 1.507183004880919
Energy: 1.610121776249965
Energy: 1.6674323563665747
Energy: 1.5628600364714147
Energy: 1.634619892900116
Energy: 1.5109855054937802
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Energy: 1.693107428896434
Energy: 1.568599964747803
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Energy: 1.3913243580540473
Energy: 1.5739561358671061
Energy: 1.5561916647709875
Energy: 1.6833292789550753
Energy: 1.7338059880856527
Energy: 1.3944472268622357
Energy: 1.5416327007482338
Energy: 1.7019332618250047
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Energy: 1.5959858250387935
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Energy: 1.6603322173571138
Energy: 1.2545186986112609
Energy: 1.5326970868334509
Energy: 1.9943095367549675
Energy: 2.0632174485225145
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Energy: 1.2593370105963162
Energy: 1.5558112999563296
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Energy: 1.5830604748955561
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Energy: 1.5764602482987162
Energy: 1.5737310916763962
Energy: 1.7563912540576863
Energy: 1.576820802239869
Energy: 1.6856024974188386
Energy: 1.6315366000723883
Energy: 1.58902935190361
Energy: 1.7458994908369618
Energy: 1.2932708869979181
Energy: 1.5379253379816091
Energy: 1.2758246128242803
Energy: 1.2647872919292016
Energy: 1.7211912466933847
Energy: 1.294058696865299
Energy: 1.544347498263948
Energy: 1.2784934014436786
Energy: 1.3875496475443823
Energy: 1.7202379551878397
Energy: 1.7860116978529021
Energy: 1.8385056403525972
Energy: 1.560819318779105
Energy: 1.5712096725941702
Energy: 1.5390024683298504
Energy: 1.7829210905227741
Energy: 1.796413914836917
Energy: 1.535675145967346
Energy: 1.5719080502708478
Energy: 1.5355940148753393
Energy: 1.333151435335523
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Energy: 1.7796595358612728
Energy: 1.3705936999160468
Energy: 1.3237021588034226
Energy: 1.3357563063459463
Energy: 1.8241379743128132
Energy: 1.8334741044772536
Energy: 1.3600656642144584
Energy: 1.3243011595691383
Energy: 1.333970851243683
Energy: 1.6556334335898086
Energy: 1.7816158599853764
Energy: 1.4241259975737364
Energy: 1.1753978164497332
Energy: 1.3326681960000233
Energy: 1.5965590684074342
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Energy: 1.4121719157419899
Energy: 1.1788609363536156
Energy: 1.633808481475997
Energy: 1.658155342357043
Energy: 1.6061281118916175
Energy: 1.7013366785762774
Energy: 1.5505722645690891
Energy: 1.632507411578263
Energy: 1.6232673326950777
Energy: 1.6082671885888857
Energy: 1.69503443999893
Energy: 1.591386230297286
Energy: 1.587589088082885
Energy: 1.3890268401695511
Energy: 1.5091941916278504
Energy: 1.7832704288743224
Energy: 1.6347497107449536
Energy: 1.5401653794427554
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Energy: 1.519827733269598
Energy: 1.3764153508415546
Energy: 1.6413204411557023
Energy: 1.5940281539184629
Energy: 1.6411232016223718
Energy: 1.7715950047333557
Energy: 1.5421799715692313
Energy: 1.694510643710729
Energy: 1.5940382913105344
Energy: 1.6257634833986496
Energy: 1.7693678605138596
Energy: 1.5055807548033129
Energy: 1.6815800490785395
Energy: 1.2572272212490203
Energy: 1.5136557452282953
Energy: 1.8910668564420168
Energy: 1.74378690380167
Energy: 1.4676261197575085
Energy: 1.2572444112001835
Energy: 1.5076259091074726
Energy: 1.8882813912979235
Energy: 1.6241041542536356
Energy: 1.4668731689180219
Energy: 1.5163904360616818
Energy: 1.5421547934452338
Energy: 1.506463702942058
Energy: 1.8082271449222442
Energy: 1.6219214579816719
Energy: 1.5133508693306816
Energy: 1.5503943047266149
Energy: 1.5786461338312578
Energy: 1.839474487446437
Energy: 1.6531794715490284
Energy: 1.568550315454125
Energy: 1.392826936553235
Energy: 1.3808679990209582
Energy: 1.4820461339485016
Energy: 1.8128546769093323
Energy: 1.571422013426292
Energy: 1.372457991385406
Energy: 1.3640577068960733
Energy: 1.4901868211582705
Energy: 1.7702843445669554
Energy: 1.519647472472366
Energy: 1.372079653245597
Energy: 1.3226111228284292
Energy: 1.565147776602067
Energy: 1.7775411569442412
Energy: 1.5119330975073357
Energy: 1.3585710535086226
Energy: 1.336630237191451
Energy: 1.6105032842294784
Energy: 1.8359952023427666
Energy: 1.7680325476714207
Energy: 1.7331977946679737
Energy: 1.6690702863999776
Energy: 1.7467394443069197
Energy: 1.684150499631085
Energy: 1.767817395311544
Energy: 1.6329153108248733
Energy: 1.6649246567945306
Energy: 1.766960953419092
Energy: 1.6943763804432805
Energy: 1.487878352779864
Energy: 1.2530524868979591
Energy: 1.665229790774929
Energy: 1.391319099402944
Energy: 1.5928356734154707
Energy: 1.5395626229397648
Energy: 1.6569617464819626
Energy: 1.5857301681013332
Energy: 1.388343931523559
Energy: 1.6139301057286675
Energy: 1.5358135031340363
Energy: 1.7603448458318256
Energy: 1.6177818311878496
Energy: 1.5302304837126937
Energy: 1.745158183162515
Energy: 1.5342773803014913
Energy: 1.757378465963999
Energy: 1.6142787961832628
Energy: 1.5675543176008726
Energy: 1.8321916865831993
Energy: 1.4183496194642844
Energy: 1.3859576912599259
Energy: 1.2502927023984665
Energy: 1.3095123018743118
Energy: 1.6921473071741027
Energy: 1.3800057852436731
Energy: 1.4455882764908408
Energy: 1.2433470646325422
Energy: 1.3277291760669927
Energy: 1.683602116978523

minimum gb energy = 1.1753978164497332 eV
minimum distance =  2.41984114568259 Angstroms
sigma value = 75


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

Energy: 2.0053670841429363
Energy: 1.6049821123160426
Energy: 1.5244396701748262
Energy: 1.5575685276595812
Energy: 1.633795386597117
Energy: 1.9218870718569045
Energy: 1.5677875290113699
Energy: 1.5123856405875171
Energy: 1.5650290322904286
Energy: 1.5440257173286742
Energy: 1.8197385607748244
Energy: 1.97405555810372
Energy: 1.6417305622125526
Energy: 1.5216213573155914
Energy: 1.4193716772868286
Energy: 1.7824336020773814
Energy: 1.7356986166635755
Energy: 1.6389930403863122
Energy: 1.5345240434911982
Energy: 1.5160913441138615
Energy: 1.6543096774117272
Energy: 1.7354099165836716
Energy: 1.4865836918372322
Energy: 1.5031644737088115
Energy: 1.4169601820147206
Energy: 1.6270633810689363
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Energy: 1.4864717563277756
Energy: 1.487500885975109
Energy: 1.3881861464557708
Energy: 1.696739088355763
Energy: 1.7731209089640423
Energy: 1.7554708993514938
Energy: 1.713743753969897
Energy: 1.3598737567051868
Energy: 1.687048301840722
Energy: 1.7657024917129764
Energy: 1.7508988840303712
Energy: 1.707866561817872
Energy: 1.3597037423994223
Energy: 1.999462820934334
Energy: 1.7719780601284536
Energy: 1.7501745045924748
Energy: 1.634199387492239
Energy: 1.6799502532338046
Energy: 1.988050717976292
Energy: 1.707851213087131
Energy: 1.6069010993014372
Energy: 1.6366445816827169
Energy: 1.6605730243100658
Energy: 1.6060559786631377
Energy: 1.9409932692160714
Energy: 1.6393982794322803
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Energy: 1.5804009898703717
Energy: 1.6148989286427513
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Energy: 1.7202726445052998
Energy: 1.6251966017726673
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Energy: 1.4651693895178155
Energy: 1.7824231760601958
Energy: 1.8055854856264082
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Energy: 1.9379383128504573
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Energy: 1.4375118466773342
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Energy: 1.7478304675535277
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Energy: 1.5534780106604218
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Energy: 1.917052438337325
Energy: 1.5973955117743845
Energy: 1.5278293332753572
Energy: 1.4639927565538997
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Energy: 1.6050848659097021
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Energy: 1.4908045854016103
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Energy: 1.7281267898250048
Energy: 1.7716951045912652
Energy: 1.6704120076763138
Energy: 1.6209989105492297
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Energy: 1.8078744580761907
Energy: 1.670091340561066
Energy: 1.5014696506658
Energy: 1.5742056776680797
Energy: 1.9162839183935543
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Energy: 1.5139314871610878
Energy: 1.718912161353126
Energy: 1.9099898396093502
Energy: 1.6092540548152865
Energy: 1.5547537794511137
Energy: 1.5419015480629141
Energy: 1.5764630960215822
Energy: 1.6177654954758085
Energy: 1.921177572482625
Energy: 1.6489406939149633
Energy: 1.5180263425055482
Energy: 1.581890344823801
Energy: 1.6465299163162301
Energy: 1.9315356834665374
Energy: 1.649281506441929
Energy: 1.6011066497555109
Energy: 1.5099681685341828
Energy: 1.469629867743602
Energy: 1.7833485580654356
Energy: 1.772344588894034
Energy: 1.6622089158983628
Energy: 1.5147612382760953
Energy: 1.450233322443514
Energy: 1.7861775108864715
Energy: 1.7673598494408973
Energy: 1.6362221946967064
Energy: 1.4046336238310013
Energy: 1.3312252760883199
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Energy: 1.4939098803178403
Energy: 1.7364582886494524
Energy: 1.2850486140878223
Energy: 1.3613919739955953
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Energy: 1.4920187911938376
Energy: 1.6715643572228371
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Energy: 1.7524100365365844
Energy: 1.6934062825675218
Energy: 1.681380512363246
Energy: 1.5132153013090388
Energy: 1.5744883598717447
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minimum gb energy = 1.2798438386994166 eV
minimum distance =  2.4690196447003 Angstroms
sigma value = 105


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

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Energy: 1.5154976139533987
Energy: 1.5328566292657808
Energy: 1.7750905506591697
Energy: 1.7221738730557827
Energy: 1.4254891193661776
Energy: 1.333144264608262
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Energy: 1.9350958820056012
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Energy: 1.4161665203704374
Energy: 1.3348916291267565
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Energy: 1.9087448039785617
Energy: 1.8420808372851278
Energy: 1.4529562100895441
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Energy: 1.5008603322660774
Energy: 1.9378520908250392
Energy: 1.7963244807051477
Energy: 1.4306562326658796
Energy: 1.4280925377027627
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Energy: 1.9385600961597027
Energy: 1.7371303403005052
Energy: 1.7381255140281602
Energy: 1.3726602226081044
Energy: 1.568706382208481
Energy: 1.6462829324991006
Energy: 1.777482154541599
Energy: 1.71295940326592
Energy: 1.405771947063745
Energy: 1.5566595672081454
Energy: 1.626083979221268
Energy: 1.701629652598207
Energy: 1.773489117561448
Energy: 1.8045484210323695
Energy: 1.468243907415042
Energy: 1.551376264556835
Energy: 1.662974599959787
Energy: 1.7268826060220874
Energy: 1.788334622097407
Energy: 1.397088217999424
Energy: 1.5906396404691676
Energy: 1.6541917338795322
Energy: 1.6946619895441373
Energy: 1.3923124011080705
Energy: 1.6334601450466746
Energy: 1.5550906579156893
Energy: 1.6628198051960164
Energy: 1.716954985708265
Energy: 1.4146460398866296
Energy: 1.6096574268996149
Energy: 1.6897632623797716
Energy: 1.9398052054995223
Energy: 1.5393279366097044
Energy: 1.3057121080769383
Energy: 1.3684051060027986
Energy: 1.5737748309949018
Energy: 1.8699894479638068
Energy: 1.4320305007764293
Energy: 1.2737555622912335
Energy: 1.3715370718436644
Energy: 1.8739778977516632

minimum gb energy = 1.2636144153780555 eV
minimum distance =  2.45076113826711 Angstroms
sigma value = 165


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

Energy: 1.3341429914402776
Energy: 1.4864120875486582
Energy: 1.4660304305141536
Energy: 1.468224157625582
Energy: 1.7162035012942036
Energy: 1.3354071182792318
Energy: 1.575257636830625
Energy: 1.3947011246511942
Energy: 1.4699396856377198
Energy: 1.8187897671098527
Energy: 1.4477414777381639
Energy: 1.4158267609641508
Energy: 1.5301677718598659
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Energy: 1.3151685974391902
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Energy: 1.4921547886708368
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Energy: 1.4486628527570913
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Energy: 1.3632949983115352
Energy: 1.7228940867325653
Energy: 1.4208581118109518
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Energy: 1.693230684128564
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Energy: 1.4890503404376714
Energy: 1.3429969300162667
Energy: 1.681668980407087
Energy: 1.7226944619666893
Energy: 1.339296428181578
Energy: 1.5602363547872438
Energy: 1.436465133777832
Energy: 1.3505483569823395
Energy: 1.4424155309793925
Energy: 1.4895532313447604
Energy: 1.5913652109026775
Energy: 1.4894118375591745
Energy: 1.330238625691799
Energy: 1.3034816452280291
Energy: 1.4687704894454243
Energy: 1.7229836967418786
Energy: 1.7687144788718228
Energy: 1.2484030455281792
Energy: 1.2852934904185125
Energy: 1.4611845183686072
Energy: 1.7226754834881026
Energy: 1.7576871699558958
Energy: 1.2482669119999064
Energy: 1.2853616425062924
Energy: 1.4581983861614165
Energy: 1.6198076793616607
Energy: 1.688630836105644
Energy: 1.519647746484847
Energy: 1.1728406151199269
Energy: 1.4089385217151718
Energy: 1.6213544343253845
Energy: 1.6886325877472843
Energy: 1.546527028913244
Energy: 1.1718893888824018
Energy: 1.4606270913580515
Energy: 1.7403367506176484
Energy: 1.3099991856548727
Energy: 1.2926010752521158
Energy: 1.4736154763894391
Energy: 1.4425055160138884
Energy: 1.678304156722257
Energy: 1.3098483147509874
Energy: 1.33892324869253
Energy: 1.428483066565401
Energy: 1.4390814569325565

minimum gb energy = 1.1718893888824018 eV
minimum distance =  2.44040605093537 Angstroms
sigma value = 41


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

Energy: 2.090622259856803
Energy: 1.424355438594466
Energy: 1.2392944227162968
Energy: 1.3592863425713135
Energy: 1.5393867399079915
Energy: 2.054691165195333
Energy: 1.526822568570089
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Energy: 1.5124743025817795
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Energy: 1.5072791203469065
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Energy: 1.321547703713067
Energy: 1.5774642640251646
Energy: 1.8946864394552703
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Energy: 1.6113191681833943
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Energy: 1.6896364321088713
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Energy: 1.6478681820948042
Energy: 1.4822321504201414
Energy: 1.578572759900115
Energy: 1.6204476940980916
Energy: 1.5121461990380303
Energy: 1.6104481416707115
Energy: 1.6169888286051555
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Energy: 1.251658007052635
Energy: 1.554671678592195
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Energy: 1.6262400186193624
Energy: 1.1862813562518948
Energy: 1.2548658289564327
Energy: 1.4435511041199574
Energy: 1.7189252748901849
Energy: 1.9402685555890369
Energy: 1.1852423197514839
Energy: 1.3220465763305553
Energy: 1.5536985930352278
Energy: 1.8986639413613984
Energy: 1.8863938712361872
Energy: 1.1730543553930328
Energy: 1.3199941011861271
Energy: 1.4655622504306034
Energy: 1.558967363902009
Energy: 1.6457446370217645
Energy: 1.3157142090149043
Energy: 1.3244856518206005
Energy: 1.4101672055550973
Energy: 1.6595276773086884
Energy: 1.5085803264099245
Energy: 1.3431785042467832
Energy: 1.306374597550235
Energy: 1.4283697357794174
Energy: 1.8423984597221523
Energy: 1.4850859308917543
Energy: 1.1141146304617195
Energy: 1.1346381989653005
Energy: 1.5299473229030098
Energy: 1.8686148693326297
Energy: 1.3452359705187724
Energy: 1.1137842941745533
Energy: 1.1556200557035947
Energy: 1.3854837472264172
Energy: 1.8576543161387038
Energy: 1.4595736129172205
Energy: 1.2596231609174207
Energy: 1.1684108708763867
Energy: 1.6229714133560815
Energy: 1.8605611028695817
Energy: 1.4590100298219961
Energy: 1.2462283425034353
Energy: 1.1789918900778074
Energy: 1.558064194405138
Energy: 1.496699854918212
Energy: 1.280341936769231
Energy: 1.1645674961114838
Energy: 1.3269446212577374
Energy: 1.5731386906274074
Energy: 1.4065766558519541
Energy: 1.3065095020209554
Energy: 1.1591986727829657
Energy: 1.3358175687707614
Energy: 1.852159239778705
Energy: 1.5168658174052214
Energy: 1.1085628942884618
Energy: 1.1206689855615835
Energy: 1.5104712167202818
Energy: 1.7996241488641722
Energy: 1.4153170361315912
Energy: 1.097659154548367
Energy: 1.092040240566975
Energy: 1.6038045666562561

minimum gb energy = 1.0860376523028723 eV
minimum distance =  2.50913138713861 Angstroms
sigma value = 185


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

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Energy: 1.1539174354326915
Energy: 1.8849866002709263
Energy: 1.1132159180591128
Energy: 0.5789624930038137
Energy: 0.5789041601772196
Energy: 1.0077452906735767
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Energy: 0.8843235907547679
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Energy: 1.843027483078914
Energy: 0.9845820373012912
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Energy: 1.1940750540503533
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Energy: 0.577699115045906
Energy: 1.1529911077545933
Energy: 1.8803814149752827
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Energy: 0.5777575019867484
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Energy: 1.8766732229806202
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Energy: 1.0561705179125822
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Energy: 1.0590465597761447
Energy: 0.6358193339893465
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Energy: 2.2114110808409255
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Energy: 0.9946825950854483
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Energy: 1.1470530502324283
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Energy: 0.824411199128651
Energy: 0.8697983477456307
Energy: 2.247498071090017
Energy: 0.9859134311811973
Energy: 0.49331168594180286
Energy: 0.4933612059199751
Energy: 0.9250137838343669
Energy: 1.8914120685917715
Energy: 1.1370802741490267
Energy: 0.5784374276445406
Energy: 0.5784409239641771
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Energy: 1.8825541184855554
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Energy: 0.534859643434045
Energy: 0.9682174975535804
Energy: 1.9033656802729955
Energy: 0.8534147934703746
Energy: 0.7591471498420633
Energy: 0.8561192134054474
Energy: 1.8744824272775793
Energy: 1.182681659229711
Energy: 1.0866966252312773
Energy: 0.658687162361129
Energy: 0.8831758797095525
Energy: 2.218150111254028
Energy: 2.226241184547111
Energy: 1.047745975144013
Energy: 0.6376646296517998
Energy: 1.096532248515642
Energy: 2.2136778684192566
Energy: 1.1882366328498406
Energy: 0.6223258231214677
Energy: 0.6250870020473204
Energy: 1.1537276700671029
Energy: 1.8705505753206262
Energy: 1.1602217888024675
Energy: 0.621684714990802
Energy: 0.626899814685927
Energy: 1.1244133476994203
Energy: 1.8706219286357342
Energy: 1.132810263638135
Energy: 0.8894413046395031
Energy: 0.8859481727032383
Energy: 1.1404753653314552
Energy: 1.8875577166181179
Energy: 1.0191521284751799
Energy: 0.8157386161154007
Energy: 0.759111558166405
Energy: 1.1497698186554928
Energy: 1.8872756836860727
Energy: 1.1474570700369147
Energy: 0.8279578084843379
Energy: 1.157034663850362
Energy: 1.887581325535704
Energy: 2.1803243244590056
Energy: 0.959652327585168
Energy: 0.5784895383169403
Energy: 1.0128357808746342
Energy: 2.1267573801672337
Energy: 1.180490345951893
Energy: 0.8281779286803211

minimum gb energy = 0.4931846199058115 eV
minimum distance =  2.56649794240701 Angstroms
sigma value = 33


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

Energy: 1.7119007362022258
Energy: 1.394985348329738
Energy: 1.1228950285264876
Energy: 1.1809947964408734
Energy: 1.5109546633194946
Energy: 1.6596700549464358
Energy: 1.3802913934137644
Energy: 1.1398775124952243
Energy: 1.183947487106987
Energy: 1.5515225742371352
Energy: 1.2606087504553443
Energy: 1.185661837643128
Energy: 0.9694466718964638
Energy: 1.0613075310551536
Energy: 1.2445111048801625
Energy: 1.2319684289353992
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Energy: 1.0082332854296376
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Energy: 1.7619766382005162
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Energy: 1.2973633837979066
Energy: 1.8681283676015261
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Energy: 1.0766277783831502
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Energy: 1.3333547601936153
Energy: 1.8632527707273832
Energy: 1.1775807782958678
Energy: 1.024366649552906
Energy: 1.0195301594057724
Energy: 1.2603672950696638
Energy: 1.2045395689090312
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Energy: 1.137548544496977
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Energy: 1.86709540145582
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Energy: 1.8716709904571092
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Energy: 1.3688165113630792
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Energy: 1.2333557847642733
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Energy: 1.2542528999332285
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Energy: 1.1754921279336492
Energy: 1.3963698167447869
Energy: 1.5650320125096642
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Energy: 1.0791632093147965
Energy: 1.183205639921368
Energy: 1.3544319458455463
Energy: 1.65492459722641
Energy: 1.207591383799526
Energy: 1.2984207773555558
Energy: 1.4319328538495775
Energy: 1.3742635791771196
Energy: 1.6959259951260819
Energy: 1.0626065065759804
Energy: 1.4207404705519626
Energy: 1.4479318766390883
Energy: 1.252800131900523
Energy: 1.6200017881670086
Energy: 1.0324751112486594
Energy: 1.0925225253179427
Energy: 1.4379119763395263
Energy: 1.2502456195716296
Energy: 1.6001911603657537
Energy: 1.0307137835847713
Energy: 1.1688620834043708
Energy: 1.4564984446037301
Energy: 1.4498805870911007
Energy: 1.5773878106950854
Energy: 1.3788205546080123
Energy: 1.568240307467415
Energy: 1.3656049119071554
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Energy: 1.2643106171505836
Energy: 1.1292685657758528
Energy: 1.0846926825530736
Energy: 1.5167656278454613

minimum gb energy = 0.9286630894325005 eV
minimum distance =  2.49796443549684 Angstroms
sigma value = 219


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

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Energy: 1.6204580049733963
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Energy: 1.4470836576353403
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Energy: 1.763563793877091
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Energy: 1.7930899477744946
Energy: 1.4955204687228876
Energy: 1.3561454963697401
Energy: 1.4743026158832542
Energy: 1.3412077973601595

minimum gb energy = 1.1902593751099062 eV
minimum distance =  2.50756773242875 Angstroms
sigma value = 15


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

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Energy: 1.6056507639033875
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Energy: 1.4480981751501711
Energy: 1.5812364551499773
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minimum gb energy = 1.2483439968206926 eV
minimum distance =  2.48828332607 Angstroms
sigma value = 293


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

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Energy: 1.9295917570813164
Energy: 1.7415683032664142
Energy: 1.8002588587742059
Energy: 1.6332295546963411
Energy: 1.6480062701073481
Energy: 2.015202005246616
Energy: 1.863691567421493
Energy: 1.5760728126160308
Energy: 1.3692128269703159
Energy: 1.3093674136658637
Energy: 1.8055498062705357
Energy: 1.792472767069435
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Energy: 1.3689151899979537
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Energy: 1.7808109250676056
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Energy: 1.6050164721725269
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Energy: 1.4943650048491124
Energy: 1.578949459642269
Energy: 1.790115539336322
Energy: 1.8114401933771536
Energy: 1.4391358578099092
Energy: 1.484636449741201
Energy: 1.6027299107014024
Energy: 1.8246832679479867
Energy: 1.6969189262722106
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Energy: 1.4189347083918997
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Energy: 1.8789764143833412
Energy: 1.661700333447895
Energy: 1.3166854046201397
Energy: 1.4930142472762584
Energy: 1.9340587452599598
Energy: 2.056959162548347
Energy: 1.693440821444278
Energy: 1.6004732681908769
Energy: 1.6562668105634177
Energy: 2.087289792231966
Energy: 2.0269036798989193
Energy: 1.599200389361015
Energy: 1.54927443588925
Energy: 1.6565546048911115
Energy: 1.7910455175454836
Energy: 1.729291227780731
Energy: 1.765744531795707
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Energy: 1.5727728077433605
Energy: 1.63149608230505
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Energy: 1.769244406134211
Energy: 1.605248201925351
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Energy: 1.6069555162732228
Energy: 1.6791421734503864
Energy: 1.748950870421891
Energy: 1.518997926922025
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Energy: 1.7934778055887857
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Energy: 1.576638484314439
Energy: 1.6720000662348076
Energy: 1.5293507316000878
Energy: 1.795470382971168
Energy: 1.9994538976350096
Energy: 1.6421768806326482
Energy: 1.6014930215574517
Energy: 1.4948620810184337
Energy: 1.935246871299513
Energy: 1.8293302317086593
Energy: 1.8849559080064617
Energy: 1.5606073445263664
Energy: 1.5390182681166087
Energy: 1.7926397366180962
Energy: 1.8687019170188515
Energy: 1.7688606592301934
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Energy: 1.5825109399951107
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Energy: 1.626437884053132
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Energy: 1.4338736614062453
Energy: 1.4496033467709706
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Energy: 1.6263816135542217
Energy: 1.6052661899385405
Energy: 1.6096056961563037
Energy: 1.7569976713227258
Energy: 1.553787522223665
Energy: 1.699386817652418
Energy: 1.5721353853411535
Energy: 1.6546225515043198
Energy: 1.9027855410827546
Energy: 1.970238147573826
Energy: 1.7387983146131256
Energy: 1.8583662315326324
Energy: 1.8294724066502368
Energy: 1.8974035752134228
Energy: 1.9701681196598315
Energy: 1.7389649174292334
Energy: 1.8415998886051066
Energy: 1.8269114562221522
Energy: 1.8003004113694003
Energy: 1.440345003474739
Energy: 1.4834819735623608
Energy: 1.654849384277262
Energy: 1.7576324902948597
Energy: 1.8377284203678041
Energy: 1.4401158291557774
Energy: 1.5583861776626462
Energy: 1.6946553915128495
Energy: 1.7563272513444155
Energy: 1.5457855070284188
Energy: 1.3490172208890006
Energy: 1.6579644639056403
Energy: 1.6970130965810293
Energy: 1.8154776751810318
Energy: 1.4647298004818798
Energy: 1.349468790490439
Energy: 1.657750828730359
Energy: 1.7419036481020234
Energy: 1.6970742826456573
Energy: 1.6335973372538393
Energy: 1.5201195467367268
Energy: 1.7298987687180942
Energy: 2.062530337761905
Energy: 2.05549275397574
Energy: 1.6305064306690702
Energy: 1.6516204636665412
Energy: 1.870237405469968
Energy: 2.055721513234185
Energy: 1.985371410659111
Energy: 1.6764625262648232
Energy: 1.2268482321067782
Energy: 1.7561794460818496
Energy: 1.7786805199712303
Energy: 1.6229280664191796
Energy: 1.5030036877077555
Energy: 1.2271773836331388
Energy: 1.7905366880816194
Energy: 1.8193926037689343
Energy: 1.5809366293213587
Energy: 1.715472721226886
Energy: 1.6898940414628583
Energy: 1.8255819670467068
Energy: 1.6111723484850393
Energy: 1.6124059795727321
Energy: 1.7150437555979605
Energy: 1.6567745286130182
Energy: 1.6871519240540007
Energy: 1.611703863607686
Energy: 1.6330729422824386
Energy: 1.776718320513225
Energy: 1.8748677982464406
Energy: 1.6275736948761494
Energy: 1.57749894665045
Energy: 1.7236601464130752
Energy: 1.7769190930630248
Energy: 1.948044074928362
Energy: 1.6267116997221753
Energy: 1.5792989295354698
Energy: 1.5808977343162867

minimum gb energy = 1.224767778336748 eV
minimum distance =  2.48744798985509 Angstroms
sigma value = 293


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

Energy: 1.0882016158473506
Energy: 1.6534165316930522
Energy: 1.565842901090321
Energy: 1.769673036023658
Energy: 1.0916598244827636
Energy: 1.0893499635225414
Energy: 1.6531384912633829
Energy: 1.7872307151820592
Energy: 1.769445882652087
Energy: 1.0924144412158299
Energy: 1.5647201782576943
Energy: 1.6418980870486208
Energy: 1.1075816719199618
Energy: 1.5005328425146673
Energy: 1.7763117610310946
Energy: 1.5656589977828714
Energy: 1.443549659097123
Energy: 1.4270745733422994
Energy: 1.6530367298375876
Energy: 1.6554333236932182
Energy: 1.4344884331779395
Energy: 1.5817190683554387
Energy: 1.263348584938214
Energy: 1.7751338900014153
Energy: 1.4940934903987937
Energy: 1.4352812051336594
Energy: 1.432479948211962
Energy: 1.4464398418473043
Energy: 1.7754587899931435
Energy: 1.4953036964291435
Energy: 1.4016509144121523
Energy: 1.0930864649392293
Energy: 1.0911637618003578
Energy: 1.1128098335569108
Energy: 1.6540860268211888
Energy: 1.775051143138433
Energy: 1.3044639762582932
Energy: 1.0912780272665348
Energy: 1.1128743147765303
Energy: 1.095087598307041
Energy: 1.7684980518890152
Energy: 1.0911065431547904
Energy: 1.0902241530528043
Energy: 1.4434026163341789
Energy: 1.2656657270714917
Energy: 1.659495273282312
Energy: 1.090823437148004
Energy: 1.0906197170494336
Energy: 1.1128472942921397
Energy: 1.113491093654067
Energy: 1.7652376662315916
Energy: 1.5685884140209376
Energy: 1.6496575701585114
Energy: 1.4319831966218832
Energy: 1.4272299942522584
Energy: 1.7661846515085178
Energy: 1.5694410435986144
Energy: 1.6502657791377162
Energy: 1.4325278439499285
Energy: 1.128665900642486
Energy: 1.9547807893482814
Energy: 1.0966767968266453
Energy: 1.4343168720601707
Energy: 1.4508392707074529
Energy: 1.1126540238436886
Energy: 1.7303483745492285
Energy: 1.0956386426040057
Energy: 1.584668608995642
Energy: 1.6466086614256372
Energy: 1.5981150000498385
Energy: 1.6792858026910131
Energy: 1.4954333010520615
Energy: 1.6013506613935704
Energy: 1.0898259190276016
Energy: 1.091853188107621
Energy: 1.9583457352909335
Energy: 1.5615597925441806
Energy: 1.598944646974406
Energy: 1.0896980655995114
Energy: 1.4309120713559418
Energy: 1.2630229497893335
Energy: 1.4272626174249539
Energy: 1.6615757053367806
Energy: 1.091374222648598
Energy: 1.6523943840353443
Energy: 1.1135046682734075
Energy: 1.4998266828008209
Energy: 1.662836549251968
Energy: 1.0912681331924317
Energy: 1.6520491648673916
Energy: 1.112832686412738
Energy: 1.114883005936622
Energy: 1.561827712884725
Energy: 1.958741301632132
Energy: 1.4337241334439572
Energy: 1.2635661586053046
Energy: 1.2632203257319288
Energy: 1.5618397778827553
Energy: 1.9582068339931984
Energy: 1.4333741998856047
Energy: 1.0927878119744263
Energy: 1.6764878807107464
Energy: 1.653873819350425
Energy: 1.652363732002865
Energy: 1.5593517275995075
Energy: 1.3162324114724946
Energy: 1.7100598411333556
Energy: 1.8502746221613637
Energy: 1.6527234583889294
Energy: 1.5654421860623817
Energy: 1.0884492631146954
Energy: 1.753316336534165
Energy: 1.5658556497968614
Energy: 1.76938896889324
Energy: 1.0915637949523922
Energy: 1.089140502078067
Energy: 1.7532459715033972
Energy: 1.5676165271680087
Energy: 1.7701308107698506
Energy: 1.092182458374223
Energy: 1.5648733515594426
Energy: 1.4463467621912236
Energy: 1.1071484156864666
Energy: 1.5002139341578031
Energy: 1.7766079914936417
Energy: 1.5651105964249772
Energy: 1.444088288030873
Energy: 1.4267765944072814
Energy: 1.653285788927409
Energy: 1.6561461452234962
Energy: 1.4342615668184606
Energy: 1.5814772560719221
Energy: 1.2634297277757587
Energy: 1.5629592458059416
Energy: 1.493644767187499
Energy: 1.4339314487531702
Energy: 1.4327351094329919
Energy: 1.4469404968856492
Energy: 1.7754229285843404
Energy: 1.4967418176233467
Energy: 1.5602536868123025
Energy: 1.0929045953855983
Energy: 1.0911920105846276
Energy: 1.113332663877767
Energy: 1.8337025478551812
Energy: 1.775845800505399
Energy: 1.092377015949946
Energy: 1.0913038191249251
Energy: 1.320615719976188
Energy: 1.4951026938723233
Energy: 1.4513557299246187
Energy: 1.0910925719598503
Energy: 1.0900164607815863
Energy: 1.6407252289133405
Energy: 1.2652029350859797
Energy: 1.5151538632740318
Energy: 1.09087587493769
Energy: 1.0906337124859253
Energy: 1.4435068234414365
Energy: 1.4316769122925463
Energy: 1.5985700740516282
Energy: 1.7874983463518925
Energy: 1.6504958365470372
Energy: 1.4316480565006378
Energy: 1.1284800875113328
Energy: 1.765656343049328
Energy: 1.6314216702016944
Energy: 1.6500766219489595
Energy: 1.4328194768095852
Energy: 1.128304282985189
Energy: 1.9546690078358382
Energy: 1.096758653523284
Energy: 1.4347237574206781
Energy: 1.650763966451161
Energy: 1.1128574648650789
Energy: 1.7312778174074521
Energy: 1.0956064664477458
Energy: 1.5840574677945256
Energy: 1.646932546724316
Energy: 1.5978368774939358
Energy: 1.6795678349622183
Energy: 1.5649260725540428
Energy: 1.6535560359898955
Energy: 1.0902434795640856
Energy: 1.0913402356048176
Energy: 1.9917948910968535
Energy: 1.5613444944728847
Energy: 1.7533021638227595
Energy: 1.0896781123627293
Energy: 1.09104667178874
Energy: 1.1129882662765087
Energy: 1.427091549962306
Energy: 1.6606533105578236
Energy: 1.0909490549555967
Energy: 1.6526255124176046
Energy: 1.1114239912227455
Energy: 1.4993347182124819
Energy: 1.5145716461893008
Energy: 1.0910733504824266
Energy: 1.6516221553550383
Energy: 1.2647509007011164
Energy: 1.1146295517327072
Energy: 1.561407711850215
Energy: 1.9587103159764507
Energy: 1.4336187468882686
Energy: 1.2635531697128866
Energy: 1.1128548300638892
Energy: 1.5616837667450192
Energy: 1.9580684718736776
Energy: 1.4332795149490773
Energy: 1.0928888975011366
Energy: 1.6211746660778963
Energy: 1.1873890141718282
Energy: 1.6546497687380417
Energy: 1.5601050583967606
Energy: 1.0929914788336137
Energy: 1.6226729403483924
Energy: 1.8509838589077603
Energy: 1.6526400270705135
Energy: 1.5664797808129993

minimum gb energy = 1.0882016158473506 eV
minimum distance =  2.4718336348171 Angstroms
sigma value = 15


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

Energy: 2.01845034369807
Energy: 2.1532822224401067
Energy: 1.83595996595875
Energy: 1.7657813846539598
Energy: 2.0823114866547945
Energy: 1.9417786943580815
Energy: 2.0322331256970263
Energy: 1.8333623748197472
Energy: 1.8789635466829087
Energy: 1.9783217587337185
Energy: 1.7372927848169217
Energy: 1.7822388759674002
Energy: 1.302661320287487
Energy: 1.326831702481812
Energy: 1.8084092821066378
Energy: 1.7551118429648596
Energy: 1.6746905968023609
Energy: 1.3064955292449278
Energy: 1.5131070407477099
Energy: 1.827246410646864
Energy: 1.6593090153552064
Energy: 1.6862568176995396
Energy: 1.5413461457504318
Energy: 1.6820384066725238
Energy: 1.3907923432902043
Energy: 1.6362024442001264
Energy: 1.6965927775471383
Energy: 1.5183674113419867
Energy: 1.653845245012676
Energy: 1.357006898890529
Energy: 1.5714273559515473
Energy: 1.7706943680409175
Energy: 2.089632870876332
Energy: 1.620987732798657
Energy: 1.5537720799602799
Energy: 1.5808817908454325
Energy: 1.7706644132769485
Energy: 2.0722436743192945
Energy: 1.6144894598405872
Energy: 1.4774453483119703
Energy: 1.8632664946583195
Energy: 2.0273332026126063
Energy: 1.8762207951309768
Energy: 1.8651757140550291
Energy: 1.8188067395047594
Energy: 1.8762098433030814
Energy: 2.02313715356329
Energy: 2.1386872733114703
Energy: 1.8039675844951595
Energy: 1.9052246983986854
Energy: 1.6988428380338225
Energy: 1.6039278063847102
Energy: 1.6663095431879176
Energy: 1.791317536494883
Energy: 1.5210025884643643
Energy: 1.7555537405890018
Energy: 1.2850536282521128
Energy: 1.6666767310018207
Energy: 1.7790264061143455
Energy: 1.521077557612023
Energy: 1.6226919673448394
Energy: 1.2838552189676917
Energy: 1.5155273021039453
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Energy: 1.7354426834554257
Energy: 1.5314030531469132
Energy: 1.2747138028450589
Energy: 1.547183641442991
Energy: 1.7631781190249871
Energy: 1.7415058317603893
Energy: 1.697393164776286
Energy: 1.5104807620568594
Energy: 1.7156162953862621
Energy: 1.825734654972853
Energy: 1.8343945085651556
Energy: 1.681228905839369
Energy: 1.4998007729800944
Energy: 1.7131912039538375
Energy: 1.8240998522448721
Energy: 1.9740535036609048
Energy: 1.8303384118665176
Energy: 1.585582286244372
Energy: 1.8985721556122093
Energy: 1.9047326874908153
Energy: 1.8217574654261677
Energy: 1.8216867265271786
Energy: 1.6867480992437924
Energy: 1.8781072405701915
Energy: 1.8943734964276775
Energy: 1.8640794871008326
Energy: 1.8919360490984884
Energy: 1.7147621668677804
Energy: 1.556112601028426
Energy: 1.373895021392928
Energy: 1.5597699532598257
Energy: 1.9654229724932646
Energy: 1.7343057530157824
Energy: 1.5402907872724025
Energy: 1.3920773625961558
Energy: 1.5670680102876373
Energy: 1.7522850995960653
Energy: 1.7531058034388556
Energy: 1.5674897210392729
Energy: 1.291015876651608
Energy: 1.6168234576296434
Energy: 1.8419673007840203
Energy: 1.7148559904143679
Energy: 1.5399369696278933
Energy: 1.2922352364618095
Energy: 1.6630338262886564
Energy: 1.3597753259719887
Energy: 1.7739319162267504
Energy: 1.7252105618261384
Energy: 1.7847764856044759
Energy: 1.7893476303310296
Energy: 1.3682550202493629
Energy: 1.7845491172198196
Energy: 1.7002366339515933
Energy: 1.8032810867391798
Energy: 1.795767099221928
Energy: 1.7641670396638998
Energy: 1.8560424602388494
Energy: 1.8975202820323072
Energy: 1.8807585312646589
Energy: 1.854512830434453
Energy: 1.7621509757525367
Energy: 1.8621633364473797
Energy: 1.9871287302962546
Energy: 1.878921537256349
Energy: 1.8498152127782121
Energy: 1.2802953517628055
Energy: 1.6542559333268663
Energy: 1.8792812641212706
Energy: 1.8107135268917367
Energy: 1.5940575834537403
Energy: 1.281657583156512
Energy: 1.6853295728857625
Energy: 1.9142163737341393
Energy: 1.8198801788432004
Energy: 1.589635619034826
Energy: 1.4527009959809054
Energy: 1.6013502286610821
Energy: 1.5519589958960613
Energy: 1.662745518200554
Energy: 1.6019579742260266
Energy: 1.4733436182238673
Energy: 1.5922462958041526
Energy: 1.5939018362745452
Energy: 1.6867016486956772
Energy: 1.6064678686243279
Energy: 1.7419031160995946
Energy: 1.549999388452882
Energy: 1.419391375890063
Energy: 1.7446699203617022
Energy: 1.7823849439051829
Energy: 1.7229285291885386
Energy: 1.5244844566610105
Energy: 1.5556893067975741
Energy: 1.7824731761563395
Energy: 1.8128453678248162
Energy: 2.011569336937733
Energy: 1.811582056513786
Energy: 1.881080261179982
Energy: 1.8597900810050088
Energy: 1.7754984781379248
Energy: 1.9212496373777126
Energy: 1.7870696169949314
Energy: 1.8259574032842156
Energy: 1.876632863756965
Energy: 1.7757683531868496
Energy: 1.7618359123527823
Energy: 1.6841111581848809
Energy: 1.5330757302966862
Energy: 1.7255208293794655
Energy: 1.6407838255298992
Energy: 1.794079051000736
Energy: 1.6871693855584056
Energy: 1.5782171060461205
Energy: 1.7038243166320748
Energy: 1.652102539642358
Energy: 1.6210706548157714
Energy: 1.8000903877352923
Energy: 1.7061975719133835
Energy: 1.3114148083110855
Energy: 1.3688801011637328
Energy: 1.6320159725329193
Energy: 1.8271343234651454
Energy: 1.677757034120858
Energy: 1.2997248097495515
Energy: 1.413026082446448
Energy: 1.8819337625935169
Energy: 1.7869144426478838
Energy: 1.769833879779981
Energy: 1.6018045190803132
Energy: 1.3763638969270142
Energy: 1.8271111587115427
Energy: 1.8072759750358443
Energy: 1.6886056049175544
Energy: 1.5924217584061375
Energy: 1.3718345323276762
Energy: 1.8712284575250502
Energy: 1.847403001527552
Energy: 1.8848344108120532
Energy: 1.7106278405895634
Energy: 1.955511002907803
Energy: 1.8339989339465188
Energy: 1.8050994504485045
Energy: 1.8619431268322508
Energy: 1.6725952788726632
Energy: 1.9397053888571105
Energy: 1.340108218947431
Energy: 1.528405389701474
Energy: 1.6989311976279866
Energy: 1.612998163557794
Energy: 1.7123219409890742
Energy: 1.367533451931772
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Energy: 1.5921623273226957
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Energy: 1.441715249718651
Energy: 1.3290256122042894
Energy: 1.6665295480921578
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Energy: 1.3547138079966479
Energy: 1.682273312313206
Energy: 1.783537063870683
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Energy: 1.656949040064615
Energy: 1.801633056483544
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Energy: 2.0021295474081655
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Energy: 1.8982468935802121
Energy: 1.8908341936386983
Energy: 1.7431999371866502
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Energy: 1.8248098392031726
Energy: 1.6942921911727655
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Energy: 1.348936789507026
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Energy: 1.8525610363881855
Energy: 1.6935228847888557
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Energy: 1.521342501839187
Energy: 1.6429755084409317
Energy: 1.3834278566192215
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Energy: 1.6500138605374048
Energy: 1.3629556934199234
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Energy: 1.7871094236946452
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Energy: 1.6728952461634092
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Energy: 1.584865819793744
Energy: 1.7845374421072995
Energy: 1.8824502990537453
Energy: 1.652510498393487
Energy: 1.3625189118855678
Energy: 1.8840742804013875
Energy: 2.041571491384454
Energy: 1.8162308719085223
Energy: 1.840778119664398
Energy: 1.7961004016601874
Energy: 1.8868090582530603
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Energy: 1.8110526452394815
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Energy: 1.7949241514087926
Energy: 1.6941612710347174
Energy: 1.7901396370839495
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Energy: 1.7580594427768061
Energy: 1.7513875456992574
Energy: 1.6919662686454293
Energy: 1.828680162940485
Energy: 1.5172948407976505
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Energy: 1.2895039869044147
Energy: 1.5501064244360023
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Energy: 1.4992664528196782
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Energy: 1.9500827575571593
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Energy: 1.8276912962924152
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Energy: 1.8251114490906921
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Energy: 1.8750234864648216
Energy: 1.8163624061520243
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Energy: 1.9129418865331587
Energy: 1.8769480387267925
Energy: 1.7615623264420799
Energy: 1.9463523305861496
Energy: 1.5735620241904633
Energy: 1.5229372486246788
Energy: 1.4220676701088453
Energy: 1.6018094059501151
Energy: 1.92492593584034
Energy: 1.6206117426543913
Energy: 1.555507949488714
Energy: 1.4113993545841392
Energy: 1.6504327258946574
Energy: 1.7759832622326475
Energy: 1.7632342146476088
Energy: 1.541918145489255
Energy: 1.2987051548741744
Energy: 1.5907998183213239
Energy: 1.83848173335401
Energy: 1.7499225508573595
Energy: 1.5206873833267134
Energy: 1.2911555433838584
Energy: 1.5967800867145145
Energy: 1.3568300630923578
Energy: 1.7791936686047152
Energy: 1.7088736554676056
Energy: 1.4776737971358898
Energy: 1.8159728488033542
Energy: 1.3692488226776505
Energy: 1.854105193138166
Energy: 1.6909028314918635
Energy: 1.614359756408823
Energy: 1.7983255748375884
Energy: 1.723370981741172
Energy: 1.8758340680526593
Energy: 1.8820883363141128
Energy: 1.8892684315065236
Energy: 1.8221662133185392
Energy: 1.748765837020574
Energy: 1.9656429417417163
Energy: 2.0089650903641982
Energy: 1.8875587072998057
Energy: 1.8122836639885986
Energy: 1.2838177272946891
Energy: 1.6903984594456098
Energy: 1.9267670836962671
Energy: 1.8507672804879316
Energy: 1.593684002241494
Energy: 1.30445592583038
Energy: 1.6940888193092098
Energy: 1.9515749433231013
Energy: 1.8488009389919258
Energy: 1.5556876624052889
Energy: 1.4282367922303205
Energy: 1.6190798448717185
Energy: 1.5655630459526266
Energy: 1.677081984309981
Energy: 1.5836704001900503
Energy: 1.4803547653033498
Energy: 1.6153269667251264
Energy: 1.641956678872757
Energy: 1.6822837002211848
Energy: 1.5869109785652942
Energy: 1.7794828605652842
Energy: 1.5347261155176188
Energy: 1.4356730804266191
Energy: 1.7093519567538367
Energy: 1.7349492000374231
Energy: 1.7604323874691474
Energy: 1.5009647190027622
Energy: 1.4930746510665747
Energy: 1.785138102861306
Energy: 1.7680597669201439
Energy: 2.022572696661977
Energy: 1.8771860566550427
Energy: 1.781701446520877
Energy: 2.0532219872663884
Energy: 1.7707900715160978
Energy: 2.0145326593788893
Energy: 1.8660075735964632
Energy: 1.7719718584840471
Energy: 1.9925295696831167
Energy: 1.7707360096811358
Energy: 1.8396776139191373
Energy: 1.667178801628453
Energy: 1.5246062037693675
Energy: 1.8147567422202395
Energy: 1.6781877438710167
Energy: 1.855443895803322
Energy: 1.5812467190497856
Energy: 1.531555865992948
Energy: 1.7456487615484728
Energy: 1.6514142058913532
Energy: 1.6133844479668302
Energy: 1.7688631771617978
Energy: 1.7218299758798248
Energy: 1.2983111870194128
Energy: 1.3734566595217297
Energy: 1.6274265984866714
Energy: 1.8040809383432175
Energy: 1.679631023717873
Energy: 1.297003744523843
Energy: 1.411167734614331
Energy: 1.665013687680516
Energy: 1.8292570131106982
Energy: 1.668854040915168
Energy: 1.40920580129266
Energy: 1.3818801259281726
Energy: 1.7813976067423298
Energy: 1.8324564707498174
Energy: 1.641936724103145
Energy: 1.4167050829689363
Energy: 1.3764903090670664
Energy: 1.989609321237815
Energy: 1.7633923795513957
Energy: 1.8822764713046236
Energy: 1.769367119512809
Energy: 1.9559911348010588
Energy: 1.9902133522152285
Energy: 1.7915400247307005
Energy: 1.8793797676648656
Energy: 1.7851076555366503
Energy: 1.9061854124236215
Energy: 1.5537263960640337
Energy: 1.5569545809820695
Energy: 1.7962619909204072
Energy: 1.5158936723621403
Energy: 1.8469375319548746
Energy: 1.485546381775428
Energy: 1.558703999967203
Energy: 1.7937455677039684
Energy: 1.5228995418755147
Energy: 1.849547958194751
Energy: 1.4222644141561374
Energy: 1.2976399325046861
Energy: 1.6697031245410878
Energy: 1.8015140678225219
Energy: 1.5969430001862885
Energy: 1.3758683321852385
Energy: 1.3522438739250935
Energy: 1.7162923871351388
Energy: 1.7840324079963807
Energy: 1.6115759175407582
Energy: 1.554464313301844
Energy: 1.507745971378018
Energy: 1.5420647159461753
Energy: 1.5158795704949632
Energy: 1.7537829538773755
Energy: 1.4395335480049902
Energy: 1.6158520212269316
Energy: 1.3558189565652432
Energy: 1.7842383965395583
Energy: 1.7679150665179646
Energy: 2.035031181683369
Energy: 2.089556019484209
Energy: 1.8101695578708434
Energy: 1.7726204158406895
Energy: 1.9960132269017088
Energy: 1.9512269752058167
Energy: 2.0036825228947226
Energy: 1.8037344459874194
Energy: 1.8719065164131323
Energy: 2.003262770032119

minimum gb energy = 1.2747138028450589 eV
minimum distance =  2.43865991521636 Angstroms
sigma value = 437


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

Energy: 1.5319331322769425
Energy: 2.0894177652971635
Energy: 1.870339416153103
Energy: 1.786660873203432
Energy: 2.0418711882224643
Energy: 1.532906351918472
Energy: 1.9382471451798284
Energy: 1.8514893968577293
Energy: 1.81758843797155
Energy: 1.9856258275520153
Energy: 1.5411822198066347
Energy: 1.682848561262986
Energy: 1.3888478217647735
Energy: 1.5002998871999276
Energy: 1.703730431792604
Energy: 1.6186246751349265
Energy: 1.697812830104298
Energy: 1.3821429117324855
Energy: 1.6595473488278358
Energy: 1.7554093754867923
Energy: 1.4082725410972121
Energy: 1.4648913503334824
Energy: 1.7319757808833014
Energy: 1.6060944616792643
Energy: 1.3029020754299525
Energy: 1.4303984296917867
Energy: 1.4736592896775735
Energy: 1.7024068147590496
Energy: 1.5803889701742606
Energy: 1.3046488997256995
Energy: 1.3904572371178137
Energy: 1.6686892121632957
Energy: 1.8665180929930332
Energy: 1.5561155390981831
Energy: 1.3192130534097906
Energy: 1.3877994401002838
Energy: 1.7816672043204858
Energy: 1.8870675039429772
Energy: 1.573064485938097
Energy: 1.3177896626385324
Energy: 1.8230315490767786
Energy: 1.8677206979051717
Energy: 1.7848570177380534
Energy: 1.749021614616045
Energy: 1.7538824163492073
Energy: 1.810151902999651
Energy: 1.8474214081161677
Energy: 1.8361459529912583
Energy: 1.748700475747161
Energy: 1.9298448403260404
Energy: 1.890178073623884
Energy: 1.6999695951664635
Energy: 1.664565876214444
Energy: 1.821063713378081
Energy: 1.535132299774488
Energy: 1.8185535511103479
Energy: 1.5086970505093449
Energy: 1.6539540664984989
Energy: 1.737058959085257
Energy: 1.5350245672054277
Energy: 1.5206753242312427
Energy: 1.3900382294483435
Energy: 1.3222040501612369
Energy: 1.669767469577786
Energy: 1.6808882081498464
Energy: 1.509801291948397
Energy: 1.39082291240407
Energy: 1.3238151086602377
Energy: 1.737403914386744
Energy: 1.673020403354637
Energy: 1.584819213011847
Energy: 1.5088987588531355
Energy: 1.722524601814524
Energy: 1.4884355126108268
Energy: 1.6320720252113259
Energy: 1.5833759115892363
Energy: 1.5085563094505932
Energy: 1.6743900599944168
Energy: 1.4872718572243546
Energy: 1.654206364856567
Energy: 1.735881632295596
Energy: 1.7971015229218534
Energy: 1.7371801908549143
Energy: 1.7179797633289327
Energy: 1.6191849481283587
Energy: 1.7236500918580817
Energy: 1.7982140960226176
Energy: 1.7335455196798395
Energy: 1.7192136807793479
Energy: 1.6722109237615481
Energy: 1.9726699541323693
Energy: 1.9025681370833216
Energy: 1.7767327389288716
Energy: 1.6972575537089756
Energy: 1.7059090557516186
Energy: 2.0237308781848204
Energy: 1.814470723126121
Energy: 1.8043575348379137
Energy: 1.6766410559812834
Energy: 1.75629880236686
Energy: 1.2744777051218086
Energy: 1.488878707172129
Energy: 1.6467379177386432
Energy: 1.6429735776340983
Energy: 1.7326095987389083
Energy: 1.3391934460438903
Energy: 1.5366518206257038
Energy: 1.6416388975953162
Energy: 1.6427811490164228
Energy: 1.7623637002510748
Energy: 1.2785292596782074
Energy: 1.3145938370371493
Energy: 1.6598027246138527
Energy: 1.8089351597664345
Energy: 1.531238758034912
Energy: 1.2921874520583276
Energy: 1.3407969104746715
Energy: 1.6788781716285308
Energy: 1.7851787712842848
Energy: 1.5073955378421076
Energy: 1.4162496082597036
Energy: 1.679511583726678
Energy: 1.6081780310620897
Energy: 1.5992061096813899
Energy: 1.6722741078247856
Energy: 1.3158162250812875
Energy: 1.6814424788756321
Energy: 1.497879811556259
Energy: 1.6016508269547185
Energy: 1.6265188904215793
Energy: 2.0466070819832702
Energy: 2.0754312082218522
Energy: 1.876854120339991
Energy: 1.8465147508546236
Energy: 1.894080678066685
Energy: 2.0627461889712033
Energy: 2.0405795017605706
Energy: 1.8675990702193934
Energy: 1.8190354491706882
Energy: 1.9678200011907685

minimum gb energy = 1.2744777051218086 eV
minimum distance =  2.41425723971666 Angstroms
sigma value = 33