Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
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=[1.475574238557954e-21, 2.72985263607456e-20, 4.9647448446075e-20, 6.895640058605279e-20, 1.0447393286155498e-19, 1.5573220969545358e-19, 2.2250868875328598e-19, 3.4502072724872997e-19, 4.70389446682596e-19, 5.834518473907079e-19, 6.764165444019241e-19, 7.526641304139839e-19, 8.18148293798832e-19, 8.76962595856338e-19, 9.29055766934214e-19, 9.73665170954676e-19, 1.010173969913634e-18, 1.0385100658625578e-18, 1.059114057375798e-18, 1.0733109445296719e-18, 1.082757377963736e-18, 1.0886309575039798e-18, 1.091745588880476e-18, 1.092684464388e-18, 1.091644651752534e-18, 1.087994893380282e-18, 1.081392323471568e-18, 1.071758435371326e-18, 1.05895063535913e-18, 1.042722188233344e-18, 1.0226709476588338e-18, 9.97702626994578e-19, 9.660436167067378e-19, 9.255005369833679e-19, 8.73373720196178e-19, 8.063706933622979e-19, 7.20737556628266e-19, 6.11203148868222e-19, 4.696364236646159e-19, 2.83543607625516e-19, 3.38062474127268e-20, -3.05890767316548e-19, -7.681956307039799e-19, -1.3917723897165838e-18, -2.2275221960165398e-18, -3.34645031366946e-18, -4.88785638794184e-18, -7.0981231416102e-18, -1.034400482796348e-17, -1.4992752375047158e-17, -2.1454426870567197e-17, -3.10817460466098e-17, -4.68854561467224e-17, -7.327042139076119e-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: 0.01963190804653094
Energy: 0.12370784078604807
Energy: 0.4590388140613427
Energy: 0.45060880307729506
Energy: 0.12345531955890852
Energy: 0.1237893341010721
Energy: 0.12407643993822048
Energy: 0.4480389328140944
Energy: 0.41932338386188384
Energy: 0.02085417576270624
Energy: 0.1231533112284023
Energy: 0.4485773952430629
Energy: 0.1233510484119069
Energy: 0.020189604598784175
Energy: 0.020948839898197333
Energy: 0.4557079062252061
Energy: 0.44684748661967866
Energy: 0.23133449913309279
Energy: 0.46097001748166205
Energy: 0.12338498784046786
Energy: 0.12356429765261756
Energy: 0.5368925241658123
Energy: 0.1230734116657262
Energy: 0.02057798937718213
Energy: 0.46439770750532294
Energy: 0.1229210699597796
Energy: 0.02046192193689898
Energy: 0.020264831305533478
Energy: 0.12279459562836711
Energy: 0.47179984976296296
Energy: 0.020476983049611062
Energy: 0.12441412905239997
Energy: 0.5389610316862241
Energy: 0.4465629404722882
Energy: 0.5312344012509814
Energy: 0.12312512879094675
Energy: 0.021053896943793324
Energy: 0.02036623333414356
Energy: 0.44835147230315137
Energy: 0.020768265347791415
Energy: 0.02075545759409659
Energy: 0.52222189010433
Energy: 0.4865910443811785
Energy: 0.021332725761136977
Energy: 0.019994385863672467
Energy: 0.43133694892202895
Energy: 0.4223394503531025
Energy: 0.45509389179082244
Energy: 0.4544587903944191
Energy: 0.0197987358268699
Energy: 0.12338794007828051
Energy: 0.45191637355278985
Energy: 0.12322763577560568
Energy: 0.020286806245908548
Energy: 0.02031320007813332
Energy: 0.48796354624364563
Energy: 0.3210109378787533
Energy: 0.021067810600966675
Energy: 0.12282609839735902
Energy: 0.472133516469875
Energy: 0.020689050995618696
Energy: 0.12280397101599119
Energy: 0.45637498761554096
Energy: 0.13037116666035797
Energy: 0.4463863630380048
Energy: 0.17182314250709135
Energy: 0.020631184119672203
Energy: 0.02087339743958765
Energy: 0.12295763545625771
Energy: 0.44694748421859637

minimum gb energy = 0.01963190804653094 eV
minimum distance =  2.68524813830228 Angstroms
sigma value = 3


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

Energy: 3.2493514311827827
Energy: 2.342301241870913
Energy: 2.3123666224352095
Energy: 2.1672697288257847
Energy: 2.221039154442113
Energy: 2.3703453905864547
Energy: 2.3042548211835268
Energy: 2.2938243984004534
Energy: 2.2805171775040303
Energy: 2.2702269305769125
Energy: 2.1809727365564497
Energy: 2.306146802901691
Energy: 2.3365262479945494
Energy: 2.399690191749833
Energy: 2.362979966985473
Energy: 2.307584335839453
Energy: 2.298978080244017
Energy: 2.371025116461306
Energy: 2.333863247659884
Energy: 2.392314007252391
Energy: 2.226338929514057
Energy: 2.2799998579933627
Energy: 2.325746012820406
Energy: 2.3130427721120252
Energy: 2.249059984563262
Energy: 2.386866636829452
Energy: 2.52511346049056
Energy: 2.2211958024531073
Energy: 2.3878396222540528
Energy: 2.241962293806994
Energy: 2.50927333389498
Energy: 2.2715359594506386
Energy: 2.4961629311813156
Energy: 2.4157590923822663
Energy: 2.2551319661330487
Energy: 2.342594156467073
Energy: 2.3527781036506283
Energy: 2.5450274210391632
Energy: 2.3348382120624405
Energy: 2.416016081365307
Energy: 2.4251801854437445
Energy: 2.373241401391191
Energy: 2.513907285271504
Energy: 2.5254899494955705
Energy: 2.2286843194325936
Energy: 2.314651862015246
Energy: 2.320199254040528
Energy: 2.18839048983162
Energy: 2.2735633930529495
Energy: 2.182309596172529
Energy: 2.1926153217004676
Energy: 2.307292431627429
Energy: 2.281876283070708
Energy: 2.2181628368552535
Energy: 2.500651814742403
Energy: 2.302774153261931
Energy: 2.312975201051558
Energy: 2.2191074083089597
Energy: 2.311648673198181
Energy: 2.1941040541663854
Energy: 2.2072025797069585
Energy: 2.189340477312016
Energy: 2.1751782531885757
Energy: 2.0864732865113336
Energy: 2.4052863529725763
Energy: 2.211734461176766
Energy: 2.239016055149303
Energy: 2.3690905564933002
Energy: 2.174375108339941
Energy: 2.1826470464755676
Energy: 2.2443241781866536
Energy: 2.1994721558828205
Energy: 2.110069313788041
Energy: 2.1116371975618384
Energy: 2.1250525089937584
Energy: 2.1603976645961254
Energy: 2.1563563708368547
Energy: 2.4325595711919332
Energy: 2.4288566741521582
Energy: 2.1744142594198927
Energy: 2.3293843895341584
Energy: 2.393910671850712
Energy: 2.0977065495592666
Energy: 2.1343593460032872
Energy: 2.1386598766737466
Energy: 2.1651325613231887
Energy: 2.115559145998427
Energy: 2.2301060146334604
Energy: 2.2505449432535705
Energy: 2.1487009539660185
Energy: 2.1920342010357596
Energy: 2.3284105867306124
Energy: 2.2275561418988863
Energy: 2.197836620449375
Energy: 2.179748956126421
Energy: 2.120050199446473
Energy: 2.1140197363538595
Energy: 2.21087832057621
Energy: 2.159214560238992
Energy: 2.180377349901375
Energy: 2.164797544107678
Energy: 2.2362339051009217
Energy: 2.372888921982307
Energy: 2.2643721236073673
Energy: 2.5479265554844757
Energy: 2.1224452083651917
Energy: 2.183972096574668
Energy: 2.1144690460907363
Energy: 2.4161740577335475
Energy: 2.1614755856658854
Energy: 2.2743873464327664
Energy: 2.2402875320074584
Energy: 2.292005488205575
Energy: 2.2811844011717284
Energy: 2.2848473461361327
Energy: 2.4757314116829754
Energy: 2.326105201974266
Energy: 2.4304723996722633
Energy: 2.385182430553044
Energy: 2.1775732367462006
Energy: 2.3244452165882437
Energy: 2.234168651798467
Energy: 2.3190221402101816
Energy: 2.3279528314093083
Energy: 2.253756698252265
Energy: 2.4039454288152116
Energy: 2.510529116749094
Energy: 2.3347833425998736
Energy: 2.2690855783269406
Energy: 2.3391600048416454
Energy: 2.542709599397084
Energy: 2.3206376564268885
Energy: 2.268844255910283
Energy: 2.384715249178477
Energy: 2.2521730220676046
Energy: 2.2567508119428816
Energy: 2.331516342574461
Energy: 2.18935303968035
Energy: 2.2464885801615075
Energy: 2.518917829532501
Energy: 2.3301269925757526
Energy: 2.2851947207281196
Energy: 2.2856937653560254
Energy: 2.32685838768108
Energy: 2.600928895277322
Energy: 2.344810124200139
Energy: 2.2906838198667536
Energy: 2.2456031514988823
Energy: 2.176841883987995
Energy: 2.4085613725650767
Energy: 2.3703119658301133
Energy: 2.292591598484119
Energy: 2.366973739599105
Energy: 2.3023034781212184
Energy: 2.3796065997692324
Energy: 2.365967247818156
Energy: 2.310455760138104
Energy: 2.3274828944828774
Energy: 2.508624509932805
Energy: 2.3521673657000197
Energy: 2.5346130729215406
Energy: 2.529745272431002
Energy: 2.2192500523940666
Energy: 2.32573879542602
Energy: 2.5182806702925133
Energy: 2.243846565276717
Energy: 2.251465643788407
Energy: 2.3218094294081326
Energy: 2.351244468986973
Energy: 2.278566552498638
Energy: 2.334505381880839
Energy: 2.211465647228132
Energy: 2.469941468924224
Energy: 2.3334336832578813
Energy: 2.525539534354063
Energy: 2.3112954559681937
Energy: 2.277802806517881
Energy: 2.506424252708896
Energy: 2.227740500914799
Energy: 2.242655596462713
Energy: 2.3389785474762714
Energy: 2.348307061481394
Energy: 2.374086512880018
Energy: 2.393103785440998
Energy: 2.179864325522601
Energy: 2.5805089399683494
Energy: 2.3213036887561396
Energy: 2.5503661257732912
Energy: 2.4760658034546403
Energy: 2.2180420073978775
Energy: 2.2683294444392192
Energy: 2.297464989791663
Energy: 2.225079805514651
Energy: 2.266672652168239
Energy: 2.210606089363075
Energy: 2.4011215677452973
Energy: 2.196815114746698
Energy: 2.313899147370276
Energy: 2.2204159408104123
Energy: 2.446777304222164
Energy: 2.235800968390628
Energy: 2.2176611561399713
Energy: 2.3726959275782176
Energy: 2.1717148722153827
Energy: 2.1856834121251474
Energy: 2.142896250920216
Energy: 2.1916478084731357
Energy: 2.1921365935239416
Energy: 2.114897697858472
Energy: 2.4434199384379505
Energy: 2.2196822529320306
Energy: 2.1499716356235683
Energy: 2.4287568298887816
Energy: 2.416053695174269
Energy: 2.184390037036161
Energy: 2.1956107916178986
Energy: 2.212882306207756
Energy: 2.1030709968973076
Energy: 2.141641047489717
Energy: 2.137851746385385
Energy: 2.157716700267255
Energy: 2.110930291220494
Energy: 2.25656572646586
Energy: 2.1870595104310597
Energy: 2.145276677669391
Energy: 2.2209747457992353
Energy: 2.3468323586624247
Energy: 2.1306515435746927
Energy: 2.121539424147715
Energy: 2.1750424454306962
Energy: 2.1232419236193114
Energy: 2.1115578899008014
Energy: 2.1798993900537815
Energy: 2.169679220496208
Energy: 2.1786305630935434
Energy: 2.3203055246455904
Energy: 2.3312206311152557
Energy: 2.1364871584736385
Energy: 2.159295638046885
Energy: 2.193293499406652
Energy: 2.4963758215083955
Energy: 2.181667645635921
Energy: 2.113643818035357
Energy: 2.262795405162093
Energy: 2.161814712536751
Energy: 2.2037554335547105
Energy: 2.236283119616701
Energy: 2.32033504577591
Energy: 2.264011412080605
Energy: 2.428341462338865
Energy: 2.421976674081077
Energy: 2.329189972724087
Energy: 2.318410235946205
Energy: 2.3988880891697533
Energy: 2.233456541290635
Energy: 2.257813205152352
Energy: 2.239210386650591
Energy: 2.292171410710831
Energy: 2.2729312326495816
Energy: 2.3071141111843905
Energy: 2.4031750088794324
Energy: 2.5063586103869837
Energy: 2.5075804304863523
Energy: 2.263114433421842
Energy: 2.3105386681276445
Energy: 2.3304955560661478
Energy: 2.36552173355915
Energy: 2.316493670563345
Energy: 2.290805858249122
Energy: 2.2190692954813107
Energy: 2.2313420315742127
Energy: 2.3365454523671914
Energy: 2.225058708551593
Energy: 2.263460668487877
Energy: 2.5397243643335012
Energy: 2.5301408276039496
Energy: 2.316224165793004
Energy: 2.356666644187676
Energy: 2.3338391881083913
Energy: 2.261699659977724
Energy: 2.3165292606793217
Energy: 2.348676711031504
Energy: 2.1956382074224834
Energy: 2.2275480526457945
Energy: 2.524226206060177
Energy: 2.3339955990689853
Energy: 2.3711870722605064
Energy: 2.358974833178797
Energy: 2.319469512586656
Energy: 2.3572289866213034

minimum gb energy = 2.0864732865113336 eV
minimum distance =  2.45994198922674 Angstroms
sigma value = 75


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

Energy: 3.090813675025478
Energy: 2.2329265092771653
Energy: 2.3376224901914626
Energy: 2.455152298017241
Energy: 2.46372410009699
Energy: 2.292368113448369
Energy: 2.2083883720019135
Energy: 2.4944191777625555
Energy: 2.6221985530446332
Energy: 2.515153915729801
Energy: 2.3045305109592205
Energy: 2.4995389273295303
Energy: 2.5659852854492087
Energy: 2.568098311125698
Energy: 2.2590131566747758
Energy: 2.6001213749020966
Energy: 2.2248185646394845
Energy: 2.253644719817639
Energy: 2.2772041108180816
Energy: 2.4302831804558997
Energy: 2.422935610006315
Energy: 2.2918515598906635
Energy: 2.3388391811777005
Energy: 2.2824240893167627
Energy: 2.3809253822969216
Energy: 2.477181297918526
Energy: 2.3993466449105028
Energy: 2.5580552719924117
Energy: 2.4415552601755683
Energy: 2.3735869582761477
Energy: 2.5490329733806543
Energy: 2.468141639975031
Energy: 2.368093050481253
Energy: 2.3571034874800865
Energy: 2.3443096011116134
Energy: 2.354729298690895
Energy: 2.253075444570505
Energy: 2.4553997986228713
Energy: 2.5370108390034614
Energy: 2.4601061947247675
Energy: 2.455598127505828
Energy: 2.411054376699259
Energy: 2.324653201460529
Energy: 2.336850771912794
Energy: 2.33176470545475
Energy: 2.285185540822485
Energy: 2.2075008024379734
Energy: 2.251195306779688
Energy: 2.2322716699015355
Energy: 2.2957809449337243
Energy: 2.2060328162263585
Energy: 2.4878643160871996
Energy: 2.352441614570861
Energy: 2.302903563879783
Energy: 2.3156068332851643
Energy: 2.193144808053583
Energy: 2.2034168532427696
Energy: 2.375712146132479
Energy: 2.3057511639272477
Energy: 2.2383675121896895
Energy: 2.250193298317084
Energy: 2.3333102895424767
Energy: 2.340182372677392
Energy: 2.3413005133996987
Energy: 2.642047310585155
Energy: 2.2341047729461323
Energy: 2.268010694576914
Energy: 2.347170790607118
Energy: 2.3808964583819896
Energy: 2.20200972108182
Energy: 2.385126393339767
Energy: 2.3343610827920633
Energy: 2.333237143662776
Energy: 2.3351578885145683
Energy: 2.4392497636474064
Energy: 2.304319422790736
Energy: 2.4869854996229948
Energy: 2.543960347963343
Energy: 2.53309898169844
Energy: 2.271608304040188
Energy: 2.2870728203480932
Energy: 2.302714430379006
Energy: 2.343906201192164
Energy: 2.373708443199313
Energy: 2.443438619964882
Energy: 2.499094204639621
Energy: 2.5094871905013796
Energy: 2.48724710912933
Energy: 2.6220178736587623
Energy: 2.2543232052385145
Energy: 2.4984760002665722
Energy: 2.557941448440597
Energy: 2.346893282882686
Energy: 2.371311165317027
Energy: 2.387442091965081
Energy: 2.420611029241197
Energy: 2.4742160331847853
Energy: 2.269785791320291
Energy: 2.210001901059002
Energy: 2.4750947772134633
Energy: 2.2685720814026085
Energy: 2.1860056939627865
Energy: 2.4725740872799356
Energy: 2.49707067178662
Energy: 2.5230748673053918
Energy: 2.4251186845962125
Energy: 2.3713620326518097
Energy: 2.253974161791767
Energy: 2.2143725574177537
Energy: 2.3669655573066817
Energy: 2.4117997644987055
Energy: 2.3511473886040264
Energy: 2.2945507498016497
Energy: 2.36353171663297
Energy: 2.260520291029427
Energy: 2.5731323308814242
Energy: 2.4727264277301826
Energy: 2.5836637757154066
Energy: 2.6352804701509527
Energy: 2.2420150884801764
Energy: 2.4431262250264414
Energy: 2.355108570780437
Energy: 2.2880991225170737
Energy: 2.339645162630415
Energy: 2.381330095003273
Energy: 2.273973240851735
Energy: 2.4543196488526067
Energy: 2.4134354012765615
Energy: 2.1567406880312263
Energy: 2.4805942350073824
Energy: 2.5247437441965412
Energy: 2.506581488207697
Energy: 2.5193545177983863
Energy: 2.412743237851886
Energy: 2.3475000876281316
Energy: 2.4496924537504494
Energy: 2.3274444739079514
Energy: 2.2687031653928535
Energy: 2.2677623413302586
Energy: 2.6508082553206216
Energy: 2.263369282680644
Energy: 2.2036616470030923
Energy: 2.5981681903482343
Energy: 2.3413327007292573
Energy: 2.349681516845923
Energy: 2.3342526704320297
Energy: 2.3368872758394184
Energy: 2.2458815397683067
Energy: 2.2161087181935124
Energy: 2.2198430800546864
Energy: 2.4271009850385954
Energy: 2.2420107828586273
Energy: 2.29934141913691
Energy: 2.4099413374504697
Energy: 2.367179380645415
Energy: 2.5012602852854937
Energy: 2.320084125326404
Energy: 2.202952610421249
Energy: 2.2877764265379823
Energy: 2.3412658388645466
Energy: 2.195391341624105
Energy: 2.191725190161755
Energy: 2.322768584807573
Energy: 2.343188091514746
Energy: 2.3368362556155753
Energy: 2.3605057739531223
Energy: 2.568724474089058
Energy: 2.2016823086920216
Energy: 2.2337123199807882
Energy: 2.3910506480042693
Energy: 2.290818010697837
Energy: 2.2407170256594133
Energy: 2.330908535739606
Energy: 2.2772672251525674
Energy: 2.3333874829749863
Energy: 2.4283235933667617
Energy: 2.4481218442473205
Energy: 2.453279275041899
Energy: 2.4889836458378656
Energy: 2.6115102080984114
Energy: 2.5965467129133417
Energy: 2.268926657985319
Energy: 2.3109178900409524
Energy: 2.3059911730542315
Energy: 2.3656724663633764
Energy: 2.4607106181962455
Energy: 2.318874514797227
Energy: 2.495298613336117
Energy: 2.496219483197375
Energy: 2.497522136345085
Energy: 2.477872143651803
Energy: 2.530373573845152
Energy: 2.4803677488215277
Energy: 2.4843086452275984
Energy: 2.395844660902362
Energy: 2.4369845408209394
Energy: 2.514301748737138
Energy: 2.376758315967962
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minimum gb energy = 2.1166669388846553 eV
minimum distance =  2.39380815174697 Angstroms
sigma value = 105


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

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Energy: 2.3587798189674207
Energy: 2.6379497560171106
Energy: 2.603194474086553
Energy: 2.4160370946259087
Energy: 2.5318507231112704
Energy: 2.5224196971243957
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Energy: 2.476477100155932
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Energy: 2.4010638730838134
Energy: 2.330833605760252
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Energy: 2.3047979543768724
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Energy: 2.3318845600937865
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Energy: 2.208634709937397
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Energy: 2.2894634957917788
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Energy: 2.5672044189543892
Energy: 2.329101436702944
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Energy: 2.2178234459514408
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Energy: 2.3527487124734883
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Energy: 2.4104919575258528
Energy: 2.4149061248087587
Energy: 2.48509792324852
Energy: 2.523579123114212
Energy: 2.3168841112649314
Energy: 2.2200767957687852
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Energy: 2.375547453099126
Energy: 2.4834701374267154
Energy: 2.346264264638692
Energy: 2.4639102160553366
Energy: 2.504587329664281
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Energy: 2.229733257778644
Energy: 2.394190398050298
Energy: 2.4026584733253817
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Energy: 2.376114087537819
Energy: 2.4001868589017215
Energy: 2.345155900862315
Energy: 2.4076250449408456
Energy: 2.345173476843717
Energy: 2.4189836921004875
Energy: 2.418584881171953
Energy: 2.622691663019453
Energy: 2.4197217519264704

minimum gb energy = 2.100538367872891 eV
minimum distance =  2.34258167096646 Angstroms
sigma value = 165


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

Energy: 2.9528931803272895
Energy: 2.1734840148567693
Energy: 2.260781377552903
Energy: 2.254615611285501
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Energy: 2.245758696694301
Energy: 2.2056077822006275
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Energy: 2.30737063967988
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Energy: 2.3729916914747893
Energy: 2.258825063844963
Energy: 2.2845851284526604
Energy: 2.2023488680416605
Energy: 2.131186127682429
Energy: 2.2377158107775346
Energy: 2.2803873471881495
Energy: 2.131193631225747
Energy: 2.2942743810049366
Energy: 2.14144342201917
Energy: 2.213151772129682
Energy: 2.2787318944465387
Energy: 2.287812586125981
Energy: 2.1785637223937675
Energy: 2.1824174584129827
Energy: 2.1847272655210253
Energy: 2.132060970913339
Energy: 2.2016409168143256
Energy: 2.31204452468489
Energy: 2.1541115917725002
Energy: 2.2596940791520717
Energy: 2.47228621473417
Energy: 2.397192153296567
Energy: 2.173997066719548
Energy: 2.270003578217368
Energy: 2.2667622613762743
Energy: 2.2456195670339487
Energy: 2.2473451730558094
Energy: 2.314872777922136
Energy: 2.444229264682761
Energy: 2.2002156087594766
Energy: 2.29938370247037
Energy: 2.5048842039527988
Energy: 2.3209040662434663
Energy: 2.481652334460689
Energy: 2.2396431002864206

minimum gb energy = 2.131186127682429 eV
minimum distance =  2.38808996698234 Angstroms
sigma value = 41


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

Energy: 3.9211933003888797
Energy: 2.4867987646928538
Energy: 2.3732011234128523
Energy: 2.2609167216461747
Energy: 2.2362427402482346
Energy: 2.61739901976917
Energy: 2.5367618546756803
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Energy: 2.362224953235093
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Energy: 2.1393320948263015
Energy: 2.2239951972601943
Energy: 2.2355664329153284
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Energy: 2.41995139239129
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Energy: 2.35226608243537
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Energy: 2.1235908259950182
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Energy: 2.3317790121542634
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Energy: 2.3731675296369565
Energy: 2.3327308211141795
Energy: 2.12223993850742
Energy: 2.1148063670990758
Energy: 2.2973901357416966
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Energy: 2.190004946690238
Energy: 2.3235253060593846
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Energy: 2.328849721678922
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Energy: 2.1493521409887872
Energy: 2.165263021297788
Energy: 2.1698751428240044
Energy: 2.5121561948655193
Energy: 2.2096463887809885
Energy: 2.1590980825535455
Energy: 2.1673572493877336
Energy: 2.3431126126776594
Energy: 2.226999514024882
Energy: 2.4258919772211582
Energy: 2.320896261441283
Energy: 2.302173756601932
Energy: 2.412081660026571
Energy: 2.3974814649690948
Energy: 2.211381563904975
Energy: 2.158733574353855
Energy: 2.1450526433308097
Energy: 2.2040509743642374
Energy: 2.28857983889884
Energy: 2.4681274292015045
Energy: 2.458284350857062
Energy: 2.38330381567742
Energy: 2.3793289173560215
Energy: 2.333413013391885
Energy: 2.240422235843505
Energy: 2.1562548444859595
Energy: 2.3116641952878916
Energy: 2.313506468066207
Energy: 2.229903428205582
Energy: 2.2665654022250115
Energy: 2.363698319667992
Energy: 2.5006989418696604
Energy: 2.4054048331491455
Energy: 2.166400470628441
Energy: 2.2011113262404285
Energy: 2.340384314275247
Energy: 2.3114226534675306
Energy: 2.294761286752488
Energy: 2.305648088616817
Energy: 2.327308144604652
Energy: 2.5369395774845187
Energy: 2.3026730424988675
Energy: 2.4310840303211134
Energy: 2.4152810556072755

minimum gb energy = 1.9483136589689207 eV
minimum distance =  2.34753580955214 Angstroms
sigma value = 185


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

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Energy: 2.668520985675483
Energy: 2.5481560091758944
Energy: 2.373107587810859
Energy: 2.3798837160804798
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Energy: 2.339808212280242
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Energy: 2.3572514564639353
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Energy: 2.5542988678370397
Energy: 2.3915991309025437
Energy: 2.3876080259170753
Energy: 2.5214059630899084
Energy: 2.526862399328002
Energy: 2.5319101224490006
Energy: 2.567919470244681
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Energy: 2.539996822384615
Energy: 2.6310356484895343
Energy: 2.450501855255615
Energy: 3.0230089566915552
Energy: 2.5541934464977474
Energy: 2.5178376213907248
Energy: 2.4920841890668797
Energy: 2.5407635947349037
Energy: 2.3356902219787594
Energy: 2.2975710768967272
Energy: 2.3924916505154785
Energy: 2.4038567598025287
Energy: 2.3729485776964854
Energy: 2.3945738363048252
Energy: 2.514232562878186
Energy: 2.5797538395301007
Energy: 2.313671642756598
Energy: 2.5263117499292576
Energy: 2.331835533549291
Energy: 2.2777455368080277
Energy: 2.304374990324131
Energy: 2.3108921613684226
Energy: 2.3421384793014086
Energy: 2.394349334810237
Energy: 2.5321393396208025
Energy: 2.5012841866016533
Energy: 2.57864375082175
Energy: 2.5970659592159704
Energy: 2.3878769663391863
Energy: 2.3455908028175787
Energy: 2.38520710006222
Energy: 2.346567945856877
Energy: 2.305741072115933
Energy: 2.2866385420971445
Energy: 2.3960037799560667
Energy: 2.426456813751301
Energy: 2.544940483872812
Energy: 2.545427831259029
Energy: 2.460522170629293
Energy: 2.5066594047327553
Energy: 2.5230639732807014
Energy: 2.3602255556191687
Energy: 2.3239493594260385
Energy: 2.377723665665007
Energy: 2.4012589476936
Energy: 2.4152972149392924
Energy: 2.326126327360285
Energy: 2.515602172099252

minimum gb energy = 2.2242125182565684 eV
minimum distance =  2.34075745635899 Angstroms
sigma value = 33


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

Energy: 2.6281473447110133
Energy: 2.380930728231273
Energy: 2.338529042176029
Energy: 2.7105761642669126
Energy: 2.3007440411476217
Energy: 2.387344327477906
Energy: 2.369153133689817
Energy: 2.5944681623753842
Energy: 2.6514124555051635
Energy: 2.448596744598977
Energy: 2.187073439765906
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Energy: 2.498268805027104
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Energy: 2.4399840916949107
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Energy: 2.279254464993247
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Energy: 2.2257473552279574
Energy: 2.340298384649792
Energy: 2.5738449263921375
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Energy: 2.348463341427642
Energy: 2.3070871432414273
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Energy: 2.4588223347740334
Energy: 2.5479257047245754
Energy: 2.1764540545096076
Energy: 2.3156295078179907
Energy: 2.367702862976162
Energy: 2.4890753178604554
Energy: 2.441551166083199
Energy: 2.4055652443754103
Energy: 2.376653324593774
Energy: 2.371777863327308
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Energy: 2.2195389644453027
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Energy: 2.4694834028941672

minimum gb energy = 2.1187682415260807 eV
minimum distance =  2.37571259322166 Angstroms
sigma value = 219


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

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Energy: 1.9792688197759614
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Energy: 2.1237846057440213
Energy: 2.0067846018659066
Energy: 2.0027422286803263
Energy: 2.197417407532523
Energy: 2.045308204960303

minimum gb energy = 1.9788374236995412 eV
minimum distance =  2.4569848793321 Angstroms
sigma value = 15


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

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minimum gb energy = 2.25224208512269 eV
minimum distance =  2.46692506154023 Angstroms
sigma value = 293


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

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Energy: 2.331618946194354
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Energy: 2.4155894414074592
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Energy: 2.445210045015718
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Energy: 2.3211485558037603
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Energy: 2.424114175091542
Energy: 2.4362432815884594
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Energy: 2.3582135940421165
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Energy: 2.538413677577368
Energy: 2.5511773209876947
Energy: 2.564295202814623
Energy: 2.362759757133891
Energy: 2.3053633084082668
Energy: 2.6319969653583106
Energy: 2.5739374079326045
Energy: 2.6156599231271818
Energy: 2.5953731185483333
Energy: 2.5329323580020655
Energy: 2.6857719238898152
Energy: 2.550382559776933
Energy: 2.305788474881988
Energy: 2.30966354734944
Energy: 2.3144626322024355
Energy: 2.471516855522719
Energy: 2.410812157803449
Energy: 2.4272710827284594
Energy: 2.7043596915405517
Energy: 2.5055388612669947
Energy: 2.530288083569127
Energy: 2.400973352936701
Energy: 2.248374156848354
Energy: 2.2867260644773095
Energy: 2.317847059173371
Energy: 2.548267277010099
Energy: 2.464057724792413
Energy: 2.419397334821093
Energy: 2.6426959781233452
Energy: 2.349734458770771
Energy: 2.4021819822692176
Energy: 2.36614270087263
Energy: 2.346838649321028
Energy: 2.2792543573969604
Energy: 2.3854750741353627
Energy: 2.876406632175243
Energy: 2.492552668283957
Energy: 2.5864536951782493
Energy: 2.3883206108328037

minimum gb energy = 2.248374156848354 eV
minimum distance =  2.45462968131198 Angstroms
sigma value = 293


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

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Energy: 2.1873203561407473
Energy: 2.185001687035093
Energy: 2.7458937352503274
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Energy: 2.396819500743318
Energy: 2.1687521464670705
Energy: 2.2978710615870583
Energy: 2.2008066339256454
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Energy: 2.178229854658131
Energy: 2.066458449784423
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Energy: 2.396278919137322
Energy: 2.4191545482206895
Energy: 2.0600441926189155
Energy: 2.053934833929383
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Energy: 2.1897251673868596
Energy: 2.1871149246525907
Energy: 2.214104040405719
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Energy: 2.0984737306904355
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Energy: 2.3545132953683865
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Energy: 2.4905756301764885
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Energy: 2.210008278839952
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Energy: 2.2070349642848397
Energy: 2.1901437691379106
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Energy: 2.112532249774443
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Energy: 2.2726004369974815
Energy: 2.0546941377409538
Energy: 2.366105251370441
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Energy: 2.204569506242996
Energy: 2.150446758173748
Energy: 2.0627661412531433
Energy: 2.5044092710337296
Energy: 2.396470878341717
Energy: 2.0601154342951675
Energy: 2.1880236930351296
Energy: 2.2018123956141804
Energy: 2.0602473048100163
Energy: 2.2552632843226132
Energy: 2.2092338529847875
Energy: 2.2468596376948913
Energy: 2.1799074331005315
Energy: 2.4193772044260533
Energy: 2.2153276380263036
Energy: 2.3956509872233656
Energy: 2.0631828207118335
Energy: 2.2212451261223554
Energy: 2.189039785198374
Energy: 2.280573399994307
Energy: 2.2465657180619036
Energy: 2.134322154026635
Energy: 2.1298725044894904
Energy: 2.1900145178007833
Energy: 2.4034279498782736
Energy: 2.397579095506387
Energy: 2.1884133916224817
Energy: 2.3486472421640108
Energy: 2.220027587717484
Energy: 2.2575723401037306
Energy: 2.2352476742646354
Energy: 2.241906629192881
Energy: 2.221856862468387
Energy: 2.189021041745137
Energy: 2.0420111743815457

minimum gb energy = 1.8771045499817758 eV
minimum distance =  2.54398430572063 Angstroms
sigma value = 15


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

Energy: 3.625205911080226
Energy: 2.238198863436995
Energy: 2.383185133795093
Energy: 2.438671285722589
Energy: 2.5552572805012312
Energy: 2.798781009482089
Energy: 2.520330442018092
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Energy: 2.477177468456636
Energy: 2.496088312683986
Energy: 2.4014858615901624
Energy: 2.439642251067784
Energy: 2.362563052384377
Energy: 2.243536613346818
Energy: 2.4902321436368946
Energy: 2.4822113345355974
Energy: 2.7353463284095287
Energy: 2.29661016759194
Energy: 2.371998590431799
Energy: 2.259251658893393
Energy: 2.541197073782792
Energy: 2.2386115721822772
Energy: 2.2880865305942932
Energy: 2.4837537932232197
Energy: 2.4720469383965744
Energy: 2.464766045372204
Energy: 2.3209772163914226
Energy: 2.2978954629481247
Energy: 2.420039353581136
Energy: 2.4965451359284376
Energy: 2.5092578449474807
Energy: 2.6528868418338907
Energy: 2.414807240292409
Energy: 2.442634778831367
Energy: 2.464490638633698
Energy: 2.4174358644929788
Energy: 2.3224016657695654
Energy: 2.299811555858678
Energy: 2.3362489910056987
Energy: 2.5365850739201994
Energy: 2.50408576975119
Energy: 2.318871485277582
Energy: 2.4117888942788115
Energy: 2.430363484213283
Energy: 2.4930349512699546
Energy: 2.382718826881781
Energy: 2.451178194145306
Energy: 2.4294528364862433
Energy: 2.4130057891558345
Energy: 2.441955624410696
Energy: 2.4245212591732592
Energy: 2.42874801305292
Energy: 2.356933952272422
Energy: 2.549599814157502
Energy: 2.342511746068995
Energy: 2.3285918675345627
Energy: 2.3290759194345076
Energy: 2.331161248919521
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Energy: 2.4425030160500993
Energy: 2.329864156535922
Energy: 2.44348786079516
Energy: 2.4405165558614588
Energy: 2.3219652401561195
Energy: 2.3079764089849424
Energy: 2.3006245516583768
Energy: 2.396537743390502
Energy: 2.45862247032287
Energy: 2.4545847979745457
Energy: 2.418708082954252
Energy: 2.65215084259174
Energy: 2.4347668393660173
Energy: 2.421468713503483
Energy: 2.4261151816348234
Energy: 2.3426535457561752
Energy: 2.3322185616119304
Energy: 2.5224527616101287
Energy: 2.513074078861712
Energy: 2.5534324471131575
Energy: 2.566144972819285
Energy: 2.2783800088810233
Energy: 2.4236610902545053
Energy: 2.2992842311264083
Energy: 2.3366942382185845
Energy: 2.502240696519241
Energy: 2.5837495324864195
Energy: 2.252388948977121
Energy: 2.3389960185087806
Energy: 2.2436354570909125
Energy: 2.2724332784303605
Energy: 2.484111378519641
Energy: 2.35786577540772
Energy: 2.5461453679563935
Energy: 2.5604182374959934
Energy: 2.44407380699251
Energy: 2.2394976572971044
Energy: 2.2205810160335355
Energy: 2.2384071385076325
Energy: 2.398208095585963
Energy: 2.497236651018727
Energy: 2.427645460101272
Energy: 2.7625229836352547
Energy: 2.406786747823518
Energy: 2.427715321588436
Energy: 2.300601169029806
Energy: 2.2644698410730224
Energy: 2.206827756598132
Energy: 2.2415951347773566
Energy: 2.3124644346235472
Energy: 2.5834705596540033
Energy: 2.5522504483983037
Energy: 2.525248614941606
Energy: 2.455878065716727
Energy: 2.4353216892440335
Energy: 2.374738002476634
Energy: 2.476349975645094
Energy: 2.4844373426880053
Energy: 2.5418659755704125
Energy: 2.6171106575595027
Energy: 2.480087932101334
Energy: 2.311076197184584
Energy: 2.2795517047622282
Energy: 2.2509941564861404
Energy: 2.2686075503971326
Energy: 2.479197601622288
Energy: 2.57636788846907
Energy: 2.473606817306087
Energy: 2.3736518465059877
Energy: 2.236917502767825
Energy: 2.2414875207033536
Energy: 2.336500679147158
Energy: 2.525674209959932
Energy: 2.4401308531656887
Energy: 2.4127673556175266
Energy: 2.525044184993387
Energy: 2.468126794502528
Energy: 2.4925833103077526
Energy: 2.282415986035803
Energy: 2.2565669440871012
Energy: 2.2524089787061388
Energy: 2.313495740465081
Energy: 2.358861545390086
Energy: 2.4595326067095353
Energy: 2.6452257256292127
Energy: 2.5905185733107445
Energy: 2.516747372588016
Energy: 2.2816022967414664
Energy: 2.294940161093058
Energy: 2.3247022804215844
Energy: 2.460707000470359
Energy: 2.5447218554240103
Energy: 2.5171510152159824
Energy: 2.4587883689042256
Energy: 2.396223936240894
Energy: 2.5230708763356366
Energy: 2.3549326538770536
Energy: 2.4935441231189324
Energy: 2.5066210080071265
Energy: 2.412731069850988
Energy: 2.634247063747883
Energy: 2.3886751221119162
Energy: 2.43121352452938
Energy: 2.2624043298635304
Energy: 2.454904543532521
Energy: 2.527808438715475
Energy: 2.4022761866109947
Energy: 2.374384141479034
Energy: 2.406211322264675
Energy: 2.4701854660114604
Energy: 2.409531888842937
Energy: 2.367415482569481
Energy: 2.3566610722456383
Energy: 2.361491520440875
Energy: 2.4378296677662585
Energy: 2.2965567957874837
Energy: 2.424289050529698
Energy: 2.3586181552081857
Energy: 2.451307025750855
Energy: 2.4881684239413158
Energy: 2.4947792215094067
Energy: 2.4042343716234447
Energy: 2.448686122917081
Energy: 2.323103077961353
Energy: 2.4719071828083536
Energy: 2.346733074123667
Energy: 2.374440640535937
Energy: 2.454033332582249
Energy: 2.581443994547957
Energy: 2.452597505192781
Energy: 2.5066469655805474
Energy: 2.4454507337054214
Energy: 2.461502649271595
Energy: 2.339603678528798
Energy: 2.465399031611535
Energy: 2.4389639072577105
Energy: 2.438725016662745
Energy: 2.2681662344232896
Energy: 2.269588709605823
Energy: 2.2434156130826315
Energy: 2.3174239984045744
Energy: 2.399767016274749
Energy: 2.3849527418971967
Energy: 2.4586025470952975
Energy: 2.4048623177921113
Energy: 2.4543985046204906
Energy: 2.358820852347527
Energy: 2.3240466223949467
Energy: 2.2473859955001694
Energy: 2.2503026976699547
Energy: 2.29453790849266
Energy: 2.46938990712182
Energy: 2.5260575236774336
Energy: 2.4719508446385334
Energy: 2.6592900501910073
Energy: 2.4546236577067213
Energy: 2.3808759553397816
Energy: 2.461613647055503
Energy: 2.450284374990634
Energy: 2.2421127953780053
Energy: 2.7863302984535423
Energy: 2.6287476775175103
Energy: 2.4434605534344884
Energy: 2.357228969213722
Energy: 2.411284525674261

minimum gb energy = 2.206827756598132 eV
minimum distance =  2.46894938191029 Angstroms
sigma value = 437


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

Energy: 2.6492817900099688
Energy: 2.4623882732260527
Energy: 2.2872328192116886
Energy: 2.4195722885708277
Energy: 2.538582346718308
Energy: 2.3920150773389772
Energy: 2.606629619463967
Energy: 2.4929507503965844
Energy: 2.385954194921993
Energy: 2.4650324080884882
Energy: 2.614607111270485
Energy: 2.266780411173419
Energy: 2.4002434400943
Energy: 2.607354317054162
Energy: 2.383435736462455
Energy: 2.345342076874452
Energy: 2.3369998478312395
Energy: 2.385323659717936
Energy: 2.475238714023149
Energy: 2.3205848338907358
Energy: 2.7200981772400996
Energy: 2.5071591110609885
Energy: 2.474709126208147
Energy: 2.479285475537295
Energy: 2.407436649511564
Energy: 2.340079002227325
Energy: 2.2917328635216228
Energy: 2.3546373917603125
Energy: 2.409290826874737
Energy: 2.6894000120810206
Energy: 2.7030319957061804
Energy: 2.5992298668255307
Energy: 2.5409188567576484
Energy: 2.431003793515716
Energy: 2.416081862835971
Energy: 2.3955412522007307
Energy: 2.4295552404095915
Energy: 2.619562991526678
Energy: 2.532453392637696
Energy: 2.619850719097537
Energy: 2.420069145081776
Energy: 2.5139619439337064
Energy: 2.293249061169874
Energy: 2.4499368459094497
Energy: 2.3680800021296595
Energy: 2.537121397086486
Energy: 2.7235775358276553
Energy: 2.5873813036748685
Energy: 2.284848684506299
Energy: 2.4251729077686917
Energy: 2.2064458165289156
Energy: 2.495898204929352
Energy: 2.3945766522083445
Energy: 2.5516939528738085
Energy: 2.4626322493822936
Energy: 2.389544842303968
Energy: 2.460255611496096
Energy: 2.411176118702078
Energy: 2.204639712976868
Energy: 2.2079845403218514
Energy: 2.2066945439977523
Energy: 2.508015348132263
Energy: 2.4321071516751593
Energy: 2.4140666020855206
Energy: 2.5037810869899175
Energy: 2.4109200381198934
Energy: 2.3478257455675253
Energy: 2.2650686904339814
Energy: 2.2249278777607495
Energy: 2.2209039177491423
Energy: 2.2065227745984313
Energy: 2.220132207697741
Energy: 2.332372591850192
Energy: 2.325779443275063
Energy: 2.522758053112133
Energy: 2.4829523254352486
Energy: 2.441448892620591
Energy: 2.4823065997377634
Energy: 2.2560675597756967
Energy: 2.4278632514402463
Energy: 2.5294226170051997
Energy: 2.2133705213462607
Energy: 2.1735221215979457
Energy: 2.569520984124203
Energy: 2.320835278716606
Energy: 2.3007472917829337
Energy: 2.3852673004978833
Energy: 2.3984572457491806
Energy: 2.4713030988071134
Energy: 2.549873982915459
Energy: 2.6024320225181024
Energy: 2.2835997608815846
Energy: 2.2969678244986307
Energy: 2.453444307412278
Energy: 2.391206703801913
Energy: 2.3763348000342583
Energy: 2.270518313299295
Energy: 2.4036146592445773
Energy: 2.448295217441947
Energy: 2.5493153111696922
Energy: 2.4348275629968916
Energy: 2.296659075313343
Energy: 2.5376489350846048
Energy: 2.564738099641783
Energy: 2.3663761044483773
Energy: 2.3714181080571457
Energy: 2.5908595813261104
Energy: 2.7668210837535976
Energy: 2.3395574468381923
Energy: 2.574158861857909
Energy: 2.5831710789362896
Energy: 2.5624089895155735
Energy: 2.3326484098872893
Energy: 2.5031798911016394
Energy: 2.4759463789813716
Energy: 2.430480087731843
Energy: 2.501432850982001
Energy: 2.4572608734352976
Energy: 2.336711733049105
Energy: 2.412071565540301
Energy: 2.57242443343403
Energy: 2.3604418588820684
Energy: 2.254780035232221
Energy: 2.548147736443479
Energy: 2.4802888720839005
Energy: 2.3506138200757563
Energy: 2.4249050991011427
Energy: 2.382089594551194
Energy: 2.3459045518201505
Energy: 2.4297129360237446
Energy: 2.3358767048070574
Energy: 2.4471404706271143
Energy: 2.380483904767495
Energy: 2.4382136229495903
Energy: 2.6064135943925284
Energy: 2.6525203111135247
Energy: 2.595598881461938
Energy: 2.4627825763386006
Energy: 2.4596933316025247
Energy: 2.4983136875199756

minimum gb energy = 2.1735221215979457 eV
minimum distance =  2.38509364775958 Angstroms
sigma value = 33