Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664998710155487
cohesive_energy=4.316339468704817
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.59080993222044e-21, 2.27047655157408e-20, 4.0982236338749396e-20, 7.01237464815852e-20, 1.0598382412143659e-19, 1.390835116385694e-19, 4.1835235178690993e-19, 4.5545876263035e-19, 4.91534973898128e-19, 5.24107224867348e-19, 5.5240647075369e-19, 5.7694861243330195e-19, 5.985731904624e-19, 6.17512520452914e-19, 6.338659373561519e-19, 6.4777283053927195e-19, 6.59404632902112e-19, 6.689279708146079e-19, 6.76504664116794e-19, 6.82338189241188e-19, 6.866095921474319e-19, 6.894630687325859e-19, 6.91028395304004e-19, 6.914994352343999e-19, 6.91033201833906e-19, 6.89580027626868e-19, 6.870533950750499e-19, 6.8336037793368e-19, 6.78428878254228e-19, 6.725296638878401e-19, 6.66327638137626e-19, 6.606991916223839e-19, 6.56855569877418e-19, 6.55573828570218e-19, 6.512239190089079e-19, 6.36475883092938e-19, 6.030945329235479e-19, 5.40684946499346e-19, 4.36094855831826e-19, 2.72972446194384e-19, 3.15873929923002e-20, -3.1254460687755e-19, -7.893155230933679e-19, -1.4164955773558379e-18, -2.1404599177249798e-18, -2.9125808811822595e-18, -3.76485874163856e-18, -4.924113645169259e-18, -6.6881261409696e-18, -9.0583862533092e-18, -1.202949464693148e-17, -1.66571895930444e-17, -2.48302130384052e-17, -4.1945144495783395e-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: 0.013237299973716829
Energy: 0.013529235300822662
Energy: 2.575643250745755
Energy: 1.6317829733353562
Energy: 0.013529235300822662
Energy: 0.22731060644836382
Energy: 1.2076767443920013
Energy: 0.22731060645030352
Energy: 2.575643252946189
Energy: 1.2076767443920013
Energy: 1.4509731388792262
Energy: 1.2076767443929712
Energy: 1.6184649200807577
Energy: 0.22731060645030352
Energy: 1.2076767443910315
Energy: 0.227310606447394

minimum gb energy = 0.013237299973716829 eV
minimum distance =  2.44005750836354 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 2.386943840110738
Energy: 1.3583801854380888
Energy: 1.2401759630110376
Energy: 2.0119103449126245
Energy: 2.2408956880962663
Energy: 1.2622990937505274
Energy: 1.1657830022966575
Energy: 1.2623008246110663
Energy: 2.203358612056302
Energy: 1.1904465190749334
Energy: 1.1085278854966025
Energy: 1.190447056494395
Energy: 2.2251661159448632
Energy: 1.2419439600131266
Energy: 1.1774200360084643
Energy: 1.2419442576514614
Energy: 2.2125390043038444
Energy: 1.2020602889251044
Energy: 1.5269447220324144
Energy: 1.2236630768479169
Energy: 2.229673832022333
Energy: 1.2768258847053764
Energy: 1.4599161045811007
Energy: 1.2768258594450785
Energy: 1.896095288036763
Energy: 1.2764675020391316
Energy: 1.4524315029855517
Energy: 1.2764675052182666
Energy: 1.8418578430929806
Energy: 1.2628263192571323
Energy: 1.4432795914269214
Energy: 1.2628263193042595
Energy: 1.900063521515051
Energy: 1.2608364326209998
Energy: 1.6754020042532325
Energy: 1.2609049006867312
Energy: 1.8405991989340547
Energy: 1.2696090115294485
Energy: 1.8593314930482432
Energy: 1.2696090121594796
Energy: 1.9593728589311965
Energy: 1.2913515741425134
Energy: 1.859298953738306
Energy: 1.291351616690415
Energy: 1.4464667228912798
Energy: 1.261644691804722
Energy: 1.8541568373834203
Energy: 1.261644694473596
Energy: 1.6203905105917966
Energy: 1.2852817788391242
Energy: 1.8899389864197873
Energy: 1.2852818141895395
Energy: 1.4735211828863073
Energy: 1.228342855857783
Energy: 2.2231065603455935
Energy: 1.2283435633492463
Energy: 1.4579696694723085
Energy: 1.2202676546464057
Energy: 1.9629119748746189
Energy: 1.2252384100804035
Energy: 1.1436631815785443
Energy: 1.2624335846094905
Energy: 2.1984582010332026
Energy: 1.262433571258026
Energy: 1.1109736936509738
Energy: 1.2087337953066788
Energy: 2.198289866713917
Energy: 1.2087337963152125
Energy: 1.192414424455529
Energy: 1.3261217907332912
Energy: 2.2655531916888862
Energy: 1.3261217897295967
Energy: 1.186604083717837
Energy: 1.1924288098171636
Energy: 2.608441080145852
Energy: 1.1557292518874411
Energy: 1.3408271295789835
Energy: 1.2406011864801365
Energy: 2.2044644250297227
Energy: 1.2357573750576527
Energy: 1.2292320295415111
Energy: 1.2291126511220902
Energy: 2.204020991958984
Energy: 1.229112654622867
Energy: 1.243318034389954
Energy: 1.2508575501583046
Energy: 2.0759128471888393
Energy: 1.2508575502308374
Energy: 1.2955767251429036
Energy: 1.3154659994014057
Energy: 2.02539941558046
Energy: 1.3154674620884579
Energy: 1.6593674805567133
Energy: 1.2397058901029963
Energy: 2.0847125848355312
Energy: 1.2394833091453132
Energy: 1.6669543925445682
Energy: 1.2859226884906245
Energy: 2.085079081321795
Energy: 1.2859226571779718
Energy: 1.644364580553364
Energy: 1.2773800090456666
Energy: 1.6336107418078256
Energy: 1.2773800090420921
Energy: 1.6853639899422395
Energy: 1.270868596274894
Energy: 1.8010147177201412
Energy: 1.2708869108671712
Energy: 2.0655748255268214
Energy: 1.2818832709550891
Energy: 1.6312459240612165
Energy: 1.2818832709502501
Energy: 1.9945648300646452
Energy: 1.2484160610524795
Energy: 1.716844979326576
Energy: 1.2484180261908193
Energy: 1.9587478427780447
Energy: 1.2466173987142468
Energy: 1.2936327886895924
Energy: 1.2466168348989803
Energy: 2.0699650165570325
Energy: 1.2300228700167553
Energy: 1.2586901241393782
Energy: 1.2300228673793356
Energy: 2.244697171365674
Energy: 1.2616358525744489
Energy: 1.2811160318806194
Energy: 1.261635849927351
Energy: 2.2456782630539323
Energy: 1.2306503135290603
Energy: 1.3019242825566313
Energy: 1.1611735806917687

minimum gb energy = 1.1085278854966025 eV
minimum distance =  2.2347607773311 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 2.6658078302446726
Energy: 1.3892204535573096
Energy: 1.9895539977213834
Energy: 2.533912411632218
Energy: 2.116559523083378
Energy: 1.3203715998934622
Energy: 1.217861054408837
Energy: 1.320371595765435
Energy: 2.1670717063853666
Energy: 1.2568580726231526
Energy: 1.2178551775930897
Energy: 1.2568580749119274
Energy: 2.1434491801970763
Energy: 1.285077477893464
Energy: 1.2778118889951213
Energy: 1.2578577510369344
Energy: 2.268420162505985
Energy: 1.223598896760298
Energy: 1.3846507130430439
Energy: 1.2139581261802588
Energy: 2.1412516594851536
Energy: 1.2570101370988513
Energy: 1.4564263113410623
Energy: 1.257049872994909
Energy: 2.150945103449103
Energy: 1.2958661311474626
Energy: 1.4369341808819742
Energy: 1.2958661323028855
Energy: 1.8683999837892402
Energy: 1.3177331029948964
Energy: 1.4163183150515812
Energy: 1.3177331030059316
Energy: 2.308089959092892
Energy: 1.302984876458502
Energy: 1.6997247782308207
Energy: 1.3065785717574832
Energy: 1.8853342561758906
Energy: 1.3180235358650128
Energy: 1.8838784547681666
Energy: 1.3180235554890756
Energy: 2.0197785108330786
Energy: 1.3167144518552774
Energy: 1.7619539824455583
Energy: 1.3249937528796658
Energy: 1.4507757589277235
Energy: 1.2970347852104858
Energy: 1.6247368797447634
Energy: 1.2970497370097585
Energy: 1.5327032633971693
Energy: 1.286926784913853
Energy: 2.189976899805586
Energy: 1.2868376490261724
Energy: 1.4782507810759735
Energy: 1.2736156624538504
Energy: 2.1845089079868654
Energy: 1.2649895999516427
Energy: 1.4956145273458752
Energy: 1.257674170701166
Energy: 2.123316898311584
Energy: 1.2571821982592253
Energy: 1.244702260412866
Energy: 1.2846227712941032
Energy: 2.1214245966275227
Energy: 1.2856977050925007
Energy: 1.1886694471233976
Energy: 1.2694311708892796
Energy: 2.1657777738196997
Energy: 1.2694311716655282
Energy: 1.2377210902376934
Energy: 1.3035135381640068
Energy: 2.1772029035088845
Energy: 1.3035135524149917
Energy: 1.2633802802289953
Energy: 1.2527686728166623
Energy: 2.242303860080873
Energy: 1.2685425672702297
Energy: 1.4598083818308543
Energy: 1.274119296479052
Energy: 2.1409865514496667
Energy: 1.2747899207935038
Energy: 1.423435064246817
Energy: 1.2967500132638348
Energy: 2.1185101766940684
Energy: 1.2967500121070645
Energy: 1.4303590892544844
Energy: 1.33207511459826
Energy: 1.8669733476670007
Energy: 1.3320751149787817
Energy: 1.4903783108202795
Energy: 1.2981303132023188
Energy: 2.264115861161319
Energy: 1.2964803300561294
Energy: 1.8903509990631062
Energy: 1.320374850908247
Energy: 1.8770945216351085
Energy: 1.3203748487559683
Energy: 1.6690058144614501
Energy: 1.3209614470289655
Energy: 1.9130860814856607
Energy: 1.320960673812243
Energy: 1.6351008662992152
Energy: 1.3065753150415147
Energy: 1.446391994245691
Energy: 1.306575314842946
Energy: 1.8915987294161298
Energy: 1.2924236561489773
Energy: 1.523733996897035
Energy: 1.2917132205899393
Energy: 2.1827080508877117
Energy: 1.294785466618372
Energy: 1.4552943888436864
Energy: 1.2949034677293747
Energy: 2.146677201200069
Energy: 1.271253436906525
Energy: 1.5778382512964035
Energy: 1.2962317723502321

minimum gb energy = 1.1886694471233976 eV
minimum distance =  2.24176327927849 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 2.51934181484008
Energy: 1.4008975795835243
Energy: 1.4383189901251996
Energy: 2.0204297615694378
Energy: 2.0655608950675144
Energy: 1.3873456538907738
Energy: 1.3026569037025888
Energy: 1.3873465762675063
Energy: 2.058767938332321
Energy: 1.3420822850246719
Energy: 1.2487690690473998
Energy: 1.3420822530410061
Energy: 2.044565495554208
Energy: 1.3810191649448398
Energy: 1.3005860673575818
Energy: 1.381019083399703
Energy: 2.289437870574869
Energy: 1.3310074718730152
Energy: 1.6608284283037988
Energy: 1.334487111917006
Energy: 2.0356125970488836
Energy: 1.3566967407180264
Energy: 1.6553853770850326
Energy: 1.356696397535039
Energy: 2.07223173005557
Energy: 1.3786554652950274
Energy: 1.6984887870607057
Energy: 1.3786554658319454
Energy: 1.6763489014340442
Energy: 1.372485557767866
Energy: 1.6546887028008956
Energy: 1.3724855577550379
Energy: 1.9074484059515728
Energy: 1.3903298307636425
Energy: 1.7950941454729752
Energy: 1.3903290027174953
Energy: 1.6995491911232703
Energy: 1.378285995618249
Energy: 2.062968189691195
Energy: 1.3782859916128838
Energy: 1.797731098383028
Energy: 1.3382354363291706
Energy: 2.0615538423290993
Energy: 1.3507846629273486
Energy: 1.3256509080543988
Energy: 1.3317604823113502
Energy: 2.030542499080207
Energy: 1.3354589657407077
Energy: 1.2420553857867325
Energy: 1.3368945464714832
Energy: 2.04329624152692
Energy: 1.3368945799569742
Energy: 1.3215354704897155
Energy: 1.357573320164937
Energy: 2.13268467012883
Energy: 1.3575929763426497
Energy: 1.344696577774583
Energy: 1.3511330330163684
Energy: 2.2696708543145077
Energy: 1.3511333030175376
Energy: 1.4640732708738557
Energy: 1.4018029306260194
Energy: 2.035744783657735
Energy: 1.401803041258606
Energy: 1.4037552989502806
Energy: 1.3526922204276983
Energy: 2.0576574110388894
Energy: 1.3526922239650598
Energy: 1.4132950936097985
Energy: 1.364624398699344
Energy: 1.888480436257411
Energy: 1.3646243986977404
Energy: 1.438370366691309
Energy: 1.3725371274782097
Energy: 1.8514106558850103
Energy: 1.373461528498458
Energy: 1.9012970634692168
Energy: 1.3694945370222404
Energy: 1.8936507589789584
Energy: 1.3694945373828462
Energy: 1.7933432303511794
Energy: 1.367881125725373
Energy: 1.9063506805961663
Energy: 1.3678763127396598
Energy: 1.7859970263215
Energy: 1.4018624075111759
Energy: 1.4242396283397625
Energy: 1.4018624075256076
Energy: 1.9211883244471828
Energy: 1.3723076803570355
Energy: 1.439797413679851
Energy: 1.3723046987960072
Energy: 2.0995025444583924
Energy: 1.3800779596342103
Energy: 1.4358163165835078
Energy: 1.3800779581852642
Energy: 2.0818225563553128
Energy: 1.3155096851213688
Energy: 1.474066699037786
Energy: 1.3124952590496886

minimum gb energy = 1.2420553857867325 eV
minimum distance =  2.24115937929775 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 2.2891184895515666
Energy: 1.9311284931769632
Energy: 1.998920282577675
Energy: 1.4014884642361884
Energy: 1.8644690336676917
Energy: 1.3974870350523478
Energy: 1.349759290113643
Energy: 1.397296121081244
Energy: 1.9686155546628628
Energy: 1.3962313320626247
Energy: 1.3524033816905048
Energy: 1.3962316639654857
Energy: 1.951667074308994
Energy: 1.394101122550662
Energy: 1.435439344051185
Energy: 1.3941011337770537
Energy: 1.7726889240030592
Energy: 1.428642063819668
Energy: 1.5210605316603207
Energy: 1.4286420637737811
Energy: 1.9205328794421253
Energy: 1.5274286164117958
Energy: 1.679521384522375
Energy: 1.5274286164020359
Energy: 1.9301334183064915
Energy: 1.3970192931911083
Energy: 1.2775944359960836
Energy: 1.397019815403676
Energy: 1.6468500796900105
Energy: 1.3893548755604783
Energy: 1.684244613153038
Energy: 1.3893548380427767
Energy: 1.8238628892952327
Energy: 1.4328585749447906
Energy: 1.9198566593037387
Energy: 1.432858497442317
Energy: 1.6392991621335327
Energy: 1.392967107566778
Energy: 1.9364972039152726
Energy: 1.3930516950543193
Energy: 1.6499804257743182
Energy: 1.3918829688975092
Energy: 2.287217550074743
Energy: 1.39165909561398
Energy: 1.3920923395035678
Energy: 1.4095986492582668
Energy: 1.8804619040988182
Energy: 1.3933085825325233
Energy: 1.3468297674866108
Energy: 1.3707994004941726
Energy: 1.92815174622788
Energy: 1.37119662658303
Energy: 1.369049713608228
Energy: 1.3827618045778394
Energy: 1.966715334415047
Energy: 1.3827630137784732
Energy: 1.4184169167020333
Energy: 1.3446667903261926
Energy: 1.7789733092059088
Energy: 1.343066071258487
Energy: 1.6686757260181162
Energy: 1.4263018316133347
Energy: 1.9274455439787808
Energy: 1.426300704752194
Energy: 1.2977153429098174
Energy: 1.3933433149668235
Energy: 1.92406890826029
Energy: 1.3933433151962584
Energy: 1.3043762933474174
Energy: 1.3912529104826976
Energy: 1.6392217839768641
Energy: 1.391252893352779
Energy: 1.672410954325923
Energy: 1.6899072307434386
Energy: 1.868867822824058
Energy: 1.6899072307707839
Energy: 1.9774823284692733
Energy: 1.3905678225083424
Energy: 1.646292990395838
Energy: 1.3905677444244022
Energy: 1.914809259505348
Energy: 1.423157778182888
Energy: 1.7083337200788098
Energy: 1.423132250771634

minimum gb energy = 1.2775944359960836 eV
minimum distance =  2.23159807336637 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 2.0095812414554675
Energy: 1.5837678268116036
Energy: 2.0402095481815223
Energy: 2.0913458666953066
Energy: 1.7914746571941562
Energy: 1.5053362664842256
Energy: 1.490030804468223
Energy: 1.5053336012099015
Energy: 1.8708983241024066
Energy: 1.4716552992607617
Energy: 1.4646212750559322
Energy: 1.471655316892193
Energy: 1.7884067103052366
Energy: 1.4735654370036053
Energy: 1.4465124403295986
Energy: 1.4735610997391226
Energy: 1.699071429777061
Energy: 1.4978269353190208
Energy: 1.9381350973925888
Energy: 1.499981168454688
Energy: 1.7809585594593884
Energy: 1.544045727665502
Energy: 1.804449840570322
Energy: 1.5440457270901984
Energy: 1.7915970973863573
Energy: 1.5317754967181938
Energy: 1.8587381125774802
Energy: 1.5439084755985877
Energy: 1.4536702778149664
Energy: 1.4846255141684919
Energy: 1.8354952682114918
Energy: 1.4846256894141883
Energy: 1.4312759798115535
Energy: 1.4737761877318811
Energy: 1.832565198739513
Energy: 1.473776194240844
Energy: 1.492273486976385
Energy: 1.5004251393558232
Energy: 1.8458107133509176
Energy: 1.500429499220409
Energy: 1.5678707848759148
Energy: 1.5572389806030211
Energy: 1.9559231236984513
Energy: 1.5572248985329784
Energy: 1.6565175609328249
Energy: 1.5342430081096463
Energy: 1.996863599406748
Energy: 1.5296936807934527
Energy: 1.6450157062588562
Energy: 1.4915935239391704
Energy: 1.8369897014201841
Energy: 1.491593497837109
Energy: 1.6727739741499243
Energy: 1.4957669626189047
Energy: 1.670782219861027
Energy: 1.4957669634176793
Energy: 1.6468644744343255
Energy: 1.5096217352473498
Energy: 1.7210407022507157
Energy: 1.5096211189167517
Energy: 1.8394494945858848
Energy: 1.5012935026885696
Energy: 1.667469533805019
Energy: 1.5012935020889373
Energy: 2.0965867111758585
Energy: 1.5273657705050707
Energy: 1.680988374859993
Energy: 1.5250979424447035

minimum gb energy = 1.4312759798115535 eV
minimum distance =  2.24274462022333 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.7069300452344502
Energy: 1.520674504506907
Energy: 2.056496823277559
Energy: 2.0299022997952516
Energy: 1.7115322371257222
Energy: 1.5334173616284414
Energy: 1.558543310204876
Energy: 1.53353803887699
Energy: 1.7223217537216002
Energy: 1.4963675529480793
Energy: 1.478630707785742
Energy: 1.4963675529306624
Energy: 1.7586575527279664
Energy: 1.4839220101188724
Energy: 1.4687250984286053
Energy: 1.4839220102206345
Energy: 1.7773961241452567
Energy: 1.5728681746287256
Energy: 1.765135317967407
Energy: 1.5728681744131432
Energy: 1.6735311287316952
Energy: 1.566451427231794
Energy: 1.7417952516292636
Energy: 1.5664514272880643
Energy: 1.7278559904662147
Energy: 1.5301945806645147
Energy: 1.8317337811032668
Energy: 1.5364597701481755
Energy: 1.4897949090532392
Energy: 1.58733373705492
Energy: 1.7483790197861637
Energy: 1.587333730636233
Energy: 1.4667699264366492
Energy: 1.5197469308433116
Energy: 1.6914317678292743
Energy: 1.519746930848671
Energy: 1.4374937207405358
Energy: 1.4953722569256305
Energy: 1.7257974557195184
Energy: 1.4953722554645736
Energy: 1.5297931322681517
Energy: 1.5451679443146202
Energy: 1.8712210178095883
Energy: 1.545166838980765
Energy: 1.6844054896353713
Energy: 1.5883811619765036
Energy: 1.7825818704237952
Energy: 1.588381161971144
Energy: 1.8041495042681894
Energy: 1.5695276036867525
Energy: 1.6813630672872555
Energy: 1.5695276036305124
Energy: 1.8103255319535574
Energy: 1.5669304951836638
Energy: 1.5073099328012134
Energy: 1.566929963653036
Energy: 1.6764388228470606
Energy: 1.4905820803636565
Energy: 1.4244821358900437
Energy: 1.4905820803368608
Energy: 1.691725335212263
Energy: 1.521891890033865
Energy: 1.4860813499813714
Energy: 1.5218918925140044
Energy: 1.8539785203508246
Energy: 1.5956499265144413
Energy: 1.5193032529668526
Energy: 1.5956499263899029
Energy: 1.8691662269597125
Energy: 1.584565180611667
Energy: 1.7433031911880887
Energy: 1.5845649983235839
Energy: 1.6830854725100668
Energy: 1.4863216571700333
Energy: 1.7396398724838
Energy: 1.486321675003921
Energy: 1.5449857458880463
Energy: 1.5774688921733597
Energy: 1.794380751909784
Energy: 1.5774688926648444
Energy: 1.4441773647476757
Energy: 1.479317987888822
Energy: 1.6887103758272086
Energy: 1.479317988415141
Energy: 1.4831237793232832
Energy: 1.4900935629391427
Energy: 1.7425230964448264
Energy: 1.4900935585733899
Energy: 1.5899191671673405
Energy: 1.6510682373921945
Energy: 1.8516150947189558
Energy: 1.651068251910288
Energy: 1.6603522227862901
Energy: 1.5743409894831184
Energy: 2.076663661033607
Energy: 1.5744062976434734
Energy: 1.645344126091501
Energy: 1.5650256009465737
Energy: 1.781313130235617
Energy: 1.5650287191241594
Energy: 1.5886829554347024
Energy: 1.5070125273541115
Energy: 1.7022216882882262
Energy: 1.5070125271934294
Energy: 1.6097374089256693
Energy: 1.5145391085754676
Energy: 1.6060460949389281
Energy: 1.5145391085754676
Energy: 1.721606723593772
Energy: 1.5083144632143597
Energy: 1.6031862260732819
Energy: 1.5083144632103402
Energy: 1.7766402496529845
Energy: 1.531369576631582
Energy: 1.6678464864745035
Energy: 1.54403680034145
Energy: 1.905173350232122
Energy: 1.5384900663058567
Energy: 1.8132391985871905
Energy: 1.5384899983705063

minimum gb energy = 1.4244821358900437 eV
minimum distance =  2.24135246436935 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.314512326265967
Energy: 1.2960258001385176
Energy: 1.9333086319708215
Energy: 1.86151405473005
Energy: 1.4434277042954133
Energy: 1.3584503939641046
Energy: 1.5047067598794723
Energy: 1.3580043453511756
Energy: 1.5437347203088607
Energy: 1.4193807145953539
Energy: 1.484133240298497
Energy: 1.419358017791776
Energy: 1.6480267220706675
Energy: 1.4550587297711182
Energy: 1.6745196552915755
Energy: 1.4611975733885552
Energy: 2.026036353917921
Energy: 1.412652176423745
Energy: 1.5303551937750277
Energy: 1.4118843407909927
Energy: 1.7109229247854187
Energy: 1.438579194674995
Energy: 1.5506041234297294
Energy: 1.4382305733587777
Energy: 1.525873534889663
Energy: 1.38971298445026
Energy: 1.3200715375634196
Energy: 1.3895105011767628
Energy: 1.4673273425057414
Energy: 1.3810146388525424
Energy: 1.3983779187920744
Energy: 1.3809942458329851
Energy: 1.4403859962533998
Energy: 1.4021083439383806
Energy: 1.5470592959479188
Energy: 1.4021083971443393
Energy: 1.545111317358985
Energy: 1.5016629061456948
Energy: 1.6640578237938268
Energy: 1.5016629898357334
Energy: 1.5206010839027233
Energy: 1.517712496748139
Energy: 1.8518135349992033
Energy: 1.4358893679418099
Energy: 1.551156248648722
Energy: 1.4841959962110272
Energy: 1.6146533517767463
Energy: 1.4841986813892918
Energy: 1.3480923394260136
Energy: 1.3839981889598336
Energy: 1.6667088048725718
Energy: 1.3839921992143338

minimum gb energy = 1.2960258001385176 eV
minimum distance =  2.25262998150758 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 2.418733553189228
Energy: 1.6900543915358006
Energy: 2.06178538863209
Energy: 2.064540289851396
Energy: 1.9032377783235594
Energy: 1.638229507488258
Energy: 1.6970495442747673
Energy: 1.6382295078134546
Energy: 1.6364634919921908
Energy: 1.55445485040651
Energy: 1.6013428331268085
Energy: 1.5544548499455166
Energy: 1.5748205657927539
Energy: 1.5263949026680483
Energy: 1.5724387627914922
Energy: 1.5263949027798722
Energy: 1.5555107860943898
Energy: 1.5169000221764273
Energy: 1.6539928318009143
Energy: 1.5169000221353302
Energy: 1.6487583156361048
Energy: 1.6214678110487162
Energy: 1.6961053133663555
Energy: 1.6214678109289016
Energy: 1.754091829635675
Energy: 1.755208563196641
Energy: 2.109656811899815
Energy: 1.7552112101036044
Energy: 1.7777149043521923
Energy: 1.6656479521594405
Energy: 2.070199995694592
Energy: 1.6656462864088522
Energy: 1.7410545030758766
Energy: 1.6058438114428533
Energy: 1.762978928807953
Energy: 1.6058438114428533
Energy: 1.5948703235972987
Energy: 1.5451963434414968
Energy: 1.5632833576332004
Energy: 1.5451963433422307
Energy: 1.7437776676290977
Energy: 1.5243701684758828
Energy: 1.5085825204879955
Energy: 1.524370168430219
Energy: 1.743485803570768
Energy: 1.59951704752823
Energy: 1.5819179321441672
Energy: 1.5995170476811507
Energy: 2.0652391831029075
Energy: 1.6518274616745297
Energy: 1.6324100700583422
Energy: 1.6518332789485939
Energy: 2.1487438934935827
Energy: 1.6164360240152975
Energy: 1.7571005007768437
Energy: 1.61643616388317
Energy: 1.8926558784933571
Energy: 1.6612386791301756
Energy: 1.818001533806688
Energy: 1.6612386791997604
Energy: 1.672743160056807
Energy: 1.569603664598127
Energy: 1.8399418801292335
Energy: 1.5696036646004103
Energy: 1.524764852760022
Energy: 1.5899601184167875
Energy: 1.8365991906025365
Energy: 1.5899601185115388
Energy: 1.5051641492748666
Energy: 1.5438367442703393
Energy: 1.820794635540643
Energy: 1.5438367443376932
Energy: 1.5452017738871566
Energy: 1.5836388095278973
Energy: 1.9615032352825612
Energy: 1.5836388301415276
Energy: 1.6007775859892708
Energy: 1.6040104052522024
Energy: 1.9762366192873617
Energy: 1.6040584153141426
Energy: 1.8314479677729893
Energy: 1.6651844175764485
Energy: 1.8646856923696873
Energy: 1.6651844175707404
Energy: 2.0122134776628697
Energy: 1.616517981935715
Energy: 1.7918997603906317
Energy: 1.6165179806599919
Energy: 2.0227885818885274
Energy: 1.627406097589713
Energy: 1.5579048782538047
Energy: 1.6274060975748723
Energy: 1.8852869097474907
Energy: 1.562258433086588
Energy: 1.5484770028036774
Energy: 1.562258433082022
Energy: 1.8549054357326362
Energy: 1.5440497502120134
Energy: 1.5140673689872957
Energy: 1.5440497499507457
Energy: 1.7148540211051637
Energy: 1.5697431522682843
Energy: 1.5634429835810715
Energy: 1.569743152288833
Energy: 1.9267136468520767
Energy: 1.632240731891694
Energy: 1.8277563723428667
Energy: 1.6322407792465248
Energy: 1.7700016383742874
Energy: 1.6998275308979844
Energy: 2.0022373008876575
Energy: 1.6998275314399784
Energy: 1.603940341415023
Energy: 1.6258682275059082
Energy: 2.055520146445488
Energy: 1.6258682141586847
Energy: 1.5983158316404864
Energy: 1.6236864922785073
Energy: 1.9925680534364139
Energy: 1.6236864922864982
Energy: 1.5443455550260468
Energy: 1.5604006948714528
Energy: 1.7760605944149854
Energy: 1.5604006929213632
Energy: 1.5379392151415168
Energy: 1.5380700933107119
Energy: 1.7159718431615918
Energy: 1.5380707646125498
Energy: 1.6917904941885036
Energy: 1.5481766046435903
Energy: 1.7240097847542541
Energy: 1.5481766057081718
Energy: 1.8781752083742105
Energy: 1.6446328219331232
Energy: 1.792075923205087
Energy: 1.6446328219239907
Energy: 2.057098506888854
Energy: 1.7216095252751749
Energy: 1.7724001050366072
Energy: 1.7216083097992643

minimum gb energy = 1.5051641492748666 eV
minimum distance =  2.22760495247165 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.32247808422183
Energy: 2.1488495614554926
Energy: 2.0254363542189657
Energy: 2.26733588918225
Energy: 1.8157325790950714
Energy: 1.590994038153541
Energy: 1.682477858706854
Energy: 1.5909961831487407
Energy: 1.6319025586046407
Energy: 1.5832210610810975
Energy: 1.6033982201195305
Energy: 1.583221054757139
Energy: 1.6259280281077613
Energy: 1.545485937190659
Energy: 1.6017174972504686
Energy: 1.5454859477736411
Energy: 1.5997530086760865
Energy: 1.5390427362923575
Energy: 1.6702055454859526
Energy: 1.5390427361151047
Energy: 1.6558009806871234
Energy: 1.6297850368399112
Energy: 1.705293748095765
Energy: 1.6297849975363243
Energy: 1.7094647906955691
Energy: 1.7259111017738142
Energy: 2.0753587661628123
Energy: 1.7259121054738613
Energy: 1.8569738564083411
Energy: 1.6810928460805568
Energy: 2.117983862610426
Energy: 1.681093256664889
Energy: 1.7825314898971045
Energy: 1.6326461504593583
Energy: 1.7086444242336383
Energy: 1.6326461504041367
Energy: 1.6499728060338528
Energy: 1.569612074630411
Energy: 1.589719947678612
Energy: 1.5696120751775233
Energy: 1.7739326108920725
Energy: 1.5601528871345176
Energy: 1.529780614226733
Energy: 1.5601529162831265
Energy: 1.808837272738645
Energy: 1.614136270793709
Energy: 1.5862330789185923
Energy: 1.6141362707830267
Energy: 1.8134544979123828
Energy: 1.588038475026702
Energy: 1.5836418014986242
Energy: 1.588493382997142
Energy: 1.8302723386857538
Energy: 1.6437060745680703
Energy: 1.799920518655136
Energy: 1.6437060768984315
Energy: 1.8480852557083518
Energy: 1.714909121068059
Energy: 1.937166092856485
Energy: 1.7149091210584677
Energy: 1.8323037414303696
Energy: 1.639309954725952
Energy: 1.9683699467156697
Energy: 1.6393099482551612
Energy: 1.5612940547059937
Energy: 1.5914645293654515
Energy: 1.9764760902398026
Energy: 1.5916105941990741
Energy: 1.545667625409553
Energy: 1.6257116872557535
Energy: 1.900616214114248
Energy: 1.6257116744493956
Energy: 1.547678667823658
Energy: 1.562470870019169
Energy: 1.8265157006706927
Energy: 1.5624708704781076
Energy: 1.56803553281956
Energy: 1.6591344874254383
Energy: 1.8575059134025187
Energy: 1.6591344957707397
Energy: 1.8191809272290482
Energy: 1.6520570942714607
Energy: 1.8556019124754521
Energy: 1.652057128905989
Energy: 1.9870497875314403
Energy: 1.7601296760604936
Energy: 1.8225490091693826
Energy: 1.7601295342505754

minimum gb energy = 1.529780614226733 eV
minimum distance =  2.23123072416095 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.7096762261406253
Energy: 1.9563090145386695
Energy: 2.1832142501534375
Energy: 2.2136600376740794
Energy: 2.1236865001071568
Energy: 1.613807874397665
Energy: 1.7032066374738
Energy: 1.6138080848197403
Energy: 1.7058432025394683
Energy: 1.649204984496547
Energy: 1.6522643658307232
Energy: 1.6492049864628693
Energy: 1.618042295512531
Energy: 1.594517361981985
Energy: 1.6193000977307137
Energy: 1.5945173620613609
Energy: 1.6328892770415298
Energy: 1.5389111279429333
Energy: 1.6504445586495828
Energy: 1.5389111409685308
Energy: 1.686871561998856
Energy: 1.5982613037173599
Energy: 1.9606282088768605
Energy: 1.5982613036162405
Energy: 1.7769864219439138
Energy: 1.7612049899080504
Energy: 1.9458540834646112
Energy: 1.7613614349101832
Energy: 1.8697526625444223
Energy: 1.7744138486608925
Energy: 1.9314644544998822
Energy: 1.7744138222653278
Energy: 1.8635216242997101
Energy: 1.5950925902810416
Energy: 1.8019980070117538
Energy: 1.595092606644037
Energy: 1.7806409560266498
Energy: 1.5922826591238133
Energy: 1.6085002716456576
Energy: 1.5922826633419433
Energy: 1.8341076292777718
Energy: 1.5846359705343165
Energy: 1.5698259224347002
Energy: 1.5846355519304474
Energy: 1.881378018657414
Energy: 1.6691695851692687
Energy: 1.5786665743310042
Energy: 1.6691695853088098
Energy: 1.9542235809521231
Energy: 1.576721385586949
Energy: 1.550496654787047
Energy: 1.5765565960921535
Energy: 1.9590336347985917
Energy: 1.6212454501096434
Energy: 1.739265724936571
Energy: 1.6212454480575704
Energy: 1.8641246403667449
Energy: 1.6511506872725505
Energy: 1.9129772190763072
Energy: 1.6511506691941678
Energy: 1.8896452803447146
Energy: 1.7996363781316502
Energy: 2.1036284573597026
Energy: 1.7996368424410014
Energy: 1.7069504503062873
Energy: 1.6185292628230172
Energy: 2.1568156422115585
Energy: 1.6185289572788113
Energy: 1.6755507810331236
Energy: 1.662616236982565
Energy: 1.8258978907556596
Energy: 1.6626162419662203
Energy: 1.6448930987217747
Energy: 1.5352157151629298
Energy: 1.625157400405106
Energy: 1.5352645272968641
Energy: 1.6496493052785224
Energy: 1.5376478003185023
Energy: 1.623450674219156
Energy: 1.5376477822157857
Energy: 1.6603257074075104
Energy: 1.623315755755577
Energy: 1.7002131950408133
Energy: 1.6233157556877273
Energy: 1.9258170096011193
Energy: 1.708210256364196
Energy: 1.7101112756670804
Energy: 1.7082078061309072
Energy: 1.9501578595289084
Energy: 1.7636528023996167
Energy: 1.899950685778958
Energy: 1.7636528021589566
Energy: 1.8370495931620636
Energy: 1.6493795401503053
Energy: 1.848192565506378
Energy: 1.6493795407762895
Energy: 1.7515916013862933
Energy: 1.5973566532351906
Energy: 1.7250029456759353
Energy: 1.5973566536819894
Energy: 1.5736464865323165
Energy: 1.5825701623344743
Energy: 1.6925196044995754
Energy: 1.5825723181276574
Energy: 1.5492297859815092
Energy: 1.6780236399514903
Energy: 1.7637221857339878
Energy: 1.6780236399681105
Energy: 1.5615935039801279
Energy: 1.582701832024161
Energy: 1.9536661407625417
Energy: 1.5827027868694308
Energy: 1.5591014356213622
Energy: 1.6503409589577973
Energy: 1.9599538485184613
Energy: 1.650340958825941
Energy: 1.7943989637078477
Energy: 1.6575424056713777
Energy: 1.9738782768100023
Energy: 1.6575424028256038
Energy: 2.1762422313173118
Energy: 1.7832072787951228
Energy: 1.8490029189106176
Energy: 1.783207279044777

minimum gb energy = 1.5352157151629298 eV
minimum distance =  2.23050123991884 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.8813682313092568
Energy: 1.460521705661527
Energy: 1.887468094511652
Energy: 1.85661958002792
Energy: 1.6872032265621453
Energy: 1.4821736426495933
Energy: 1.6876156795240238
Energy: 1.4821734893712666
Energy: 1.8295474465809016
Energy: 1.5190059997795045
Energy: 1.6091527193093502
Energy: 1.5189481475439155
Energy: 1.6126361468819208
Energy: 1.4848657368837213
Energy: 1.4370748162497278
Energy: 1.484865736934281
Energy: 1.6366550191871676
Energy: 1.4996158273684113
Energy: 1.7057794380818767
Energy: 1.4996158237726638
Energy: 1.7078255206117787
Energy: 1.5429757889389313
Energy: 1.725359197910853
Energy: 1.5293086393085513
Energy: 1.6641810738175318
Energy: 1.682304328564802
Energy: 1.6862599517354004
Energy: 1.6823028953603627
Energy: 1.6755705748696508
Energy: 1.692627191568056
Energy: 1.749488624742791
Energy: 1.6926272030638005
Energy: 1.6927279044560366
Energy: 1.5567821234999386
Energy: 1.7610713051434796
Energy: 1.556782122201526

minimum gb energy = 1.4370748162497278 eV
minimum distance =  2.23160143103688 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.9063844186941357
Energy: 2.002311521790443
Energy: 2.047190100991455
Energy: 2.11580182772039
Energy: 1.8436382269989826
Energy: 1.7015328617671488
Energy: 1.8076557077526305
Energy: 1.7015328304061041
Energy: 1.5816730234337122
Energy: 1.4827077125886938
Energy: 1.7857275569833133
Energy: 1.4827077102511952
Energy: 1.5327844223065772
Energy: 1.5274718068412403
Energy: 1.7263961602107272
Energy: 1.5274718067251545
Energy: 1.504197011195798
Energy: 1.5331711524468443
Energy: 1.7457137087521297
Energy: 1.5331712853521353
Energy: 1.5070065242600128
Energy: 1.424521691813599
Energy: 1.6702628791404606
Energy: 1.424521692073596
Energy: 1.5194904965790788
Energy: 1.471112134450298
Energy: 1.6599320316720843
Energy: 1.4711121344539275
Energy: 1.5629360084835866
Energy: 1.4174823243336843
Energy: 1.653339592854102
Energy: 1.417482327115015
Energy: 1.9008023305505966
Energy: 1.4149070501468421
Energy: 1.675407496808154
Energy: 1.4147518689569167
Energy: 1.8343895263719607
Energy: 1.8221515849801164
Energy: 1.8361617775226462
Energy: 1.8221515849136325
Energy: 1.919493076275616
Energy: 1.5383638006203877
Energy: 1.883701830380327
Energy: 1.5383637440196123
Energy: 1.8233093801894542
Energy: 1.6110173204989888
Energy: 1.8529044753901895
Energy: 1.6110173213793382
Energy: 1.6776472786296683
Energy: 1.6896381374320042
Energy: 1.8598504092604882
Energy: 1.6896389186304326
Energy: 1.6842501519534645
Energy: 1.5638405794439114
Energy: 1.6104515424084749
Energy: 1.5638567882073287
Energy: 1.6529380603764834
Energy: 1.4754780458294154
Energy: 1.5375600390002437
Energy: 1.47547804561781
Energy: 1.6568163913646052
Energy: 1.4179591239113702
Energy: 1.5392579193034848
Energy: 1.4179591238799156
Energy: 1.8001703678850576
Energy: 1.5387031451088653
Energy: 1.5232222794475374
Energy: 1.5387031450834594
Energy: 1.7763572657043822
Energy: 1.455275014736522
Energy: 1.4938173794286915
Energy: 1.455274614084694
Energy: 1.8094157685101024
Energy: 1.544789373283562
Energy: 1.5251758877813606
Energy: 1.5447893731867783
Energy: 1.7928727075663815
Energy: 1.466120796108938
Energy: 1.572273838467534
Energy: 1.466120793627528
Energy: 1.8244940923424706
Energy: 1.7250391878636033
Energy: 1.948066990467959
Energy: 1.7250391960479012
Energy: 1.9043557375446372
Energy: 1.7365342435824784
Energy: 1.974949344190489
Energy: 1.7365340812075003
Energy: 1.8991679790745661
Energy: 1.5569711255837415
Energy: 1.728083555038284
Energy: 1.5569704123846058
Energy: 1.891580751574899
Energy: 1.6428804367812764
Energy: 1.6160213110341897
Energy: 1.6428804367908998
Energy: 1.8594584937628158
Energy: 1.4549341097775201
Energy: 1.5331140022668912
Energy: 1.4549341288161453
Energy: 1.8971782824415082
Energy: 1.4320392680749665
Energy: 1.5771444513937405
Energy: 1.432039045084436
Energy: 1.5547963957735917
Energy: 1.420530102613274
Energy: 1.6703816714954
Energy: 1.420530102619323
Energy: 1.5601087287853457
Energy: 1.4225047321772106
Energy: 1.551765145423103
Energy: 1.4225047321578537
Energy: 1.5798746699097836
Energy: 1.4911299854394993
Energy: 1.6803222095536834
Energy: 1.491129607021213
Energy: 1.562593252726987
Energy: 1.5532278793079777
Energy: 1.7768469282190833
Energy: 1.5532268231594215
Energy: 1.6351974180655175
Energy: 1.61272017987507
Energy: 1.787287131942809
Energy: 1.6127189046660746
Energy: 1.7202058968760687
Energy: 1.565027761312285
Energy: 1.9272192934562369
Energy: 1.5650079028550898
Energy: 2.0392256427572577
Energy: 1.8799032276014374
Energy: 1.945044333417477
Energy: 1.8799032289340323

minimum gb energy = 1.4147518689569167 eV
minimum distance =  2.23162069475132 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.2078671235875156
Energy: 1.557336860325524
Energy: 1.7486830323382883
Energy: 1.7943550021790085
Energy: 1.8542596407348793
Energy: 1.386940697538063
Energy: 1.632960845494207
Energy: 1.3869407820780524
Energy: 1.525000674333881
Energy: 1.374775182759959
Energy: 1.6772133908244864
Energy: 1.3747749500099335
Energy: 1.4518352127837697
Energy: 1.4353450880738436
Energy: 1.4562768503597328
Energy: 1.4353456605187644
Energy: 1.4913658044944063
Energy: 1.346356610190259
Energy: 1.5129450005123843
Energy: 1.3463566409050156
Energy: 1.4429687790241532
Energy: 1.380859567943613
Energy: 1.7045951194701656
Energy: 1.3808590821287057
Energy: 1.4521184449391393
Energy: 1.4037414317180827
Energy: 1.6737343238903213
Energy: 1.4037414316211014
Energy: 1.5416018956238637
Energy: 1.3838496814158843
Energy: 1.6887870363664295
Energy: 1.3838496836948535
Energy: 1.7177463666647192
Energy: 1.5728926168653425
Energy: 1.6579475453899177
Energy: 1.5729034770066417
Energy: 1.6669623238744602
Energy: 1.8354908187439807
Energy: 1.8520939863700823
Energy: 1.835489879619639
Energy: 1.7952271152917294
Energy: 1.490492969175139
Energy: 1.7184773762257888
Energy: 1.490521502955016
Energy: 1.7050283841875824
Energy: 1.4257314262602974
Energy: 1.8664310839385707
Energy: 1.4257314254209572
Energy: 1.6586029918661038
Energy: 1.3789831713937253
Energy: 1.890350818829297
Energy: 1.3789831659312868
Energy: 1.6355329275973198
Energy: 1.3776706788492854
Energy: 1.8994495811490335
Energy: 1.4038209371889707
Energy: 1.4573498407934553
Energy: 1.4414776103338107
Energy: 1.5142955260698847
Energy: 1.441477607718771
Energy: 1.4722668758125121
Energy: 1.3742691077828613
Energy: 1.465838184598521
Energy: 1.3742757750731829
Energy: 1.67069802549142
Energy: 1.3409877244688992
Energy: 1.4922007095955823
Energy: 1.3409877272712105
Energy: 1.657758716702587
Energy: 1.379945364710422
Energy: 1.456150131422314
Energy: 1.3799453475957637
Energy: 1.6852760267385258
Energy: 1.4514861687364258
Energy: 1.458050508660587
Energy: 1.4514861663437864
Energy: 1.6918114738093422
Energy: 1.385521737576259
Energy: 1.5753938147316715
Energy: 1.3855217396428647
Energy: 1.6484348539558595
Energy: 1.6561968781818888
Energy: 1.6445984581581496
Energy: 1.6560264448197228
Energy: 1.7333907833783273
Energy: 1.7126813042785514
Energy: 1.6507859065018218
Energy: 1.71523258198086
Energy: 1.889763018872686
Energy: 1.4942195793831792
Energy: 1.9136323644155881
Energy: 1.4915866099258843
Energy: 1.8856282607207115
Energy: 1.3792387638447101
Energy: 1.6700982725733888
Energy: 1.3792387644382698

minimum gb energy = 1.3409877244688992 eV
minimum distance =  2.24451323838571 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 2.1138636641299784
Energy: 1.9632011467178874
Energy: 1.977630102112872
Energy: 2.022646301605782
Energy: 1.7568028880822844
Energy: 1.3612809649067028
Energy: 1.7929279430471137
Energy: 1.3612809744835535
Energy: 1.526368175167638
Energy: 1.4322131416963504
Energy: 1.7500723119362145
Energy: 1.432213141920611
Energy: 1.4469425505899447
Energy: 1.4516267596649755
Energy: 1.7571311211873748
Energy: 1.4516267594934433
Energy: 1.4952852822925105
Energy: 1.5263917654809889
Energy: 1.7336813764789047
Energy: 1.526391706777851
Energy: 1.5027941877004591
Energy: 1.3604649880622306
Energy: 1.5169984299724104
Energy: 1.3604649880715358
Energy: 1.5057794215841842
Energy: 1.3522066994087147
Energy: 1.5136764467852797
Energy: 1.3522066994076811
Energy: 1.5635844486496002
Energy: 1.354932205735046
Energy: 1.5003159687290475
Energy: 1.354932205735046
Energy: 1.8276476730241613
Energy: 1.4363863516223618
Energy: 1.44499777596131
Energy: 1.4363863519179614
Energy: 1.7082961982737341
Energy: 1.485711685221181
Energy: 1.46788623719779
Energy: 1.4857116806048518
Energy: 1.8192850476894997
Energy: 1.442690252750884
Energy: 1.563960679167751
Energy: 1.442690252935904
Energy: 1.7849600493964324
Energy: 1.692505032204434
Energy: 1.922438662436993
Energy: 1.692505023322077
Energy: 1.8713289398021882
Energy: 1.702727543730965
Energy: 1.9458609913643294
Energy: 1.702727543730965
Energy: 1.8424571401470722
Energy: 1.556461325165838
Energy: 1.7026305501246284
Energy: 1.5564613323110206
Energy: 1.7522695689259735
Energy: 1.5213301119209017
Energy: 1.6031679951704274
Energy: 1.521330111927105
Energy: 1.903676150312074
Energy: 1.429126171353061
Energy: 1.5030285518075523
Energy: 1.4291261713561625
Energy: 1.71563475680146
Energy: 1.364040319469416
Energy: 1.6089490565412805
Energy: 1.3640403194528739
Energy: 1.466057930809693
Energy: 1.3918233808427212
Energy: 1.5965536492775432
Energy: 1.3918233808427212
Energy: 1.478864104730761
Energy: 1.3581051618073035
Energy: 1.5824892924231664
Energy: 1.3581051618641675
Energy: 1.5224480193724654
Energy: 1.4834098437361074
Energy: 1.8362627035709962
Energy: 1.4833909112348629
Energy: 1.4753753321367586
Energy: 1.3846123798621195
Energy: 1.703568119909285
Energy: 1.3846123798383403
Energy: 1.4796094642169257
Energy: 1.4069811569275044
Energy: 1.6931693585471073
Energy: 1.4069811569130302
Energy: 1.8493335446611834
Energy: 1.6300776968794726
Energy: 1.6988278936491001
Energy: 1.6300782185297058
Energy: 1.817478624117371
Energy: 1.7104642302520878
Energy: 1.706492257210786
Energy: 1.7104642304711788
Energy: 1.9221271672403752
Energy: 1.509972696591282
Energy: 1.7775456596511672
Energy: 1.5099726981052766
Energy: 1.7560708161864742
Energy: 1.3853308645782874
Energy: 1.8715373931641295
Energy: 1.385330858194754
Energy: 1.75428959885972
Energy: 1.801802414659825
Energy: 1.9213045197321905
Energy: 1.8018024022803276
Energy: 1.646535016259833
Energy: 1.3832341842125466
Energy: 1.8007248406701806
Energy: 1.3832431592087595
Energy: 1.6873677732124912
Energy: 1.3897766173621842
Energy: 1.5219037282841568
Energy: 1.3897766174551875
Energy: 1.644968612370663
Energy: 1.423549119978747
Energy: 1.4588480141155875
Energy: 1.423549119902286
Energy: 1.6996953818072489
Energy: 1.3928956223935323
Energy: 1.4613401045419165
Energy: 1.3928956236006016
Energy: 1.5840247982713105
Energy: 1.3674298186339862
Energy: 1.4613482943892517
Energy: 1.3674298212950842
Energy: 1.5862649265399569
Energy: 1.374616217650706
Energy: 1.48679869907896
Energy: 1.3746162176496721
Energy: 1.5819038246963846
Energy: 1.358833534095039
Energy: 1.508411213529612
Energy: 1.3588335340154762
Energy: 1.5107217803840345
Energy: 1.4316833940220097
Energy: 1.8130525517757854
Energy: 1.4316833891607421
Energy: 1.584994746834906
Energy: 1.673587162601373
Energy: 1.840034330507835
Energy: 1.6735871624587428
Energy: 1.6659111712242656
Energy: 1.4335309063247417
Energy: 1.8966731108095987
Energy: 1.4335309114991377
Energy: 1.9699495798464421
Energy: 1.4715486464001506
Energy: 1.8444270970496297
Energy: 1.4715723077485774

minimum gb energy = 1.3522066994076811 eV
minimum distance =  2.23607431002443 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.383431634310495
Energy: 1.5365834739772408
Energy: 1.6717147427887527
Energy: 1.6822994447719632
Energy: 1.731463466184579
Energy: 1.3398887934269499
Energy: 1.5144843358764217
Energy: 1.3399385384561289
Energy: 1.4798620106148657
Energy: 1.3297393569489326
Energy: 1.4982736128000942
Energy: 1.3297401736328518
Energy: 1.3924252605141283
Energy: 1.4016042421136867
Energy: 1.5377388948813169
Energy: 1.4016023824080517
Energy: 1.4796759555419534
Energy: 1.3016794698461394
Energy: 1.6364063819389816
Energy: 1.3016794845128787
Energy: 1.4641927242234998
Energy: 1.277850148469281
Energy: 1.4583952777571592
Energy: 1.2778501478216633
Energy: 1.4773773016525296
Energy: 1.2823902771353586
Energy: 1.469345150364797
Energy: 1.2823902771091367
Energy: 1.5860434570865478
Energy: 1.283528530010146
Energy: 1.4892253683761505
Energy: 1.2835279786540663
Energy: 1.6301356870960382
Energy: 1.343575924712478
Energy: 1.391136387102397
Energy: 1.3435658510858772
Energy: 1.6791348120158214
Energy: 1.3484001693476897
Energy: 1.397402738259326
Energy: 1.3484381985363174
Energy: 1.6841951140803177
Energy: 1.3537544286187864
Energy: 1.6696355628802457
Energy: 1.3539173500162434
Energy: 1.6412643114086847
Energy: 1.6172485758960538
Energy: 1.6501458812329368
Energy: 1.6176409548409547
Energy: 1.674502580889237
Energy: 1.622883096481168
Energy: 1.6583740758642895
Energy: 1.6228851607115642
Energy: 1.686063240117637
Energy: 1.3473247326259443
Energy: 1.6313154152180755
Energy: 1.3472114293449
Energy: 1.83005477946206
Energy: 1.3370493781907618
Energy: 1.408231361446651
Energy: 1.3370493804188592

minimum gb energy = 1.2778501478216633 eV
minimum distance =  2.24375422884471 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.5731221024715094
Energy: 1.3990278704352876
Energy: 1.6106303229124683
Energy: 1.6236791171653626
Energy: 1.7096814248390386
Energy: 1.3117821224169957
Energy: 1.549994987896796
Energy: 1.311783723354383
Energy: 1.38667940171452
Energy: 1.3206665214185134
Energy: 1.5495319997959414
Energy: 1.3206665194861804
Energy: 1.3469153512303056
Energy: 1.320503349812442
Energy: 1.5756595097923167
Energy: 1.3205033051337678
Energy: 1.3576076561896064
Energy: 1.4293333031599882
Energy: 1.6684435644558173
Energy: 1.4298167120408858
Energy: 1.492329419535602
Energy: 1.2135404158829295
Energy: 1.384023334458588
Energy: 1.213540415214269
Energy: 1.5319677553018909
Energy: 1.2088977129019296
Energy: 1.4152373865475523
Energy: 1.2088977129053313
Energy: 1.515057811943229
Energy: 1.2352056869296235
Energy: 1.426936053555879
Energy: 1.2351480530108132
Energy: 1.4863928561103976
Energy: 1.2242282557392852
Energy: 1.3944474298893723
Energy: 1.2242282551261319
Energy: 1.51818749835882
Energy: 1.2269946769723192
Energy: 1.3863231940358938
Energy: 1.226994676953044
Energy: 1.5208686329141883
Energy: 1.22781067727821
Energy: 1.5146184721649625
Energy: 1.2279332175935973
Energy: 1.3552498467376428
Energy: 1.3102053934811992
Energy: 1.6753555746410655
Energy: 1.3102054503648604
Energy: 1.3534610830225295
Energy: 1.3110999200168858
Energy: 1.6883901562653765
Energy: 1.3110999384031428
Energy: 1.5547101373504417
Energy: 1.3529498383251366
Energy: 1.665248936254945
Energy: 1.3529427165095589
Energy: 1.6866541676630629
Energy: 1.6126000567217715
Energy: 1.5505777571257875
Energy: 1.6126000578732447
Energy: 1.664579723960562
Energy: 1.3047530906775031
Energy: 1.5810718295290613
Energy: 1.304753062303085
Energy: 1.5396670413365225
Energy: 1.3376679284268476
Energy: 1.6811992401249816
Energy: 1.3376687437428814
Energy: 1.5399382249332016
Energy: 1.319079400111798
Energy: 1.5591068078938835
Energy: 1.319077771562762
Energy: 1.4718597493302334
Energy: 1.3191290544575063
Energy: 1.7805886010649516
Energy: 1.319128646998969
Energy: 1.6171127086581616
Energy: 1.3012906674402134
Energy: 1.4038059144101698
Energy: 1.3018825962943994
Energy: 2.0163363409027006
Energy: 1.307329529730932
Energy: 1.3573568412833172
Energy: 1.3058171721062228
Energy: 1.647999178245209
Energy: 1.319599989434563
Energy: 1.3489118406380038
Energy: 1.3195935649981805
Energy: 1.4048780735063018
Energy: 1.2155498011393955
Energy: 1.477603953607582
Energy: 1.215549647697169
Energy: 1.4403136915316417
Energy: 1.223238060670156
Energy: 1.463056186655095
Energy: 1.2232380321654486
Energy: 1.4150612624878236
Energy: 1.2321856900593684
Energy: 1.526831050875193
Energy: 1.232185917320807
Energy: 1.4020141791814515
Energy: 1.2217903859341857
Energy: 1.6244756765064892
Energy: 1.2217903936273375
Energy: 1.392958699578561
Energy: 1.2205065719996835
Energy: 1.5222825296235964
Energy: 1.2205065646363265
Energy: 1.502871740210855
Energy: 1.22637478507246
Energy: 1.4788256882416897
Energy: 1.226374783413281
Energy: 1.6468662328781147
Energy: 1.3034490222245105
Energy: 1.3500138124248873
Energy: 1.3033733741060236
Energy: 1.508781913173919
Energy: 1.308295156542407
Energy: 1.3507026136455536
Energy: 1.2979743637773509
Energy: 1.6510350626819597
Energy: 1.3523775656293109
Energy: 1.4890848483592996
Energy: 1.3523818556975113
Energy: 1.5519860239213814
Energy: 1.3071076250112164
Energy: 1.7742058986929936
Energy: 1.307107461784818
Energy: 1.5729398844650508
Energy: 1.614344957467948
Energy: 1.6993648853028236
Energy: 1.6143451031320868
Energy: 1.6111095599657717
Energy: 1.5259931574116712
Energy: 1.55246608487126
Energy: 1.5232886678690047
Energy: 1.833972258023682
Energy: 1.3054576244957654
Energy: 1.371647002004878
Energy: 1.305457615628515

minimum gb energy = 1.2088977129019296 eV
minimum distance =  2.24148763316494 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.6132062496064459
Energy: 1.307521192660754
Energy: 1.4941272259100131
Energy: 1.5055682518390836
Energy: 1.3743382842779988
Energy: 1.236900077769194
Energy: 1.4593217838789219
Energy: 1.236888035671115
Energy: 1.3063537046674305
Energy: 1.236318767246801
Energy: 1.504682059322862
Energy: 1.236277841621562
Energy: 1.279735183038019
Energy: 1.2404822002795215
Energy: 1.5200548979383952
Energy: 1.2405525241905386
Energy: 1.4292880981164608
Energy: 1.3709252374693193
Energy: 1.3755992347329737
Energy: 1.3635489338114308
Energy: 1.3894757183452182
Energy: 1.1485605234052316
Energy: 1.316712934218455
Energy: 1.1485605180645153
Energy: 1.3740751634196207
Energy: 1.150051330040115
Energy: 1.4237205187399442
Energy: 1.1500513300514204
Energy: 1.4834337353392122
Energy: 1.147284415832218
Energy: 1.3659899474299237
Energy: 1.1472389400206968
Energy: 1.3596829290290904
Energy: 1.1271626123703529
Energy: 1.3763878164412322
Energy: 1.127162616914545
Energy: 1.3588243121787587
Energy: 1.1251594376508944
Energy: 1.3649414558491517
Energy: 1.1251594381223762
Energy: 1.4175170181034615
Energy: 1.327920365066164
Energy: 1.506512090992029
Energy: 1.3285995526140413
Energy: 1.3075387204057154
Energy: 1.155261074033398
Energy: 1.468025802698978
Energy: 1.1552609781424859
Energy: 1.30501686707774
Energy: 1.1498920006293951
Energy: 1.4509495318842915
Energy: 1.1498922779254361
Energy: 1.4569105567066951
Energy: 1.221617649673663
Energy: 1.4546869670015399
Energy: 1.2207047591645044
Energy: 1.4362686142141932
Energy: 1.2448003475091998
Energy: 1.2834822576450151
Energy: 1.244806824948365
Energy: 1.5357072939796468
Energy: 1.2340012829874845
Energy: 1.3294360795309543
Energy: 1.2340296926367516
Energy: 1.4156186114569307
Energy: 1.3588697417475797
Energy: 1.442994707336233
Energy: 1.358521121186005
Energy: 1.4900244985559759
Energy: 1.4925745032377136
Energy: 1.6351233531885263
Energy: 1.4932489630704855
Energy: 1.5000970563971738
Energy: 1.2379631586402347
Energy: 1.4363455071739357
Energy: 1.2374317809257378
Energy: 1.449956835210442
Energy: 1.25117315000867
Energy: 1.332549357697158
Energy: 1.2498986758377966

minimum gb energy = 1.1251594376508944 eV
minimum distance =  2.24173157004423 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.5625906542983454
Energy: 1.190128881414012
Energy: 1.4086020685263336
Energy: 1.3566331331056427
Energy: 1.5887426995151293
Energy: 1.1439874934020118
Energy: 1.205532827571003
Energy: 1.1437109650844077
Energy: 1.2242067692095202
Energy: 1.1661565826119493
Energy: 1.4041089385235164
Energy: 1.1661606002922933
Energy: 1.1843096188712614
Energy: 1.1648042261613563
Energy: 1.3609992798276107
Energy: 1.1647515392051409
Energy: 1.3166121359017364
Energy: 1.2680148417617736
Energy: 1.4320551593295472
Energy: 1.2681387571748424
Energy: 1.368153343811375
Energy: 1.0776959590747957
Energy: 1.20750146474847
Energy: 1.0776960456787061
Energy: 1.348448783663295
Energy: 1.0789059944808417
Energy: 1.2258885772839365
Energy: 1.0789059847681617
Energy: 1.3967201849081259
Energy: 1.2186971869738503
Energy: 1.296468052975266
Energy: 1.21893864903956
Energy: 1.227744009064241
Energy: 1.043373790912603
Energy: 1.3379631475111484
Energy: 1.0433737908973704
Energy: 1.2311961912241047
Energy: 1.0332735228193335
Energy: 1.325943618041778
Energy: 1.033273522869567
Energy: 1.2794003932086297
Energy: 1.2176882077488627
Energy: 1.3534192449382998
Energy: 1.2176908653433285
Energy: 1.2892803562451367
Energy: 1.0234177463647602
Energy: 1.2791555835112023
Energy: 1.0234177491861431
Energy: 1.2714843880284414
Energy: 1.0189441062932567
Energy: 1.2684387901753646
Energy: 1.0189441058410171
Energy: 1.3543150051586725
Energy: 1.0421417007062812
Energy: 1.2530946150862656
Energy: 1.042141640932095
Energy: 1.3526437012264994
Energy: 1.0317107464903272
Energy: 1.2505684247906863
Energy: 1.0317107469060085
Energy: 1.338216324503509
Energy: 1.0392731500802452
Energy: 1.2287118034581803
Energy: 1.0392731497346002
Energy: 1.2387635303748916
Energy: 1.07214437397963
Energy: 1.348463605577201
Energy: 1.075701956348745
Energy: 1.2000491499129031
Energy: 1.088796340544461
Energy: 1.3156195920713287
Energy: 1.0887963310784479
Energy: 1.2146379528563462
Energy: 1.0841430893841515
Energy: 1.3886044315279154
Energy: 1.0841403819047748
Energy: 1.2838759248459573
Energy: 1.1596395452652493
Energy: 1.2663763496956002
Energy: 1.1580847819680353
Energy: 1.4164358550527942
Energy: 1.1814325354300945
Energy: 1.243148460140173
Energy: 1.1814314946682356
Energy: 1.3163973050921964
Energy: 1.144919602619768
Energy: 1.1808549132091561
Energy: 1.1443074121098398
Energy: 1.195250696472712
Energy: 1.1607532739483366
Energy: 1.5339730781045142
Energy: 1.160761765173656
Energy: 1.3410226362340147
Energy: 1.3445428190033564
Energy: 1.3937059995278496
Energy: 1.3445386433213555
Energy: 1.246167900113111
Energy: 1.2431861365119292
Energy: 1.216216268256314
Energy: 1.2769474007846482
Energy: 1.4556605014117499
Energy: 1.1623164396073884
Energy: 1.2101813550888088
Energy: 1.1623205850870988

minimum gb energy = 1.0189441058410171 eV
minimum distance =  2.23718318050026 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.5052986303530813
Energy: 1.1266929241927355
Energy: 1.2803574183607485
Energy: 1.2496698964056128
Energy: 1.1845541798573302
Energy: 1.0786312792435662
Energy: 1.1964585324587709
Energy: 1.0722359073090606
Energy: 1.1333263907828903
Energy: 1.0790176747994606
Energy: 1.3473403104403798
Energy: 1.0823280966255997
Energy: 1.1198375640739184
Energy: 1.0829047407726213
Energy: 1.3817027491065363
Energy: 1.0848317026123633
Energy: 1.2666784744934263
Energy: 1.0265846431135153
Energy: 1.286531581597527
Energy: 1.0303722640881
Energy: 1.3127517254777208
Energy: 1.0336148882698093
Energy: 1.1253265405221131
Energy: 1.0336148282949158
Energy: 1.3416382357988565
Energy: 1.0170827225884742
Energy: 1.131022806636364
Energy: 1.0170816636500493
Energy: 1.2855716535471569
Energy: 1.1421102645082957
Energy: 1.2093136762286016
Energy: 1.1465408256988834
Energy: 1.1239275043765973
Energy: 0.9793827559290501
Energy: 1.2820061470876973
Energy: 0.9793827560501305
Energy: 1.12843232350286
Energy: 0.9740668143897007
Energy: 1.2586778442808302
Energy: 0.9740668145282647
Energy: 1.1974710193662403
Energy: 0.9692239324501409
Energy: 1.227176116283373
Energy: 0.9692314011244327
Energy: 1.272177872289767
Energy: 0.9426019962211568
Energy: 1.1553213873339672
Energy: 0.9426019961187523
Energy: 1.240936072697372
Energy: 0.9505908220976923
Energy: 1.1596918944036294
Energy: 0.9505908205423239
Energy: 1.2176201120243213
Energy: 0.9507200439967504
Energy: 1.1937478917550193
Energy: 0.9507200439892575
Energy: 1.2104867862607358
Energy: 0.9360627146465225
Energy: 1.225101633214387
Energy: 0.9360627146465225
Energy: 1.195825262062942
Energy: 0.942785313593113
Energy: 1.2054470460556574
Energy: 0.9427853113586615
Energy: 1.1667113402921019
Energy: 0.9544856034479788
Energy: 1.2379956354822437
Energy: 0.9544856347274028
Energy: 1.1622217711240073
Energy: 0.9398547702585189
Energy: 1.2816467235293874
Energy: 0.939854770280998
Energy: 1.1890058113976978
Energy: 0.9482101760107907
Energy: 1.2330485416814747
Energy: 0.9482101462068095
Energy: 1.257609304619434
Energy: 0.9787152007748257
Energy: 1.1442035423017365
Energy: 0.978715236792731
Energy: 1.3369999787756837
Energy: 0.96944288699361
Energy: 1.1327504449981685
Energy: 0.9694428855319043
Energy: 1.284474558879938
Energy: 0.9861736673312411
Energy: 1.239954148599718
Energy: 0.9861751752041147
Energy: 1.1383988742796896
Energy: 1.0417554296864393
Energy: 1.2885292538092634
Energy: 1.0417554515413527
Energy: 1.1046896214134998
Energy: 1.0305258028119417
Energy: 1.3022423357531796
Energy: 1.0305279933750182
Energy: 1.156796921521203
Energy: 1.03339874835398
Energy: 1.2977568505389692
Energy: 1.0333898826292565
Energy: 1.356781034617624
Energy: 1.1006790184212474
Energy: 1.1110246863614672
Energy: 1.1006772084442815
Energy: 1.3955222489476458
Energy: 1.1010752200935146
Energy: 1.1678394302648736
Energy: 1.1010519115656083
Energy: 1.3558450257193535
Energy: 1.1983802135372106
Energy: 1.134247290019666
Energy: 1.1672868722165577
Energy: 1.226145612828955
Energy: 1.1062724932911072
Energy: 1.3731947008210548
Energy: 1.1062726005896741
Energy: 1.1141783456768175
Energy: 1.1056755904513451
Energy: 1.3462428745349204
Energy: 1.105675581051754
Energy: 1.249347879492228
Energy: 1.0873068315566006
Energy: 1.2319068916053184
Energy: 1.0975377773000117
Energy: 1.339446056986731
Energy: 1.101328723022438
Energy: 1.1501125575985476
Energy: 1.1082865388307446

minimum gb energy = 0.9360627146465225 eV
minimum distance =  2.23737083130982 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.3471933180008335
Energy: 1.1952069811348258
Energy: 1.1847831532989608
Energy: 1.1694067772710812
Energy: 1.1871160021031082
Energy: 1.1044047641518153
Energy: 1.122265182463208
Energy: 1.104405876364722
Energy: 1.10525984846181
Energy: 1.0571660649308603
Energy: 1.2199306609293143
Energy: 1.0571666432674607
Energy: 1.026945249602792
Energy: 1.0358783966831153
Energy: 1.2513301932883463
Energy: 1.0358795760147368
Energy: 1.1956121410616787
Energy: 1.0924250308410783
Energy: 1.1446068805020082
Energy: 1.088213641905541
Energy: 1.2088095867054458
Energy: 0.9927092377228538
Energy: 1.0529175422953352
Energy: 0.9927092394887952
Energy: 1.241371179594904
Energy: 0.9708116602322236
Energy: 1.0368337624992607
Energy: 0.970811629836322
Energy: 1.1425264405265696
Energy: 1.1982544764640919
Energy: 1.1418077481704532
Energy: 1.1596659789384016
Energy: 1.0486761542598224
Energy: 0.9268025866915822
Energy: 1.2476118047010982
Energy: 0.9268025885358113
Energy: 1.0461453613144944
Energy: 0.9244057200601096
Energy: 1.248252168804942
Energy: 0.9244057125171448
Energy: 1.1548002089520824
Energy: 0.9072763000781642
Energy: 1.137069927383291
Energy: 0.9072769184611429
Energy: 1.2050573616853735
Energy: 0.8916401028850689
Energy: 1.068883082008357
Energy: 0.89164046979221
Energy: 1.214968295439904
Energy: 0.8998225200077066
Energy: 1.0635972405134475
Energy: 0.899822519379579
Energy: 1.1350287014820077
Energy: 0.8895593041228007
Energy: 1.1584196972717467
Energy: 0.8895575068872068
Energy: 1.0929129887934994
Energy: 0.8693514533596141
Energy: 1.2231901591721948
Energy: 0.8693514532168403
Energy: 1.0905740997802447
Energy: 0.8846634468329599
Energy: 1.149917227904759
Energy: 0.8846634478365117
Energy: 1.133979789254965
Energy: 0.8772639997686318
Energy: 1.1319454001331317
Energy: 0.8772639998987103
Energy: 1.1640876779634282
Energy: 0.8615183817973203
Energy: 1.1604933779273763
Energy: 0.8615183817762098
Energy: 1.1382803205080694
Energy: 0.8764297348901355
Energy: 1.1261026678311243
Energy: 0.8764297348700347
Energy: 1.1438207109978096
Energy: 0.8762766143829203
Energy: 1.1015315484369919
Energy: 0.8762766116990718
Energy: 1.2107104762591163
Energy: 0.8749345188764268
Energy: 1.1064725774264201
Energy: 0.8749345188764268
Energy: 1.1597445885209894
Energy: 0.8935335954990044
Energy: 1.1324505550864439
Energy: 0.8935335962677896
Energy: 1.089800702497378
Energy: 0.8996608040820158
Energy: 1.1858024680731634
Energy: 0.8996608049946329
Energy: 1.0702856059579935
Energy: 0.8893755641678452
Energy: 1.2461375925368423
Energy: 0.8893755652876743
Energy: 1.1344334318898088
Energy: 0.9169530892076974
Energy: 1.155872185600137
Energy: 0.9169535254911961
Energy: 1.2399134069552853
Energy: 0.9271298325977284
Energy: 1.0705090764638638
Energy: 0.9271298377920192
Energy: 1.21879799645822
Energy: 0.924354443884184
Energy: 1.061593717440255
Energy: 0.9243545066703955
Energy: 1.1705723352635342
Energy: 1.0867674257052395
Energy: 1.1232658620617133
Energy: 1.0861567739947997
Energy: 1.0661310506677009
Energy: 0.9715148012982081
Energy: 1.2520597280219508
Energy: 0.9715148138874001
Energy: 1.0655559025251784
Energy: 0.9854412747890425
Energy: 1.2430641473262178
Energy: 0.9854405003150178
Energy: 1.2829728106469964
Energy: 1.056603782162161
Energy: 1.2022644022309497
Energy: 1.0725524900799288
Energy: 1.2417819674704316
Energy: 1.0444650296441342
Energy: 1.0874489506270903
Energy: 1.0443651219916517
Energy: 1.2252604858105716
Energy: 1.0543258835780984
Energy: 1.1305812819931804
Energy: 1.0200131075600771
Energy: 1.106191824591938
Energy: 0.9768922178644152
Energy: 1.1944934000470195
Energy: 0.9770434321574911
Energy: 1.2155221501263498
Energy: 1.2247821757900523
Energy: 1.3620494187491106
Energy: 1.2155375110455018
Energy: 1.0811589207905998
Energy: 1.057555886706382
Energy: 1.2785904757860094
Energy: 1.0575599589677878
Energy: 1.226936085340888
Energy: 1.0293094433292242
Energy: 1.1271701161510934
Energy: 1.0292193545655677

minimum gb energy = 0.8615183817762098 eV
minimum distance =  2.22703980674674 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.2911868068641321
Energy: 0.9316298896617672
Energy: 1.0095297127808527
Energy: 1.0161500238422678
Energy: 1.0086683506455156
Energy: 0.9653529074227559
Energy: 1.0070402402405123
Energy: 0.9663335018631768
Energy: 0.9418887755233345
Energy: 0.8979423845537596
Energy: 0.9902409645973614
Energy: 0.8976026249972091
Energy: 0.9139561406000762
Energy: 0.9012902373798888
Energy: 1.0663893884696225
Energy: 0.9012881794209694
Energy: 0.9958439660761261
Energy: 0.9397103089177494
Energy: 1.0108403311151712
Energy: 0.9329423916519715
Energy: 1.0636455094604258
Energy: 0.8562636558951766
Energy: 0.9553335522360086
Energy: 0.858118394672177
Energy: 1.0879596750943086
Energy: 0.8682883514292653
Energy: 0.9923567629077884
Energy: 0.8682874162985511
Energy: 1.0929288677839921
Energy: 1.061384992092948
Energy: 1.0039063677727607
Energy: 1.035813775466353
Energy: 0.952399594873209
Energy: 0.8242916501704303
Energy: 1.0497855608921092
Energy: 0.8242914164405006
Energy: 0.9470186909457124
Energy: 0.8246912127802549
Energy: 1.0465217666166073
Energy: 0.8246912841717691
Energy: 1.061038594188708
Energy: 0.8179526090627924
Energy: 1.0587625097967113
Energy: 0.817584509329929
Energy: 1.0796706128828617
Energy: 0.8066931866853564
Energy: 0.9679281843350063
Energy: 0.8066931933181583
Energy: 1.1006393800035932
Energy: 0.812164436596602
Energy: 1.0113133722658953
Energy: 0.8121644743894156
Energy: 1.0430923664332863
Energy: 0.8007262734631133
Energy: 1.071185531192872
Energy: 0.8007417635020068
Energy: 0.9933062259533184
Energy: 0.797054412624103
Energy: 1.1150974171391386
Energy: 0.797054424407588
Energy: 1.0258547063814618
Energy: 0.8086200506780356
Energy: 1.0808699994703177
Energy: 0.8086200644856629
Energy: 1.0903795446272317
Energy: 0.8007692615635883
Energy: 1.0538764553731754
Energy: 0.8007692706919256
Energy: 1.0902254868225447
Energy: 0.7906510373068253
Energy: 1.0271758864844112
Energy: 0.7906510373682805
Energy: 1.0603296585070627
Energy: 0.801052228578617
Energy: 1.0316240923072073
Energy: 0.8010521279952627
Energy: 1.067020530674167
Energy: 0.7979029197460408
Energy: 1.0579270446230735
Energy: 0.7979032612708522
Energy: 1.0612898980524914
Energy: 0.7918611949898979
Energy: 1.0691588589585186
Energy: 0.791861194975217
Energy: 1.0350626539159857
Energy: 0.8071000591611894
Energy: 1.0506874342756325
Energy: 0.807097193040248
Energy: 1.0281597128281388
Energy: 0.7987103554530193
Energy: 1.0883032329735611
Energy: 0.7987103561399534
Energy: 1.0255992907306626
Energy: 0.7905429021334187
Energy: 1.1018590322886006
Energy: 0.7905429020435402
Energy: 1.0372644793973407
Energy: 0.7994817294798358
Energy: 1.0395448905754423
Energy: 0.7994889005037676
Energy: 1.1102466026200737
Energy: 0.8052296521686665
Energy: 1.0010827284896102
Energy: 0.8052296480369259
Energy: 1.1502900380841494
Energy: 0.7983169821243519
Energy: 0.99485240533714
Energy: 0.7983169794325229
Energy: 1.0126018343700098
Energy: 0.9381197136085072
Energy: 1.0527435213396006
Energy: 0.9386882115087098
Energy: 0.9694706818428225
Energy: 0.8085957282171322
Energy: 1.0822375913072264
Energy: 0.8085957275118468
Energy: 0.9726830228557561
Energy: 0.8113326483619517
Energy: 1.0625204877927479
Energy: 0.8113328292478225
Energy: 1.0548375549204025
Energy: 0.8266790217970685
Energy: 1.0035342078771579
Energy: 0.8353342052567383
Energy: 1.069832945392437
Energy: 0.8271140430904579
Energy: 0.9550916172344676
Energy: 0.8271140532075
Energy: 0.9590263960835127
Energy: 0.8294741749631195
Energy: 0.9838147552394001
Energy: 0.8294321507623735
Energy: 1.0112628461823825
Energy: 0.8582894296910251
Energy: 1.096881040939307
Energy: 0.8583558270231338
Energy: 0.9271560692883435
Energy: 0.8597851995183576
Energy: 1.1102320576978306
Energy: 0.8597852092887107
Energy: 0.951916534733438
Energy: 0.8611550019657248
Energy: 0.9264966532505208
Energy: 0.8611585077231724
Energy: 1.0210147176033955
Energy: 0.9635481055513296
Energy: 0.9408160232305711
Energy: 0.9523822189520504
Energy: 0.9695493958629653
Energy: 0.8978630555151792
Energy: 0.9533582355341246
Energy: 0.897874448332249
Energy: 1.0456397591051616
Energy: 0.8937326589527508
Energy: 0.949247011533178
Energy: 0.8929792682468599
Energy: 0.9908662529383071
Energy: 0.859485228221442
Energy: 1.091656240885621
Energy: 0.8594625813248193
Energy: 1.0055678168817996
Energy: 0.9007141629224341
Energy: 1.0010712346921777
Energy: 0.8924694856571123
Energy: 0.9955417526748972
Energy: 0.8566134567099903
Energy: 0.9182693868881231
Energy: 0.8581996428982315
Energy: 1.0112410878966482
Energy: 0.9037135011000441
Energy: 0.9682465518811012
Energy: 0.9037334053326713

minimum gb energy = 0.7905429020435402 eV
minimum distance =  2.23802821411688 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01497629532175048
Energy: 0.015157231329346616
Energy: 1.0232642173594353
Energy: 0.1790401795783237
Energy: 0.016119711136360997
Energy: 0.10989877820743306
Energy: 0.11267074568793423
Energy: 0.10989886529549488
Energy: 0.11077044844714824
Energy: 0.11922474519364516
Energy: 0.015853032826384787
Energy: 0.1226406812212498
Energy: 0.10841891049026721
Energy: 0.18756153993485572
Energy: 0.016929967516665034
Energy: 0.20556708782687802
Energy: 0.11184926814209327
Energy: 0.22827222009114578
Energy: 0.11249919701229645
Energy: 0.21903951851405382
Energy: 0.01580526059782378
Energy: 0.11045292277824703
Energy: 0.11117538921287509
Energy: 0.11059181084976136

minimum gb energy = 0.01497629532175048 eV
minimum distance =  2.45559832161505 Angstroms
sigma value = 1