Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8733648657798767
cohesive_energy=3.5548447438664135
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3086578746511998e-19, 1.6615372782896999e-19, 2.04399286259184e-19, 2.45967759028314e-19, 2.8642111686018e-19, 3.2228103428236796e-19, 3.5422843636432802e-19, 3.8301314177077195e-19, 4.0893796188552596e-19, 4.3240023651382196e-19, 4.53701174862852e-19, 4.728648095821259e-19, 4.8992158202769e-19, 5.04961214091048e-19, 5.18121492962724e-19, 5.295353993033399e-19, 5.39311881124008e-19, 5.4753585378633e-19, 5.5428902829864e-19, 5.597380310308739e-19, 5.63983799110974e-19, 5.67039149952012e-19, 5.68886459611014e-19, 5.69504899791738e-19, 5.688159638391179e-19, 5.66555292608544e-19, 5.624008485965819e-19, 5.560065616502879e-19, 5.46981500670966e-19, 5.348674431412919e-19, 5.19111638122536e-19, 4.99033160545248e-19, 4.736883283720019e-19, 4.4176816329282e-19, 4.0180026498105593e-19, 3.52506096482778e-19, 2.9055152822263196e-19, 2.1147930480482998e-19, 1.0852022995072199e-19, -2.61385504777296e-20, -2.0323450384626597e-19, -4.371298619373899e-19, -7.462554238779839e-19, -1.1548296916675919e-18, -1.6956155752948798e-18, -2.41204487895432e-18, -3.3670222616500198e-18, -4.65828049805598e-18, -6.446870383421879e-18, -8.95509392571522e-18, -1.245322230132546e-17, -1.73701581951744e-17, -2.3881564253413797e-17, -3.1800001831631996e-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: -0.358415833 eV

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

Energy: 0.0146269106743924
Energy: 0.015522303108013086
Energy: 0.34139461317505126
Energy: 0.9922680024488025
Energy: 0.9969422033690676
Energy: 0.31503867207351693
Energy: 0.01568565036403396
Energy: 0.015263475450442699
Energy: 0.8820398870949075
Energy: 0.23579962161267407
Energy: 0.3383793352150461
Energy: 0.830974034316082
Energy: 0.01583961630779706
Energy: 0.10353457137298644
Energy: 0.015075443597083668
Energy: 0.8815218903857927
Energy: 0.5185334934807238
Energy: 0.5192576166226435
Energy: 0.8341905392560265
Energy: 0.10189604566753489
Energy: 0.10357888065047328
Energy: 0.017304590379025573
Energy: 0.6398236516694236
Energy: 0.3402577837054003
Energy: 0.9923273617145087
Energy: 0.9933580335901003
Energy: 0.10237473815607319
Energy: 0.015575618623175518
Energy: 0.10212892511620925
Energy: 0.88281684425461
Energy: 0.2356360613360217
Energy: 0.3382593746027866
Energy: 0.6392810889184166
Energy: 0.015620093534122617
Energy: 0.10265801896553726
Energy: 0.014999979686298084
Energy: 0.6414749090350258
Energy: 0.5180875907893863
Energy: 0.5193482380463597
Energy: 0.8347857383602479
Energy: 0.10186852009943348
Energy: 0.10328352038445673

minimum gb energy = 0.0146269106743924 eV
minimum distance =  2.71583202762452 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.1516587729757488
Energy: 1.0749235586043682
Energy: 1.15377629624068
Energy: 1.1078082163183656
Energy: 1.0757713789837189
Energy: 1.2488728963300157
Energy: 1.0762903525120848
Energy: 1.0371639560008172
Energy: 1.079397710344102
Energy: 0.9959637874920074
Energy: 1.0898134646710183
Energy: 1.0803034880173852
Energy: 1.0007221172978804
Energy: 1.079606717040153
Energy: 1.2469459960512874
Energy: 1.1070758018558158
Energy: 1.1606035821607905
Energy: 1.060148649566417
Energy: 1.0756916201251205
Energy: 1.1696153341965463
Energy: 1.102291184405003
Energy: 0.9964772325701963
Energy: 1.1110684871235035
Energy: 1.0290126619290099
Energy: 1.1796501296385558
Energy: 1.0987084498614335
Energy: 1.0079102226101866
Energy: 1.1103894722224739
Energy: 1.0207712158207638
Energy: 1.0260980261241806
Energy: 1.0161476336543862
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Energy: 1.1056769532263762
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Energy: 1.0531618478385945
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Energy: 1.0242753940289455
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Energy: 1.0908503510426226
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Energy: 1.116909937749142
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Energy: 1.1411615112466331
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Energy: 1.0805766366443317
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Energy: 1.0799198947821522
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Energy: 1.0909121486685567
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Energy: 1.070440964273541
Energy: 1.0783896662159853
Energy: 1.019923642820801
Energy: 1.0671975974405932
Energy: 1.1599862942516124
Energy: 1.0411093723918208
Energy: 1.0286411169503957
Energy: 1.077112161528872
Energy: 1.0162247951028929
Energy: 1.1310098178217358
Energy: 1.0755108451699709
Energy: 0.9921925403250244
Energy: 1.126336000112149
Energy: 0.9971891182186544
Energy: 1.0109808143896355
Energy: 1.1094928422060173
Energy: 1.0500882249086319
Energy: 1.083410593112673
Energy: 1.2072661800934508
Energy: 1.1069864223730808
Energy: 1.0514730146093427
Energy: 1.1088090600031966
Energy: 1.1153236637345814
Energy: 1.0502601128594384
Energy: 1.0256475984087419
Energy: 1.0244089947016577
Energy: 1.0929999138876305
Energy: 1.0042533728455523
Energy: 1.0571135388269475
Energy: 1.1246695210396367
Energy: 1.045913977048138
Energy: 1.0847454138914814
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Energy: 1.0824988963390212
Energy: 1.0622175842513397
Energy: 1.0751568286910949
Energy: 1.023156236252702
Energy: 1.03301758805222
Energy: 1.005432473717062

minimum gb energy = 0.9919258635912144 eV
minimum distance =  2.43493623007071 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.1362996132864347
Energy: 1.0468831529176936
Energy: 1.0866736016131753
Energy: 1.090436494430493
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Energy: 1.066148567634067
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Energy: 1.0181363149286982
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Energy: 1.0320622548629401
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Energy: 1.1104633684183274
Energy: 1.1234481402077507
Energy: 1.0308746988944724
Energy: 1.0338322932825175
Energy: 1.019349479984662
Energy: 1.0318581343614939
Energy: 1.142540444092482
Energy: 1.0982691430902183
Energy: 1.1277580168209007
Energy: 1.0434636124472982
Energy: 1.0499732238414299
Energy: 1.0257641975414085
Energy: 1.0682398355907345
Energy: 1.1466389102520924
Energy: 1.0789220663424162
Energy: 1.0642676347183337
Energy: 1.099685037607178
Energy: 1.0654312537367456
Energy: 1.0610338231086778
Energy: 1.0649554317905343
Energy: 1.0912434542450042
Energy: 1.0400255278217785
Energy: 1.1054993550013867
Energy: 1.0644976563495268
Energy: 1.0864420944555842
Energy: 1.0373691139272874
Energy: 1.0922813606980748
Energy: 1.0550279637269995
Energy: 1.0166962739755283
Energy: 1.0399428278543446
Energy: 1.0879578576498596
Energy: 1.032381263066356
Energy: 1.0256869905317314
Energy: 1.054299460443166
Energy: 1.031392170310141
Energy: 1.0320478211203963
Energy: 1.062607155028375
Energy: 1.0877686010671839
Energy: 1.0201920537199685
Energy: 1.0239825420748423
Energy: 1.0632252365590498
Energy: 1.0177519874683694
Energy: 1.028062856332793
Energy: 1.0845047285290932
Energy: 1.0578615291794111
Energy: 1.025060017706686
Energy: 1.0968199412826591
Energy: 1.1235956668254985
Energy: 1.047909808404303
Energy: 1.1989196985842523
Energy: 1.0669229880217097
Energy: 1.016494838045209
Energy: 1.0779644729296154
Energy: 1.0508459469454996
Energy: 1.1323025825728374
Energy: 1.1325518624539026
Energy: 1.0382475190402998
Energy: 1.064417307041704
Energy: 1.064527300858683
Energy: 1.0458404327351756
Energy: 1.0306107444503394
Energy: 1.024908162337295
Energy: 1.1688582843840778
Energy: 1.1756026358598297
Energy: 1.1104452769919892
Energy: 1.0398518845365172
Energy: 1.0781647032991766
Energy: 1.0206574880249706
Energy: 1.0319214668191268
Energy: 1.095173204528723
Energy: 1.0371781007880165
Energy: 1.0633042338755307
Energy: 1.0323400427369016
Energy: 1.0475698247680598
Energy: 1.0177111018069367
Energy: 1.0382894158214018
Energy: 1.145206986505457
Energy: 1.0427465016373334
Energy: 1.092882266664175
Energy: 1.015801596028341
Energy: 1.0569576231752793
Energy: 1.0269880639012583
Energy: 1.0689523416448758
Energy: 1.1209030573378107
Energy: 1.0684202507419907
Energy: 1.0658603692882138
Energy: 1.0175744231696684
Energy: 1.0517953479723507
Energy: 1.1098689085172389
Energy: 1.0568045081555746
Energy: 1.071412634422113
Energy: 1.021956754401056
Energy: 1.081985813216054
Energy: 1.066962246235177
Energy: 1.0848413576992268
Energy: 1.0616700345956704
Energy: 1.0743544813164179
Energy: 1.0745609057674594
Energy: 1.0219329925336493
Energy: 1.0331531352763552
Energy: 1.0465161855135758
Energy: 1.018125387007893
Energy: 1.0350077878188864
Energy: 1.0553513974011244
Energy: 1.0606964839161641

minimum gb energy = 1.0075028682049378 eV
minimum distance =  2.44870578175158 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.0432434448583157
Energy: 1.0502558596375624
Energy: 1.102849308694291
Energy: 1.0237346435181394
Energy: 1.0810026767335235
Energy: 1.081806658113025
Energy: 1.0163277100934758
Energy: 1.0619760237938818
Energy: 1.065208897693126
Energy: 1.0388262386128024
Energy: 1.0596912339421833
Energy: 1.0906033113269826
Energy: 1.0608451573459288
Energy: 1.1089954161206226
Energy: 1.059066979267312
Energy: 1.0343180175610873
Energy: 1.0709198474621497
Energy: 1.0311511489162968
Energy: 1.0965628630600357
Energy: 1.0617262297353631
Energy: 1.0728983041454183
Energy: 1.0710788245535972
Energy: 1.0575784249610098
Energy: 1.0798382656260852
Energy: 1.1043544304003872
Energy: 1.1195603278719957
Energy: 1.0385997910661757
Energy: 1.0647183439112229
Energy: 1.0853683613541873
Energy: 1.055813590217774
Energy: 1.0689651314721842
Energy: 1.140272629106015
Energy: 1.0699202871577862
Energy: 1.1570229198855428
Energy: 1.103101664422483
Energy: 1.0366319135383892
Energy: 1.0694183452502164
Energy: 1.0536125435247998
Energy: 1.0764824972635194
Energy: 1.0789808483192151
Energy: 1.0493929304538065
Energy: 1.0632992499432852
Energy: 1.0336745311075635
Energy: 1.056923364698511
Energy: 1.0624608087822043
Energy: 1.049976268810258
Energy: 1.1014444112973922
Energy: 1.0756930880860616
Energy: 1.0310932323819273
Energy: 1.057838634642805
Energy: 1.0646622588173469
Energy: 1.050771627627348
Energy: 1.1165016093818156
Energy: 1.07815720018633
Energy: 1.0713417517463169
Energy: 1.0794475397305656
Energy: 1.044580006504111
Energy: 1.0469502239970678
Energy: 1.0569971682186488
Energy: 1.0290764324161665
Energy: 1.0701637056734272
Energy: 1.0316562463325256
Energy: 1.047405671417203
Energy: 1.056492963941668
Energy: 1.0439369846960707
Energy: 1.0388858429174754
Energy: 1.0759347480773858
Energy: 1.1007194246082916
Energy: 1.0185752741975709
Energy: 1.0613223411444794
Energy: 1.0925505145963759
Energy: 1.056660184583926
Energy: 1.096612825487311
Energy: 1.0872243796912207
Energy: 1.0809882551779453
Energy: 1.1856084836715257
Energy: 1.0638423909667207
Energy: 1.038901326835746
Energy: 1.0480107769554443
Energy: 1.0701902901677751
Energy: 1.1107189375846156
Energy: 1.0401723752667775
Energy: 1.0683879942760002
Energy: 1.1099725295949605
Energy: 1.0960562014599906
Energy: 1.0620409878267274
Energy: 1.1403309535557404
Energy: 1.0206035396119157
Energy: 1.1132174089052829
Energy: 1.0765157535070515
Energy: 1.068035177407809
Energy: 1.057384487000904
Energy: 1.2215724709125138
Energy: 1.0977563410081004
Energy: 1.1331391521473508
Energy: 1.1005881227329324
Energy: 1.139861657882795
Energy: 1.0513042487342328
Energy: 1.0640733618762093
Energy: 1.1150368310294088
Energy: 1.0568763169838522
Energy: 1.065848175308783
Energy: 1.0764153744162397
Energy: 1.0504424892621462
Energy: 1.060210806833721
Energy: 1.0607413027148307
Energy: 1.114374909888678
Energy: 1.0394537492541147
Energy: 1.075549480049274
Energy: 1.101940412072679
Energy: 1.029044775625963
Energy: 1.037868691460511
Energy: 1.0917861315235475
Energy: 1.144011112255319
Energy: 1.060419850100281
Energy: 1.083014878622184
Energy: 1.066252565078398
Energy: 1.1344737632961464
Energy: 1.0657379237231779
Energy: 1.0209430201702723
Energy: 1.1071728901894673
Energy: 1.045115210935636
Energy: 1.0687789948653377
Energy: 1.073499224607811
Energy: 1.0342384512854712
Energy: 1.050193093512156
Energy: 1.1140780215729094
Energy: 1.0741103388372155
Energy: 1.0459281659451258
Energy: 1.0260086138022557
Energy: 1.1276397718795848
Energy: 1.0785218501573093
Energy: 1.0509237493513544
Energy: 1.1410566382305276
Energy: 1.2037545453434615
Energy: 1.1152169744559872
Energy: 1.135045492191882
Energy: 1.171855805112797
Energy: 1.0705265597516527
Energy: 1.0947411633784343
Energy: 1.0795455468579682
Energy: 1.0711643424156718
Energy: 1.0996126967030195
Energy: 1.0308887637750899
Energy: 1.1090300152167947
Energy: 1.0349899289465883
Energy: 1.0554464913407287
Energy: 1.050031515132338
Energy: 1.101416827250866
Energy: 1.053290260506944
Energy: 1.0590625582834707
Energy: 1.077119805970566
Energy: 1.03633928686512
Energy: 1.052852812903699
Energy: 1.072954334003256
Energy: 1.0573968951639496
Energy: 1.0989728090442004
Energy: 1.194423512909039
Energy: 1.1013342484406419
Energy: 1.078242319926292
Energy: 1.08742972883773
Energy: 1.1006952053050802
Energy: 1.102179792037153
Energy: 1.0445177533625236
Energy: 1.088158857716023
Energy: 1.060470234268288
Energy: 1.0422207413395368
Energy: 1.1060694910211915
Energy: 1.0713041888989592
Energy: 1.065836000397145
Energy: 1.0889787359310132
Energy: 1.0407357621733517
Energy: 1.1263123691929522
Energy: 1.022218914054906
Energy: 1.0908768725862974
Energy: 1.0896243892376776
Energy: 1.1619916337007323
Energy: 1.07871290449767
Energy: 1.1085249024880233
Energy: 1.143382148078556
Energy: 1.1455937139287036
Energy: 1.0506449632069566
Energy: 1.0614386573585677
Energy: 1.0699910807151685
Energy: 1.0550704129004211
Energy: 1.0316290399720227
Energy: 1.138014006682298
Energy: 1.0395066543790799
Energy: 1.0380949182802894
Energy: 1.0439374357602467
Energy: 1.0729630645781156
Energy: 1.0588508379711095
Energy: 1.0917366801112958
Energy: 1.0631634367471394
Energy: 1.0471808450048405
Energy: 1.0619921563680583
Energy: 1.0635596400320453
Energy: 1.1205177922050868
Energy: 1.1168763103631247
Energy: 1.0565580378225485
Energy: 1.0698532732609705
Energy: 1.1640229266484765
Energy: 1.0531233638208233
Energy: 1.0723761786325812
Energy: 1.1229649012730092
Energy: 1.0450992799766536
Energy: 1.030677406003482
Energy: 1.0895067901074162
Energy: 1.025981507657721
Energy: 1.076776310052448
Energy: 1.0986752358389016
Energy: 1.0578841797755392
Energy: 1.12077337147108
Energy: 0.9946332062263137
Energy: 1.0485340471203555
Energy: 1.033163826829108
Energy: 1.057935376339439
Energy: 1.0631568374036475
Energy: 1.0470008340831531
Energy: 1.0994366391205923
Energy: 1.1294578053783342
Energy: 1.1192798537005277
Energy: 1.1288714110429896
Energy: 1.0932809116375786
Energy: 1.0469762364661936
Energy: 1.0904197529561197
Energy: 1.0342978369982523
Energy: 1.0302723236471916
Energy: 1.1144568416209908
Energy: 1.0485953796790277
Energy: 1.1043649180164596
Energy: 1.0911758058298895
Energy: 1.0720072091151462
Energy: 1.0415665548858035
Energy: 1.0547524471122833
Energy: 1.0668127697321814
Energy: 1.0440474516691964
Energy: 1.0849367591227923
Energy: 1.0817930289190034
Energy: 1.0580497343177306
Energy: 1.0640532582116493
Energy: 1.0888927694138193
Energy: 1.0836599808338503
Energy: 1.15851783062437
Energy: 1.1239073720549826
Energy: 1.0416111552128662
Energy: 1.047247019368863
Energy: 1.092612462780431
Energy: 1.078284722620079
Energy: 1.0742745421297688
Energy: 1.056329642596715
Energy: 1.0245447227916986

minimum gb energy = 0.9946332062263137 eV
minimum distance =  2.45027915417485 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9744057363537086
Energy: 1.0095906833967485
Energy: 1.340991770631815
Energy: 1.187571867559277
Energy: 1.111789152274735
Energy: 1.117979520245657
Energy: 0.9538089470574359
Energy: 0.9575055852074135
Energy: 1.065711996461258
Energy: 1.110736470487493
Energy: 1.0833204370078748
Energy: 1.0288896343901361
Energy: 1.0365154149882103
Energy: 1.0496609509403343
Energy: 1.0383915062424232
Energy: 1.0205887510054847
Energy: 1.0314870228897475
Energy: 1.0780592663927695
Energy: 1.0284802007350875
Energy: 1.038179995170142
Energy: 1.0366945581385236
Energy: 1.0306323694602033
Energy: 1.0177492797170333
Energy: 1.1280470003292877
Energy: 1.031893565875252
Energy: 1.0770793246421524
Energy: 1.0366919329505138
Energy: 1.134326719846234
Energy: 1.0404527563333517
Energy: 1.0281580903611924
Energy: 1.1229562422514443
Energy: 1.040807093131544
Energy: 1.125279459814167
Energy: 1.0374585673263261
Energy: 1.0362887792611202
Energy: 0.9533672721054887
Energy: 1.0295992062862833
Energy: 1.0307902590841322
Energy: 1.0253288280847708
Energy: 1.0691176582640753
Energy: 1.0443194866264953
Energy: 1.0516186505598153
Energy: 1.0561032966159116
Energy: 1.0630844948223646
Energy: 1.0329379811572372
Energy: 1.083847810569671
Energy: 0.9536544365211457
Energy: 0.9540919618237209
Energy: 1.0415475004943548
Energy: 0.9562845891914279
Energy: 1.0694427497022398
Energy: 1.1214693166268008
Energy: 1.0247461347504268
Energy: 1.1288759778157649
Energy: 1.0349266962835282
Energy: 1.0378244030107313
Energy: 0.9566872300744577
Energy: 1.0648242376700119
Energy: 1.1230959925133908
Energy: 1.0175346908979173
Energy: 1.0263633784453363
Energy: 1.0695030136200232
Energy: 1.0487204640250556
Energy: 1.0566273939179875
Energy: 1.0671402765712525
Energy: 1.033194782793166
Energy: 1.077487980633168
Energy: 1.0284380690651842
Energy: 1.0364208440583484
Energy: 1.0364135996323725
Energy: 1.0346712537509712
Energy: 1.0228899135397254
Energy: 1.0312450221224112
Energy: 1.017402006409432
Energy: 1.027169044842677
Energy: 1.0400884676590931
Energy: 1.107311727938656
Energy: 1.0525927216590059
Energy: 1.0275784425925583
Energy: 1.017066093442593
Energy: 1.022690961797632
Energy: 1.0839726673729901
Energy: 1.0304097344696272
Energy: 1.049900352375628
Energy: 0.9552074476052662
Energy: 1.0285435430355976
Energy: 1.1106255526037296
Energy: 1.0323429434182765
Energy: 1.1252699954912306
Energy: 1.0302418858659084
Energy: 1.0363779705698188
Energy: 1.041871262539842
Energy: 1.0339482266484323
Energy: 1.0391292353888824
Energy: 1.0778377363507083
Energy: 0.95339961878751
Energy: 0.9538434403314463
Energy: 1.048067603981679
Energy: 0.9590523880758912
Energy: 1.0634956639160267
Energy: 1.0307757175525827
Energy: 1.1483542110277323
Energy: 0.9536103242985453
Energy: 0.953682719711329
Energy: 1.0489847270604455
Energy: 0.9529318231985763
Energy: 1.1006452724434266
Energy: 1.03063384488864
Energy: 1.030689812238904
Energy: 1.1275626749078371
Energy: 1.110675617034556
Energy: 0.9537268387060319
Energy: 1.0366273210611427
Energy: 1.0660913081832348
Energy: 1.1113192115781088
Energy: 1.0832763458876415
Energy: 1.0283887937120297
Energy: 1.0364917121736605
Energy: 1.0495747726112756
Energy: 1.0377899679105682
Energy: 1.017770367855641
Energy: 1.0315929813321085
Energy: 1.0780276251240966
Energy: 1.028390376244467
Energy: 1.038442333405184
Energy: 1.0369975707462964
Energy: 1.0309273746871739
Energy: 1.0175265824418698
Energy: 1.1279426190919175
Energy: 1.0320664100854868
Energy: 1.0774382278302608
Energy: 1.03703273461657
Energy: 1.1303210703858027
Energy: 1.0398208525123356
Energy: 1.0282129499584922
Energy: 1.1171778686054676
Energy: 1.040230155837756
Energy: 1.1256341632501052
Energy: 1.0376599248390403
Energy: 1.036416622526106
Energy: 0.9534194636889515
Energy: 1.0293127248826606
Energy: 1.0307064266155097
Energy: 1.02592215948154
Energy: 1.0684268895598414
Energy: 0.9671969403551909
Energy: 1.0459101408564815
Energy: 1.0567017419648248
Energy: 1.065905329546091
Energy: 1.0329250465215158
Energy: 1.0837795728760722
Energy: 0.9537565009421601
Energy: 0.9542013125327717
Energy: 1.0391599285580282
Energy: 0.955865436660648
Energy: 1.0271827366769675
Energy: 1.121155702251128
Energy: 1.0243146029487882
Energy: 1.1292923599746267
Energy: 1.0323382285167
Energy: 1.0507139069558038
Energy: 0.9573007589765516
Energy: 1.064930647566106
Energy: 1.1229351314095752
Energy: 1.0179434061824095
Energy: 1.026149846129894
Energy: 1.0331957269048078
Energy: 1.0492852706451596
Energy: 1.0320734358226213
Energy: 1.0634757247159756
Energy: 1.033551690482466
Energy: 1.0775219287950364
Energy: 1.028462214764817
Energy: 1.036064904318455
Energy: 1.03713782779327
Energy: 1.0345341865215465
Energy: 1.0183635462465341
Energy: 1.0309239804959118
Energy: 1.0174923722877027
Energy: 1.0269128619599412
Energy: 1.030007194629696
Energy: 1.1096352917945291
Energy: 1.0517576823625956
Energy: 1.027529672844667
Energy: 1.0167518911056472
Energy: 1.0229206567208116
Energy: 1.0843682272418433
Energy: 1.0305055981783464
Energy: 1.0496701408360931
Energy: 0.9558062874221838
Energy: 1.0288095820900245
Energy: 1.1168509340193709
Energy: 1.0366764766554104
Energy: 1.1242199526543744
Energy: 1.0301605610719993
Energy: 1.0361767265218942
Energy: 1.0339419450829324
Energy: 1.0338719158878065
Energy: 1.0384407284770152
Energy: 1.0777804032186002
Energy: 0.9532438073057724
Energy: 0.9537252033795348
Energy: 1.0477950811857464
Energy: 0.973229654714761
Energy: 1.0635038698995227
Energy: 1.029866046042324
Energy: 1.0948910170604533
Energy: 0.9545870102586529
Energy: 0.9536357604556867
Energy: 1.0488017209324842

minimum gb energy = 0.9529318231985763 eV
minimum distance =  2.45243633725585 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.2523263283364532
Energy: 1.1747842304942124
Energy: 1.0735308240142092
Energy: 1.347760084554449
Energy: 1.1313900644305828
Energy: 1.080649111179664
Energy: 1.2265108861733425
Energy: 1.0529880553123152
Energy: 0.9641014987697576
Energy: 1.1610872809652135
Energy: 0.9309018124745005
Energy: 0.9625088343750372
Energy: 1.129427892091838
Energy: 1.1652614976343718
Energy: 1.2274767347547497
Energy: 0.9894294649408504
Energy: 1.06671931480758
Energy: 0.9896600476971774
Energy: 0.963474887986808
Energy: 1.122631208564221
Energy: 1.1553296006760152
Energy: 1.2560006630126195
Energy: 0.965695508291623
Energy: 1.0764338894283743
Energy: 0.9894834310831453
Energy: 0.9366288276420438
Energy: 1.0211552017282748
Energy: 1.1655566405192481
Energy: 1.010980214978658
Energy: 0.9623637816289814
Energy: 1.0349253814015325
Energy: 0.9906153837731443
Energy: 0.9642855746307889
Energy: 1.0266356075684278
Energy: 1.0558728207551744
Energy: 0.9691864736094674
Energy: 0.9736717489585991
Energy: 1.038056294184582
Energy: 1.0077609624406803
Energy: 1.01596741846123
Energy: 1.0281243252692573
Energy: 1.0410461436460867
Energy: 0.9942118777880631
Energy: 1.0091132195927128
Energy: 1.0214683812304581
Energy: 0.9630157979885094
Energy: 0.968700165340578
Energy: 0.967248691850754
Energy: 1.0372831410757675
Energy: 1.076875564735712
Energy: 0.9900531584941228
Energy: 1.0667419701440437
Energy: 1.0477804634578136
Energy: 0.9621265424688543
Energy: 0.9928634454452094
Energy: 1.0460069315382323
Energy: 1.0209933873332953
Energy: 0.9887904511359943
Energy: 1.0363338503961417
Energy: 0.9644663561468801
Energy: 0.9976867000750087
Energy: 1.1675417119958094
Energy: 1.0530293866183233
Energy: 1.1511206221796408
Energy: 1.1343667556396357
Energy: 1.0439060264259419
Energy: 1.0223639225118828
Energy: 0.9983900033608449
Energy: 1.081846116525148
Energy: 1.1299989166369073
Energy: 1.01031353349952
Energy: 1.0365323388967793
Energy: 1.045778580331732
Energy: 1.0510531699237602
Energy: 0.9684411243857471
Energy: 0.9672122696352041
Energy: 1.0392658930050875
Energy: 1.0207332525137802
Energy: 0.9655235368565831
Energy: 1.1869335661107623
Energy: 1.027933742573191
Energy: 1.2199831789472086
Energy: 1.2255047964947063
Energy: 1.1705797234028157
Energy: 1.2217240861416994
Energy: 1.0789504972362696
Energy: 1.1604519148564316
Energy: 1.1497249648550198
Energy: 0.9989136199908587
Energy: 1.0212518019287702
Energy: 1.1734520223272222
Energy: 0.9688076575499933
Energy: 0.9651028042529728
Energy: 1.0553161261209487
Energy: 1.0508206584303714
Energy: 0.9830489478014582
Energy: 1.1580995161482281
Energy: 1.1655903255341395
Energy: 1.0782273395556243
Energy: 0.9750075343214579
Energy: 1.1470276906007393
Energy: 1.0278269514917426
Energy: 1.273200592691143
Energy: 1.255131696086752
Energy: 1.1763797589002043
Energy: 1.2570089276586842
Energy: 0.9641818664368053
Energy: 1.078542100319704
Energy: 1.0364055147818152
Energy: 1.0264522395536377
Energy: 1.0858758642630464
Energy: 1.032628791103056
Energy: 1.014420166793702
Energy: 1.0343069811078769
Energy: 1.0434639138374704
Energy: 0.9894857817357755
Energy: 1.00546421378515
Energy: 1.0222370758975212
Energy: 1.0579547310598325
Energy: 0.966949405827091
Energy: 0.973307175783669
Energy: 1.0245617723191067
Energy: 1.1070174261575545
Energy: 1.0088043348654803
Energy: 1.02763345594261
Energy: 1.0381729413873646
Energy: 0.9671285115450741
Energy: 1.0098296680259577
Energy: 1.0458139293580224
Energy: 1.0631321478630378
Energy: 1.0157679349319546
Energy: 0.967799550119624
Energy: 1.0374926137417353
Energy: 1.0035964167301121
Energy: 0.9897361875280668
Energy: 1.042745495779084
Energy: 1.0587077870651538
Energy: 0.9622296712418451
Energy: 0.9940342262513513
Energy: 1.0612335639728208
Energy: 1.0210696315322545
Energy: 1.0041656692291423
Energy: 1.0678533529077423
Energy: 1.1952868148942521
Energy: 1.1994018854182613
Energy: 1.1363272522920704
Energy: 1.0518683292193032
Energy: 1.1516971983496238
Energy: 1.134407817844371
Energy: 1.0437557844834415
Energy: 1.050085520865412
Energy: 1.005489144216474
Energy: 1.0270037428507461
Energy: 1.0307541123509414
Energy: 1.1292451790608136
Energy: 0.9645682459728061
Energy: 1.0029713073064714
Energy: 1.2429032236875714
Energy: 0.9991814293753828
Energy: 1.0625225499998419
Energy: 1.3638004198435383
Energy: 1.076945527065797
Energy: 0.9996935142101007
Energy: 1.1167238172729035
Energy: 1.0382641592237871
Energy: 1.2173498854270015
Energy: 1.2309404903364043
Energy: 1.1725537665061843
Energy: 0.9714587629330489
Energy: 0.9652615198419822
Energy: 1.0006490444834841
Energy: 1.0502262453673368
Energy: 1.0232361120706275
Energy: 1.0743757321520813
Energy: 1.1642758899915755

minimum gb energy = 0.9309018124745005 eV
minimum distance =  2.39981542073374 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.0720141232852172
Energy: 1.3037754082834154
Energy: 1.276063221752311
Energy: 1.1707020651315214
Energy: 1.1739710716130598
Energy: 1.2200654163571552
Energy: 1.17540035778596
Energy: 1.3674161517887686
Energy: 1.260061553242293
Energy: 1.1912230700534774
Energy: 1.161024472705506
Energy: 1.1108495047111664
Energy: 1.0067494417864524
Energy: 1.2603231924278826
Energy: 1.2717739515584867
Energy: 1.1877000886481301
Energy: 1.2198107726690568
Energy: 1.1391057881187756
Energy: 1.1050083987676924
Energy: 1.2276077958165923
Energy: 1.2667024609786304
Energy: 1.184374852440907
Energy: 1.2175277110357874
Energy: 1.249620294211011
Energy: 1.2719888742710306
Energy: 1.2929960775405716
Energy: 1.2356761262225986
Energy: 1.2029536365328992
Energy: 1.1612180705693769
Energy: 1.2928011051696344
Energy: 1.175623462180398
Energy: 1.208091847232327
Energy: 1.1700374028561835
Energy: 1.1960116266603043
Energy: 1.1983123011532013
Energy: 1.1210609066029271
Energy: 1.1874638561985054
Energy: 1.1159512564397362
Energy: 1.1158144461133674
Energy: 1.1368818958497273
Energy: 1.1490800086025654
Energy: 1.1714074263441805
Energy: 1.0673683083685106
Energy: 1.1554971851692073
Energy: 1.125349591152793
Energy: 1.1310516202424477
Energy: 1.1212794170123739
Energy: 1.157614318283355
Energy: 1.166041949282861
Energy: 1.1067030120815327
Energy: 1.1127542391561014
Energy: 1.0556673488016233
Energy: 1.219547130304231
Energy: 1.1475332035561487
Energy: 1.0608772715053647
Energy: 1.0859455872432455
Energy: 1.035036213556527
Energy: 1.0794360734343746
Energy: 1.1123950338603092
Energy: 1.0539229452405081
Energy: 1.1267207906109822
Energy: 1.1925512652153571
Energy: 1.1635837928872115
Energy: 1.1704334820340854
Energy: 1.1087019427746023
Energy: 1.1163459915941982
Energy: 1.040230374703192
Energy: 1.0657887504594137
Energy: 1.0709809849122405
Energy: 1.1701078126987114
Energy: 1.1177432809674357
Energy: 1.0921222402892365
Energy: 1.0437873946370586
Energy: 1.022444757807578
Energy: 1.063933874098488
Energy: 1.1582550338105542
Energy: 1.069597695013133
Energy: 1.0424891663371154
Energy: 1.0771028632401374
Energy: 1.139037900067236
Energy: 1.1751636926202238
Energy: 1.0686564178588351
Energy: 1.1373695733288138
Energy: 1.2130140720428628
Energy: 1.128979020993626
Energy: 1.0613809016951932
Energy: 1.1184436125401573
Energy: 1.1662723674410918
Energy: 1.0908030202534011
Energy: 1.0887899524318472
Energy: 1.0620100276227873
Energy: 1.0990341261084604
Energy: 1.115980368569363
Energy: 1.102903771521066
Energy: 1.105487481107794
Energy: 1.0872106222555589
Energy: 1.1252603704051454
Energy: 1.1403719992640449
Energy: 1.0689061618302758
Energy: 1.1407510227557227
Energy: 1.0751295585376586
Energy: 1.132051018259704
Energy: 1.1085739876876208
Energy: 1.0920945715994517
Energy: 1.1721421119635744
Energy: 0.9920953805603687
Energy: 1.1925234103583864
Energy: 1.178713146909413
Energy: 1.1084817204825341
Energy: 1.047877335573684
Energy: 1.145841356315156
Energy: 1.2104584594652785
Energy: 1.1401408319869089
Energy: 1.2065636802343738
Energy: 1.1899075205383367
Energy: 1.2419710300785736
Energy: 1.2103392968083992
Energy: 1.2139863936632875
Energy: 1.147954293934095
Energy: 1.1182401552014305
Energy: 1.2371855552328217
Energy: 1.190463659216515
Energy: 1.109110749953173
Energy: 1.1506166618169078
Energy: 1.194877594592555
Energy: 1.2192016594792006
Energy: 1.2245122581832548
Energy: 1.2613223058767173
Energy: 1.193287024907283
Energy: 1.1238682526792407
Energy: 1.0834372430288384
Energy: 1.1745094427918505
Energy: 1.2562073943338274
Energy: 1.0749718274912032
Energy: 1.218289038521791
Energy: 1.2449438801691401
Energy: 1.2828790238693293
Energy: 1.2404526944423822
Energy: 1.2358102579962498
Energy: 1.203023249446275
Energy: 1.3122618794873484
Energy: 1.258627474087159
Energy: 1.0893184596683092
Energy: 1.0968644179688505
Energy: 1.0583821077077342
Energy: 1.1053973814883395
Energy: 1.2037851818509457
Energy: 1.331916662617757
Energy: 1.2683328833786742
Energy: 1.1962499241643614
Energy: 1.1382280716635542
Energy: 1.194368709957747
Energy: 1.1299414883770296
Energy: 1.274374089664553
Energy: 1.1862957651012662
Energy: 1.2114932877564037
Energy: 1.2427951613437664
Energy: 1.3301927931945392
Energy: 1.212692585157484
Energy: 1.2483721822544631
Energy: 1.2286068376104464
Energy: 1.1372766119991629
Energy: 1.2337642258348662
Energy: 1.1991166496342305
Energy: 1.141188516543072
Energy: 1.1130983724114312
Energy: 1.1123884236351804
Energy: 1.239996562289266
Energy: 1.1475120840145294
Energy: 1.2297013409605722
Energy: 1.2211952620721842
Energy: 1.14122185581997
Energy: 1.1727324296631425
Energy: 1.100009026103268
Energy: 1.2432533515884692
Energy: 1.1176228411572704
Energy: 1.2936670780917814
Energy: 1.2133008320414926
Energy: 1.2427157736548162
Energy: 1.2367569356257149
Energy: 1.23581715039698
Energy: 1.207766540145304
Energy: 1.1363116547104197
Energy: 1.3092298013829398
Energy: 1.1698307915571122
Energy: 1.144659427423205
Energy: 1.1665016875928051
Energy: 1.1954241903168603
Energy: 1.2776469683044969
Energy: 1.1194979339032642
Energy: 1.2008173646332025
Energy: 1.1383891318156536
Energy: 1.0588862640432544
Energy: 1.1068714307748644
Energy: 1.120529544993938
Energy: 1.2218167949081402
Energy: 1.0493626616211196
Energy: 1.1733306848725067
Energy: 1.1487769413687072
Energy: 1.1701707637083059
Energy: 1.118387193846999
Energy: 1.1807078157414035
Energy: 1.1913690754982331
Energy: 1.1418636023820972
Energy: 1.1068295997516209
Energy: 1.1097457038463454
Energy: 1.2266942755793124
Energy: 1.0481595650860436
Energy: 1.0740462909259416
Energy: 1.101653330808269
Energy: 1.0271820743657447
Energy: 1.0810151416597495
Energy: 1.119065686905059
Energy: 1.1337954257449174
Energy: 1.1470752063666956
Energy: 1.1511249556044452
Energy: 1.137766117009731
Energy: 1.0684418655834451
Energy: 1.101147677492727
Energy: 1.0621915127538608
Energy: 1.0390175580064236
Energy: 1.041531409504848
Energy: 1.1663355741692107
Energy: 1.0890547542643692
Energy: 1.1825857787371052
Energy: 1.1080547659644913
Energy: 1.1237159882701913
Energy: 1.022693582352542
Energy: 1.0445509906953148
Energy: 1.1901897611236563
Energy: 1.0735380943804937
Energy: 1.0520406108155596
Energy: 1.078414135390014
Energy: 1.1380283838488723
Energy: 1.142431223240641
Energy: 1.141665451256304
Energy: 1.2205881766961042
Energy: 1.0828851126786456
Energy: 1.126499880243363
Energy: 1.0744134403063015
Energy: 1.1186369368797304
Energy: 1.1801260160545206
Energy: 1.110335369614166
Energy: 1.0387020072341873
Energy: 1.0565528604010737
Energy: 1.0429301289033224
Energy: 1.1390027090596058
Energy: 1.2034945785205549
Energy: 1.117310203752357
Energy: 1.1170415452022546
Energy: 1.1087758264478063
Energy: 1.1415502579571224
Energy: 1.0695174520578898
Energy: 1.176727004373797
Energy: 1.0919759937648938
Energy: 1.038739463014608
Energy: 1.0900876595996882
Energy: 1.1330197029595843
Energy: 1.1800477216227474
Energy: 0.9923916600989076
Energy: 1.1922576689361293
Energy: 1.1862779931204441
Energy: 1.1354379804186971
Energy: 1.1586996842976907
Energy: 1.1254765674612954
Energy: 1.1890767884221096
Energy: 1.1118582481371324
Energy: 1.1694089227348665
Energy: 1.1898298739456612
Energy: 1.240930925271027
Energy: 1.2028215648484735
Energy: 1.1652307119039742
Energy: 1.1836913041036614
Energy: 1.1194530286230344
Energy: 1.242355046243835
Energy: 1.1928309058134432
Energy: 1.1741371735321116
Energy: 1.1386376385502175
Energy: 1.2393297830157306
Energy: 1.2229966259277998
Energy: 1.1274238033646546
Energy: 1.2942448489850438
Energy: 1.1797579258879651
Energy: 1.1665802710493043
Energy: 1.1694581636671388
Energy: 1.1737084427025464
Energy: 1.2735346048280556
Energy: 1.2006937526997121
Energy: 1.2462143876948535
Energy: 1.2784002002983486
Energy: 1.3319100779276987
Energy: 1.2946890236412965
Energy: 1.232681693726559
Energy: 1.209694580609913
Energy: 1.3152498587339276
Energy: 1.229942291277578
Energy: 1.0959092219508615
Energy: 1.1730546175660226
Energy: 1.1834922454672605
Energy: 1.0896586597514764
Energy: 1.212200187240456
Energy: 1.2701571197936872
Energy: 1.223728213355257
Energy: 1.1878893534724027
Energy: 1.1888703791561848
Energy: 1.191912373897452
Energy: 1.080727383501775
Energy: 1.2176733172243088
Energy: 0.9965478736372912
Energy: 1.2517569717129
Energy: 1.1778560528387156
Energy: 1.312630764896426
Energy: 1.1612541389528188
Energy: 1.2139825521038539
Energy: 1.1999238813543354

minimum gb energy = 0.9920953805603687 eV
minimum distance =  2.40051254319147 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.1081011984849045
Energy: 1.0749102913854574
Energy: 1.0816850103528035
Energy: 1.0752744469665665
Energy: 1.0749367775541832
Energy: 1.079061535535605
Energy: 1.0756887070721506
Energy: 1.1116807731714402
Energy: 1.2599121660365105
Energy: 1.066088497855029
Energy: 1.0368691278890128
Energy: 1.0358687049756952
Energy: 1.0357097867200045
Energy: 1.2605946571949807
Energy: 1.0797386281930252
Energy: 1.2854706719747409
Energy: 1.036994012948569
Energy: 1.036024952346538
Energy: 1.0353943916987534
Energy: 1.0368818269518698
Energy: 1.0748516384545328
Energy: 1.0788059398179894
Energy: 1.2854098207282227
Energy: 1.0372539790322355
Energy: 1.0827673017018506
Energy: 1.0351824667178324
Energy: 1.0676145169887512
Energy: 1.0747895830385765
Energy: 1.1116423136525635
Energy: 1.2577374109621184
Energy: 1.089039363702294
Energy: 1.3133389279736487
Energy: 1.03523401938604
Energy: 1.0900504600923129
Energy: 1.2569661706411188
Energy: 1.079181739120355
Energy: 1.3215554051162717
Energy: 1.035674006222468
Energy: 1.076039625060258
Energy: 1.075340682894111
Energy: 1.0827541671376324
Energy: 1.0766989829031004
Energy: 1.0759013644209645
Energy: 1.2607569017182774
Energy: 1.0708098405556326
Energy: 1.035960587124406
Energy: 1.0363574994175744
Energy: 1.0358490099399533
Energy: 1.2607319603740166
Energy: 1.075371610228195
Energy: 1.2927606142367138
Energy: 1.0376372467974162
Energy: 1.0352764914808712
Energy: 1.0641770298290558
Energy: 1.070145279569139
Energy: 1.261923181140821
Energy: 1.0786672703565443
Energy: 1.3229351000229124
Energy: 1.0698612693638008
Energy: 1.0781980345136264
Energy: 1.0776596495559374
Energy: 1.0355670979072882
Energy: 1.0769340605724296
Energy: 1.1168626211117103
Energy: 1.2574218138873607
Energy: 1.0902505129722682
Energy: 1.3465732836088975
Energy: 1.347008583950792
Energy: 1.090107244145899
Energy: 1.2586054745121165
Energy: 1.0788619707049971
Energy: 1.2857548986709706
Energy: 1.0681000615043572
Energy: 1.079150944322838
Energy: 1.0806979299642332
Energy: 1.0679291316324726
Energy: 1.0763818103923763
Energy: 1.0757599698585174
Energy: 1.287085009856692
Energy: 1.0702766249534925
Energy: 1.0356664233636912
Energy: 1.0364068935917676
Energy: 1.0368725421609037
Energy: 1.259129849652077
Energy: 1.0752367068229896
Energy: 1.2614858798399866
Energy: 1.0652184339803639
Energy: 1.0354756874827165
Energy: 1.0367672536900367
Energy: 1.0367025934294183
Energy: 1.2599040025694124
Energy: 1.080322643937449
Energy: 1.3208359924074335
Energy: 1.0833242990250316
Energy: 1.075300492112051
Energy: 1.0747323797848862
Energy: 1.0795071376043481
Energy: 1.0756782131631875
Energy: 1.1111569224558704
Energy: 1.2577489981294676
Energy: 1.092368479874464
Energy: 1.0352667402088414
Energy: 1.0350480196686755
Energy: 1.0362245209364251
Energy: 1.2594593833407421
Energy: 1.0783061657039579
Energy: 1.2862544453020026
Energy: 1.0696863051362349
Energy: 1.0352167332315614
Energy: 1.0632323308308003
Energy: 1.0670176070644453
Energy: 1.0748700034828667
Energy: 1.0789150020744127
Energy: 1.2861682657889573
Energy: 1.069587173474141
Energy: 1.0355995169458179
Energy: 1.0353296045523916
Energy: 1.0678688026789989
Energy: 1.075084825040104
Energy: 1.1120680463804178
Energy: 1.257479088010868
Energy: 1.0650377062275636
Energy: 1.0358613354331259
Energy: 1.0360025249618279
Energy: 1.0361223354134446
Energy: 1.2593066531252048
Energy: 1.081177059480244
Energy: 1.3217321709104983
Energy: 1.082763237389087
Energy: 1.0742997518469184
Energy: 1.0748437122178625
Energy: 1.0799552168315933
Energy: 1.0759462222171812
Energy: 1.0766999427036574
Energy: 1.2602697709363055
Energy: 1.0358176393789127
Energy: 1.0363281779176836
Energy: 1.0356043173033116
Energy: 1.036616761388925
Energy: 1.2585589697380133

minimum gb energy = 1.0350480196686755 eV
minimum distance =  2.53045025726329 Angstroms
sigma value = 23