Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9756741225719447
cohesive_energy=5.506478783925711
mass=195.084
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=[1.6597748839922998e-19, 2.61270148059648e-19, 3.40779765698532e-19, 4.0940259310938596e-19, 4.69652445430956e-19, 5.2307542311505195e-19, 5.70728962740114e-19, 6.13375700383926e-19, 6.515988283412639e-19, 6.858565691294519e-19, 7.165174233743099e-19, 7.43884202459664e-19, 7.682132546469539e-19, 7.897256803116719e-19, 8.08612138473264e-19, 8.250360511483979e-19, 8.39143216410768e-19, 8.51058604037826e-19, 8.608959685705859e-19, 8.687562471369899e-19, 8.74730763805176e-19, 8.78907638290014e-19, 8.813621728933019e-19, 8.821664655635699e-19, 8.81294881474674e-19, 8.7846543753903e-19, 8.7330642877755e-19, 8.6536764355608e-19, 8.541155570554979e-19, 8.38898083385766e-19, 8.1893336034949185e-19, 7.932616841429099e-19, 7.607038527633959e-19, 7.1980989635718e-19, 6.6877255968111e-19, 6.053311715046119e-19, 5.2662584653599595e-19, 4.2903085905251995e-19, 3.07864648929636e-19, 1.570562484657912e-19, -2.74688377369398e-20, -2.50775891106948e-19, -5.2892657218242e-19, -8.803528016138818e-19, -1.3228435465686359e-18, -1.88842151143044e-18, -2.6299729447109998e-18, -3.60967191286932e-18, -4.9431955688802e-18, -6.876141568969499e-18, -9.752513258223358e-18, -1.426919338536642e-17, -2.1993238872581395e-17, -3.67263745458552e-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: 0.021506077239974577
Energy: 0.3814352533520684
Energy: 0.38166189843306186
Energy: 0.9955124269255601
Energy: 0.9951873383662988
Energy: 0.34975512807438897
Energy: 0.024286008292339137
Energy: 0.08667821009420008
Energy: 0.7850456411021735
Energy: 0.08749898656478629
Energy: 0.3854124732271205
Energy: 0.7909296496081476
Energy: 0.022582878958059716
Energy: 0.08835600197968495
Energy: 0.02191046460417732
Energy: 0.7653830257768949
Energy: 0.6120364376070468
Energy: 0.3815597724247074
Energy: 0.7889522840448178
Energy: 0.0865835478571247
Energy: 0.08809437820239756
Energy: 0.024307481042286933
Energy: 0.6480942378085385
Energy: 0.3831953837778378
Energy: 0.9947164793566935
Energy: 0.99551639801613
Energy: 0.08705931273687653
Energy: 0.022495705249230433
Energy: 0.08707020172545141
Energy: 0.9981524390691047
Energy: 0.29400614628937777
Energy: 0.3819008399006364
Energy: 0.6452126291866326
Energy: 0.022737531264603802
Energy: 0.08818934637227337
Energy: 0.02198680191504426
Energy: 0.7679825764109612
Energy: 0.5959738711447353
Energy: 0.38141988720104203
Energy: 0.7910837112534129
Energy: 0.08651568242022219
Energy: 0.08797459784870713

minimum gb energy = 0.021506077239974577 eV
minimum distance =  2.78434787890414 Angstroms
sigma value = 5


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

Energy: 1.1808857844740484
Energy: 1.2772703160658327
Energy: 1.13309732609986
Energy: 1.1370295076334298
Energy: 1.3911861118903526
Energy: 1.1466781034600337
Energy: 1.079907873936861
Energy: 1.0822722038549897
Energy: 1.144773495875282
Energy: 1.0967747727100248
Energy: 1.0916659667014381
Energy: 1.1653517849278643
Energy: 1.1339917405674587
Energy: 1.1510987841793756
Energy: 1.1196895351821086
Energy: 1.1400279876388861
Energy: 1.1633535206185088
Energy: 1.093492058085108
Energy: 1.1248205777124045
Energy: 1.1676718649159534
Energy: 1.1290120970474986
Energy: 1.1282066317502113
Energy: 1.1900275240743885
Energy: 1.1072649580655174
Energy: 1.1888794154654427
Energy: 1.1580472935353512
Energy: 1.0940275547703433
Energy: 1.1348578983264694
Energy: 1.103959480881352
Energy: 1.1749167438972092
Energy: 1.0920665764826414
Energy: 1.1010527142490156
Energy: 1.1392772728788665
Energy: 1.1289581516926641
Energy: 1.103153481695297
Energy: 1.1197411983838281
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Energy: 1.0884645025647255
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Energy: 1.12628948752133
Energy: 1.0939848802696646
Energy: 1.0931616516845801
Energy: 1.1050964827197793
Energy: 1.1643943318738492
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Energy: 1.127081521399768
Energy: 1.1304336825093375
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Energy: 1.1178173989180509
Energy: 1.1212586848412436
Energy: 1.0999574282381706
Energy: 1.1461582650178341
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Energy: 1.1555364899597247
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Energy: 1.105337144660156
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Energy: 1.0884336579577536
Energy: 1.0895049884438293
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Energy: 1.154416374798002
Energy: 1.1261575038579796
Energy: 1.1487241313852288
Energy: 1.1915076045331738
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Energy: 1.147028207058597
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Energy: 1.1361904598929713
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Energy: 1.118088768131208
Energy: 1.1417830561708096
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Energy: 1.1152269862860413
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Energy: 1.1190527541475719
Energy: 1.1707820035992886
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Energy: 1.1165641527846835
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Energy: 1.123664636255975
Energy: 1.1598598736967463
Energy: 1.1534212832223674
Energy: 1.1659845482992888
Energy: 1.1309874444146384
Energy: 1.1669802763315866
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Energy: 1.1029323594024607
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Energy: 1.0979407736106108
Energy: 1.1352681916252692
Energy: 1.1525540539962267
Energy: 1.134789145605411
Energy: 1.0810036806680214
Energy: 1.1722796396538222
Energy: 1.0876209030157216
Energy: 1.1299225961322952
Energy: 1.1438921061654599
Energy: 1.1000159372140277
Energy: 1.13813834387982
Energy: 1.1342764860702776
Energy: 1.112306949310242
Energy: 1.100390334028002
Energy: 1.1510515741024916
Energy: 1.166395256132001
Energy: 1.1358495345102602
Energy: 1.1390608801701108
Energy: 1.1101889274181567
Energy: 1.2263074883963123
Energy: 1.0838013980945207
Energy: 1.169459486457762
Energy: 1.1776763694571295
Energy: 1.1133035553225739
Energy: 1.0811765578187702
Energy: 1.1553058339064026
Energy: 1.121684059139438
Energy: 1.1138505402343597
Energy: 1.1687419477075383
Energy: 1.1524920333188262
Energy: 1.0982806091335802
Energy: 1.0951585427058173
Energy: 1.1059777209863735
Energy: 1.150084512031059
Energy: 1.0871013814828472
Energy: 1.1433046437511585
Energy: 1.2013036032402877
Energy: 1.107444003440205
Energy: 1.089966871168552
Energy: 1.0898325805173759
Energy: 1.1605108046826855
Energy: 1.162746947355123
Energy: 1.1218690165330112
Energy: 1.124898085845381
Energy: 1.0803602080817492
Energy: 1.1531791224256251

minimum gb energy = 1.0662382597289222 eV
minimum distance =  2.51175252710176 Angstroms
sigma value = 401


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

Energy: 1.152346859933845
Energy: 1.2877598857937027
Energy: 1.1864166484611092
Energy: 1.1061310575727328
Energy: 1.432435035293402
Energy: 1.127540415338366
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Energy: 1.1035026775296968
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Energy: 1.113152390929446
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Energy: 1.169547945814843
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Energy: 1.0819799555003293
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Energy: 1.1643786580817057
Energy: 1.1593934675326454
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Energy: 1.082797366257717
Energy: 1.0690165337574253
Energy: 1.1170530545923623
Energy: 1.18987257673323
Energy: 1.117277175740284
Energy: 1.1112186797642385
Energy: 1.0959156653266893
Energy: 1.066104082982886
Energy: 1.1136192783856722
Energy: 1.1493624232468764
Energy: 1.0974153128905768
Energy: 1.1698744969445318
Energy: 1.2020187613632811
Energy: 1.1158845495914975
Energy: 1.109026193613776
Energy: 1.2081815419013717
Energy: 1.197274592963677
Energy: 1.12157910302099
Energy: 1.1245050392904903
Energy: 1.1535091385201452
Energy: 1.1109827293914496
Energy: 1.1383309009000888
Energy: 1.1846644479697164
Energy: 1.155588006596486
Energy: 1.1335205490514169
Energy: 1.1593918114655821
Energy: 1.1592246828888457
Energy: 1.0851109819614733
Energy: 1.2089849091926022
Energy: 1.0998682790168208
Energy: 1.1116473181812319
Energy: 1.0917759704130128
Energy: 1.1464085475246486
Energy: 1.1901509864576731
Energy: 1.1028039922604564
Energy: 1.1112643112517306
Energy: 1.1063624188475651
Energy: 1.1078858067152244
Energy: 1.090425843072099
Energy: 1.144783091402035
Energy: 1.153886311398063
Energy: 1.1029621287588036
Energy: 1.2228468734802762
Energy: 1.1100041696497855
Energy: 1.1001649550501393
Energy: 1.1081896933928561
Energy: 1.1105425845506214
Energy: 1.1578418070284129
Energy: 1.0956915187398257
Energy: 1.1291289769878636
Energy: 1.1684272827314683
Energy: 1.1384079771209001
Energy: 1.1035266764017215
Energy: 1.1360052790649706
Energy: 1.1894720954167228
Energy: 1.1372568572105375
Energy: 1.150158357916361
Energy: 1.121805467736116
Energy: 1.1543200795805444
Energy: 1.1165335289123752
Energy: 1.157128293077587
Energy: 1.1338299775979184
Energy: 1.1177136146209814
Energy: 1.1104020142815005
Energy: 1.1160950896630235
Energy: 1.174751103901181
Energy: 1.235033946149166
Energy: 1.1457382404098757
Energy: 1.1699267221907297
Energy: 1.1170110010346297
Energy: 1.066624046355878
Energy: 1.389800066070804
Energy: 1.119486240076792
Energy: 1.109592958146833
Energy: 1.1640874197367577
Energy: 1.1163118740187072
Energy: 1.116528248732642
Energy: 1.06607630327579
Energy: 1.1008466309498979
Energy: 1.199729246957945
Energy: 1.1026787842838492
Energy: 1.1456487181042685
Energy: 1.187586809747361
Energy: 1.1182550940143565
Energy: 1.1088845511170693
Energy: 1.2021436262903042
Energy: 1.1660893557911243
Energy: 1.1225920057730316
Energy: 1.1391193553819063
Energy: 1.2306146716730741
Energy: 1.1389023348735767
Energy: 1.1400984944380155
Energy: 1.1724914825572175
Energy: 1.1514464275187835
Energy: 1.1125880524710285
Energy: 1.1403086465772803
Energy: 1.1557028057794594
Energy: 1.0828113860795903
Energy: 1.2311371027554618
Energy: 1.1073797639651193
Energy: 1.1311127509364531
Energy: 1.0941669925006496
Energy: 1.103549915387445
Energy: 1.13144997832924
Energy: 1.1209759534018053
Energy: 1.1071151298730106
Energy: 1.1005617691627734
Energy: 1.1560114821186658

minimum gb energy = 1.06607630327579 eV
minimum distance =  2.49885974537943 Angstroms
sigma value = 311


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

Energy: 1.0836112759127159
Energy: 1.1050106111751696
Energy: 1.146557930120347
Energy: 1.1004663825512175
Energy: 1.1040710484745422
Energy: 1.1212956446678946
Energy: 1.1671370970152621
Energy: 1.1114570511539645
Energy: 1.0710060483881942
Energy: 1.124380996322381
Energy: 1.1150536862728246
Energy: 1.1052465918861618
Energy: 1.134512655593934
Energy: 1.129555007031999
Energy: 1.116277356067163
Energy: 1.0847638673293059
Energy: 1.119399004512503
Energy: 1.0999502963055963
Energy: 1.1273153366930266
Energy: 1.1338993151719055
Energy: 1.1516436361880238
Energy: 1.1421347223070137
Energy: 1.1192208237297865
Energy: 1.1122063776028577
Energy: 1.1151761167155438
Energy: 1.118963232447223
Energy: 1.1681847837176795
Energy: 1.1166738990660696
Energy: 1.1397215235513256
Energy: 1.1616951025885234
Energy: 1.1006252689025198
Energy: 1.1178605708327358
Energy: 1.133202547480347
Energy: 1.1011269811142606
Energy: 1.168806075742256
Energy: 1.0942046937927428
Energy: 1.1423486668238645
Energy: 1.1303352871481809
Energy: 1.1324101773630189
Energy: 1.1409592091137073
Energy: 1.1292909223684726
Energy: 1.0990766258188887
Energy: 1.1467638808200629
Energy: 1.1229596663918187
Energy: 1.1348507347049925
Energy: 1.0897639773821846
Energy: 1.0873478913142358
Energy: 1.0921740986772563
Energy: 1.1497767231179503
Energy: 1.1097429644539383
Energy: 1.1159555758350026
Energy: 1.1472608988720023
Energy: 1.1903669492293452
Energy: 1.1227854859160993
Energy: 1.1139092525824124
Energy: 1.103020748421492
Energy: 1.1387668704692604
Energy: 1.1214459124631757
Energy: 1.1167828881646928
Energy: 1.1165155953500792
Energy: 1.122564057455918
Energy: 1.117591775716646
Energy: 1.1068316251684482
Energy: 1.1175957630565836
Energy: 1.208702711906501
Energy: 1.1110160933101152
Energy: 1.1659461511766838
Energy: 1.1146171135395662
Energy: 1.094720569510729
Energy: 1.0983423482246168
Energy: 1.1056516088041848
Energy: 1.1456446442324297
Energy: 1.1530583256649838
Energy: 1.1434564143252886
Energy: 1.1220254855257616
Energy: 1.1563078443372488
Energy: 1.1244105992040425
Energy: 1.1323201602290414
Energy: 1.118415520514165
Energy: 1.1259801387373911
Energy: 1.144002420686206
Energy: 1.1071730177896488
Energy: 1.1113242234909493
Energy: 1.0907838790819353
Energy: 1.1200013040193135
Energy: 1.1146192507076134
Energy: 1.0983597392918587
Energy: 1.1001894560535503
Energy: 1.1371404880665483
Energy: 1.136658582636652
Energy: 1.1219321342236266
Energy: 1.1270622269130528
Energy: 1.1270915837105564
Energy: 1.1135898779042641
Energy: 1.1626138259076888
Energy: 1.1385399716095792
Energy: 1.1648764869840056
Energy: 1.1895719624869998
Energy: 1.1065210388018079
Energy: 1.0818314875047221
Energy: 1.1311512016690435
Energy: 1.143719327807231
Energy: 1.0945037898204872
Energy: 1.0941548469988003
Energy: 1.1053240648592366
Energy: 1.1197983356375876
Energy: 1.1035058908357251
Energy: 1.1222038178505735
Energy: 1.0980508144853287
Energy: 1.1091756114877094
Energy: 1.0837483196440392
Energy: 1.085556505480698
Energy: 1.1092037487328241
Energy: 1.0884308315398175
Energy: 1.1235366239850133
Energy: 1.1689168533716103
Energy: 1.190256360706747
Energy: 1.1498705334319046
Energy: 1.093756407536783
Energy: 1.0903978212505134
Energy: 1.1235197356909086
Energy: 1.123531206316148
Energy: 1.1216531579569997
Energy: 1.1230233745988525
Energy: 1.0901334236475202
Energy: 1.0868106243312452
Energy: 1.1118433553374023
Energy: 1.1001178558883207
Energy: 1.103728087790981
Energy: 1.0860775399318043
Energy: 1.108933194915261
Energy: 1.1673662409159768
Energy: 1.0874556010108174
Energy: 1.1657022842276494
Energy: 1.1233270485072335
Energy: 1.1488461318097567
Energy: 1.1694132322173085
Energy: 1.2195413982746635
Energy: 1.1869353860829903
Energy: 1.2033998620375073
Energy: 1.1047697735462285
Energy: 1.0840256069507346
Energy: 1.1179870819093791
Energy: 1.1217972925535356
Energy: 1.1133509583559653
Energy: 1.129652857883778
Energy: 1.1028089021116638
Energy: 1.1388678808998178
Energy: 1.1252004775038884
Energy: 1.1013667461422547
Energy: 1.105367836835191
Energy: 1.0950706411598943
Energy: 1.0772052023541847
Energy: 1.1133614445898807
Energy: 1.1093487196937715
Energy: 1.1271645256876068
Energy: 1.1389123120779316
Energy: 1.1633262077039828
Energy: 1.1520600187945544
Energy: 1.104766274147275
Energy: 1.132502680053094
Energy: 1.1368040891671354
Energy: 1.096929423141591
Energy: 1.1260711951621973
Energy: 1.1075589328489275
Energy: 1.1092530926851358
Energy: 1.092073361237179
Energy: 1.1071921794509474
Energy: 1.177177973247511
Energy: 1.1235083231823952
Energy: 1.1076187936588866
Energy: 1.0953610670890634
Energy: 1.1116128177295679
Energy: 1.1483564645659627
Energy: 1.1554815015373794
Energy: 1.1685426161295596
Energy: 1.0882182275359664
Energy: 1.1780511906755167
Energy: 1.1863877315980524
Energy: 1.1709332668024146
Energy: 1.1932682022601004
Energy: 1.1986150322937084
Energy: 1.1265095802072551
Energy: 1.1220987907013193
Energy: 1.098708073627072
Energy: 1.106475641658234
Energy: 1.1415322424060554
Energy: 1.1134971388475667
Energy: 1.1569237136782655
Energy: 1.1404357610491287
Energy: 1.1486520870607104
Energy: 1.1053673613878368
Energy: 1.1466196064367264
Energy: 1.1449090471946188
Energy: 1.0720607503709423
Energy: 1.1147802539391396
Energy: 1.1561351652073764
Energy: 1.1279263191089273
Energy: 1.1378309247876692
Energy: 1.1806862980140391
Energy: 1.141415528914819
Energy: 1.1469417880761916
Energy: 1.1571525538781342
Energy: 1.1227921410881907
Energy: 1.098940163967155
Energy: 1.1094260021383238
Energy: 1.1458588069558178
Energy: 1.104838634641566
Energy: 1.117476085999328
Energy: 1.1250631710196073
Energy: 1.1310256406836547
Energy: 1.101723596115985
Energy: 1.108899589850872
Energy: 1.1549835479921395
Energy: 1.1280199589108892
Energy: 1.1109463861465418
Energy: 1.1509928612533797
Energy: 1.1299429513373713
Energy: 1.0873076157325168
Energy: 1.1118684903261038
Energy: 1.1751284356684804
Energy: 1.223100268012602
Energy: 1.1850001572340614
Energy: 1.1129362465311405
Energy: 1.122988971883287
Energy: 1.0898867997789157
Energy: 1.1114591338925919
Energy: 1.1053426448920793
Energy: 1.1547721650288583
Energy: 1.1021123770857795
Energy: 1.1740244949952043
Energy: 1.1138385306484087
Energy: 1.1121479781097539
Energy: 1.1096588381131465
Energy: 1.161164546120877
Energy: 1.1470815213746615
Energy: 1.1299378102601094
Energy: 1.1133430420687203
Energy: 1.1390568482216228
Energy: 1.1119253680029875
Energy: 1.1518385812325893
Energy: 1.1838182398515618
Energy: 1.1513931750704298
Energy: 1.1606480625420525
Energy: 1.1618351189108087
Energy: 1.0774444778515837
Energy: 1.081472953757577
Energy: 1.1170207028068846
Energy: 1.1745749555625504
Energy: 1.1377338877043304
Energy: 1.0958145746122543
Energy: 1.1061341187437843

minimum gb energy = 1.0710060483881942 eV
minimum distance =  2.49932551450808 Angstroms
sigma value = 39


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

Energy: 1.178512931371165
Energy: 1.1498889921457276
Energy: 1.1452351116734452
Energy: 1.3576740893191526
Energy: 1.1896709254779416
Energy: 1.1613158762673865
Energy: 1.0900824048847466
Energy: 1.1191151539056308
Energy: 1.0547408539481364
Energy: 1.0580059402576418
Energy: 1.1508893114064203
Energy: 1.1478344029271565
Energy: 1.177081540954961
Energy: 1.1700492497867752
Energy: 1.1592209377037495
Energy: 1.0758871467539206
Energy: 1.0570559111388447
Energy: 1.1481133038950775
Energy: 1.1493456968246836
Energy: 1.1739284980609492
Energy: 1.1696039233182165
Energy: 1.1351064192579146
Energy: 1.054900109767249
Energy: 1.0646551815419625
Energy: 1.1851316734940254
Energy: 1.1636774858020607
Energy: 1.2042579255500707
Energy: 1.1950219846040975
Energy: 1.0321173679715443
Energy: 1.0816787713331084
Energy: 1.1484551025870424
Energy: 1.1803059755368843
Energy: 1.1759773306852948
Energy: 1.1443013406739728
Energy: 1.0779399509002627
Energy: 1.068229619465639
Energy: 1.0815893573746571
Energy: 1.0651737941420663
Energy: 1.1655728534570204
Energy: 1.1936313251602373
Energy: 1.1739381852925859
Energy: 1.0937725611716032
Energy: 1.1627224738193749
Energy: 1.110984124148667
Energy: 1.0582069767477882
Energy: 1.1696289953428292
Energy: 1.100030345772355
Energy: 1.105805849034938
Energy: 1.1776713572357296
Energy: 1.0480304115142387
Energy: 1.087852162327278
Energy: 1.1525298914574487
Energy: 1.165742952412458
Energy: 1.2114363181996262
Energy: 1.1782319572565043
Energy: 1.0851205617774797
Energy: 1.0479874425404643
Energy: 1.0876646515947332
Energy: 1.2227652883090974
Energy: 1.1550501407900866
Energy: 1.1449038905510114
Energy: 1.1949184710411582
Energy: 1.0806588465371927
Energy: 1.1629418904301085
Energy: 1.0889140003519027
Energy: 1.0587224336659822
Energy: 1.1535339075612123
Energy: 1.1527799904607743
Energy: 1.1956501437779634
Energy: 1.1800528661033114
Energy: 1.1318822095945549
Energy: 1.0939661760289052
Energy: 1.085447817839034
Energy: 1.1564083413295962
Energy: 1.153199501260128
Energy: 1.1776662279837804
Energy: 1.1226535850350394
Energy: 1.0314646989547114
Energy: 1.1211413644144277
Energy: 1.0763421299634808
Energy: 1.1520854756976298
Energy: 1.1665524318872789
Energy: 1.1449431642732202
Energy: 1.031816241011986
Energy: 1.0660633658095087
Energy: 1.115948405911335
Energy: 1.1671437064965764
Energy: 1.2026476085908775
Energy: 1.2110372093277886
Energy: 1.2085186282458704
Energy: 1.0232962774425851
Energy: 1.1581144627994193
Energy: 1.0931127941096082
Energy: 1.0722600679348768
Energy: 1.17086914966496
Energy: 1.1112002983509373
Energy: 1.017048688611319
Energy: 1.0941878812346146
Energy: 1.0238828220463967
Energy: 1.092463533981362
Energy: 1.0630322938533638
Energy: 1.1676891324961796
Energy: 1.1123156754141732
Energy: 1.0171925408787064
Energy: 1.0620222776076558
Energy: 1.0347277580569603
Energy: 1.0219168126017215
Energy: 1.1681667719559445
Energy: 1.1910126395690166
Energy: 1.2412440447389108
Energy: 1.1754067467030187
Energy: 1.0218373629055797
Energy: 1.024693865538188
Energy: 1.1231459525413718
Energy: 1.0561265970565128
Energy: 1.1512281165543945
Energy: 1.1635788797770683
Energy: 1.0917786633533577
Energy: 1.1291871823293027
Energy: 1.021586122469127
Energy: 1.1173789034047776
Energy: 1.0570626368366143
Energy: 1.1481500979372148
Energy: 1.1626617826562582
Energy: 1.0978013336870525
Energy: 1.1023505146773385
Energy: 1.1344811254158769
Energy: 1.0915811533918374
Energy: 1.0920646997141934
Energy: 1.1871372695092126
Energy: 1.1639356819683544
Energy: 1.2056186709087302
Energy: 1.0655704905945622
Energy: 1.0230459864583534
Energy: 1.1221633728633784
Energy: 1.149115518108958
Energy: 1.174572245852538
Energy: 1.1757530147937625
Energy: 1.144902713136697
Energy: 1.0229222629945025
Energy: 1.067084538735078
Energy: 1.0797592471080204
Energy: 1.0648921104048752
Energy: 1.166456640662308
Energy: 1.1976085420315494
Energy: 1.1149080852898283
Energy: 1.0226785240488785
Energy: 1.1622924010357594
Energy: 1.1080385824291235
Energy: 1.058233707625556
Energy: 1.1505139066565422
Energy: 1.0931435918248116
Energy: 1.087945887080434
Energy: 1.1858732425549956
Energy: 1.0479863700661558
Energy: 1.0873376688123224
Energy: 1.1460832221400574
Energy: 1.1699592529187743
Energy: 1.2110229378707673
Energy: 1.1954383994868234
Energy: 1.0798798816160635
Energy: 1.0474826433714588
Energy: 1.087779498979685
Energy: 1.1501524813800625
Energy: 1.157247785605324
Energy: 1.1506940081201293
Energy: 1.176206958955031
Energy: 1.0767825379854672
Energy: 1.1628916436567351
Energy: 1.062938352734397
Energy: 1.0584560281173507
Energy: 1.1526277511470027
Energy: 1.152074771161478
Energy: 1.1521545678376635
Energy: 1.1569802784682008
Energy: 1.1317130766641372
Energy: 1.0702193341601007
Energy: 1.0649658116555423
Energy: 1.1487893243630154
Energy: 1.1456002236884266
Energy: 1.1439513941408177
Energy: 1.1718306863702705
Energy: 1.0341262871054604
Energy: 1.0890517855583104
Energy: 1.0705767486301816
Energy: 1.1503998109517706
Energy: 1.1698903167493682
Energy: 1.1448249535287263
Energy: 1.0863526840070832
Energy: 1.065722884602585
Energy: 1.0816442051248853
Energy: 1.1501043514699414
Energy: 1.2001015704131013
Energy: 1.2115760306105736
Energy: 1.2080438621253193
Energy: 1.1284346921325388
Energy: 1.1657403537812963
Energy: 1.0718261624575072
Energy: 1.0626120198605886
Energy: 1.1691462560459882
Energy: 1.0841159127988163
Energy: 1.0860762333065652
Energy: 1.2012567994019692
Energy: 1.0512512344153102
Energy: 1.0788452277233174
Energy: 1.0629048499884615
Energy: 1.1349211411616098
Energy: 1.079690792651934
Energy: 1.096773418599099
Energy: 1.1263641464329912

minimum gb energy = 1.017048688611319 eV
minimum distance =  2.54134428167841 Angstroms
sigma value = 21


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

Energy: 1.291317481744289
Energy: 1.1688407129251723
Energy: 1.1191353764466219
Energy: 1.4165959619050412
Energy: 1.1504209825176375
Energy: 1.150048962504438
Energy: 1.2675225778185537
Energy: 1.0750097286754399
Energy: 1.0431434678808382
Energy: 1.2473353257089725
Energy: 1.103956937432142
Energy: 1.0192549523179948
Energy: 1.1979669900709473
Energy: 1.081306577576415
Energy: 1.0754607698390413
Energy: 1.1419248011118313
Energy: 1.1338959420131585
Energy: 1.0978762787739464
Energy: 1.1943183030941924
Energy: 1.17626029636423
Energy: 1.1040484411667588
Energy: 1.3217969256833466
Energy: 1.0371301496008436
Energy: 1.116620383168364
Energy: 1.0964526442783744
Energy: 1.0351262826680894
Energy: 1.0739764881395417
Energy: 1.2156855034513936
Energy: 1.0586953156636831
Energy: 1.0123721745597698
Energy: 1.0991233836437506
Energy: 1.0408575150908563
Energy: 1.0466222367735796
Energy: 1.094240986348951
Energy: 1.0946894362704465
Energy: 1.0342091746592337
Energy: 1.0194707831536929
Energy: 1.1019793059024732
Energy: 1.0380418882110554
Energy: 1.0560702951802914
Energy: 1.0837466799999271
Energy: 1.0869748374570358
Energy: 1.1769856990155212
Energy: 1.039441728425263
Energy: 1.0750555395152155
Energy: 1.072993790974068
Energy: 1.0295634520585768
Energy: 1.0314696445357194
Energy: 1.0906846544854243
Energy: 1.1524277100858897
Energy: 1.0471483810848121
Energy: 1.1317253230068223
Energy: 1.0949726573521144
Energy: 1.0787885993927335
Energy: 1.0583758897283884
Energy: 1.0945555909408387
Energy: 1.0748902128434559
Energy: 1.1038755073806283
Energy: 1.0943518757404647
Energy: 1.1128510023404146
Energy: 1.1158147359265485
Energy: 1.213370438676234
Energy: 1.0767769165651098
Energy: 1.177704807750715
Energy: 1.1336854888357
Energy: 1.0935332928213215
Energy: 1.102907409322897
Energy: 1.0752368448739078
Energy: 1.150280414368518
Energy: 1.0579134935811323
Energy: 1.0672695771007437
Energy: 1.0445462780111834
Energy: 1.0830373147039287
Energy: 1.117876664751087
Energy: 1.032109904467453
Energy: 1.1561655445112893
Energy: 1.138517815707846
Energy: 1.1507371042408425
Energy: 1.1783006631969053
Energy: 1.226930883738556
Energy: 1.2412368887015175
Energy: 1.2663483379336025
Energy: 1.2702226574712747
Energy: 1.1006587228346973
Energy: 1.2688937965434761
Energy: 1.1229382855930174
Energy: 1.2207007223295256
Energy: 1.2264610215178715
Energy: 1.1156095150963212
Energy: 1.0724646805596525
Energy: 1.197711137416819
Energy: 1.2653959615545307
Energy: 1.1241254455767908
Energy: 1.1261671144491947
Energy: 1.0936336936611892
Energy: 1.1054216430099322
Energy: 1.1063257713676486
Energy: 1.0679417404341611
Energy: 1.1510707289226456
Energy: 1.0996022327296497
Energy: 1.2207870991825231
Energy: 1.3337777076734574
Energy: 1.320232517666714
Energy: 1.3143431006078017
Energy: 1.0848120704916402
Energy: 1.312824975763895
Energy: 1.0530967819917088
Energy: 1.115504480657039
Energy: 1.0937934001875598
Energy: 1.046409557603506
Energy: 1.0819664895412826
Energy: 1.1109149151609885
Energy: 1.0596810812311612
Energy: 1.0584939388236156
Energy: 1.0890673408162488
Energy: 1.04352514482783
Energy: 0.9736612479095572
Energy: 1.0688896504850953
Energy: 1.094808406428375
Energy: 1.0307335593960352
Energy: 1.0139489636196903
Energy: 1.2070190266394032
Energy: 1.0637935167692134
Energy: 1.1238689628726026
Energy: 1.0752310782260353
Energy: 1.0570054609932007
Energy: 1.03134200475253
Energy: 1.0569428271307886
Energy: 1.179557119081681
Energy: 1.1037640028746345
Energy: 1.0308536698437072
Energy: 1.0335661751655196
Energy: 1.0753304749765116
Energy: 1.0549740698148704
Energy: 1.0475866620403513
Energy: 1.0817615358820991
Energy: 1.0944826256732356
Energy: 1.0130892882814284
Energy: 1.0593036386781642
Energy: 1.103235321595945
Energy: 1.0750907833294145
Energy: 1.049664337060625
Energy: 1.1454612448898969
Energy: 1.1288895107341483
Energy: 1.2356675412426332
Energy: 1.2136401366960266
Energy: 1.091357504604384
Energy: 1.177300609432934
Energy: 1.0519154902778995
Energy: 1.0930226271912136
Energy: 1.1040366154226264
Energy: 1.0381101805943143
Energy: 1.0661794301910945
Energy: 1.0903491837838835
Energy: 1.315581989147461
Energy: 1.1111053662929626
Energy: 1.2507344382954093
Energy: 1.2479418513297136
Energy: 1.1170297499008608
Energy: 1.0915394148993303
Energy: 1.0625037595287308
Energy: 1.1517154379991592
Energy: 1.095727217635029
Energy: 1.170034950414407
Energy: 1.0811515585340863
Energy: 1.2678126267988217
Energy: 1.2667827066044002
Energy: 1.2318193220727478
Energy: 1.2654183663104022
Energy: 1.1247696592818515
Energy: 1.1354885749612988
Energy: 1.1177363277327557
Energy: 1.1018262040892142
Energy: 1.1241409324394982
Energy: 1.0634923953608648

minimum gb energy = 0.9736612479095572 eV
minimum distance =  2.52000475796777 Angstroms
sigma value = 113


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

Energy: 1.2755762056264603
Energy: 1.4330053510824516
Energy: 1.3721852929548082
Energy: 1.261580369994014
Energy: 1.3440301713878364
Energy: 1.265477367136125
Energy: 1.3092548694834263
Energy: 1.2180409309494473
Energy: 1.180691287259916
Energy: 1.2377497963407071
Energy: 1.186299120603916
Energy: 1.213314058428422
Energy: 1.1093958873252896
Energy: 1.1142867027391703
Energy: 1.3342509113800833
Energy: 1.1305667323971371
Energy: 1.2738407410644808
Energy: 1.186108917921763
Energy: 1.169276022178933
Energy: 1.2651305017026084
Energy: 1.2831271613502457
Energy: 1.2392564161822146
Energy: 1.17368508325932
Energy: 1.3024596301289153
Energy: 1.2926387307584248
Energy: 1.2887685364501513
Energy: 1.282131778354106
Energy: 1.207887875105386
Energy: 1.1001358857891599
Energy: 1.173753022773682
Energy: 1.2181241042608395
Energy: 1.1901718751015349
Energy: 1.1929751790228167
Energy: 1.1789259657594018
Energy: 1.2281690451696952
Energy: 1.1633042091271297
Energy: 1.1849536868176556
Energy: 1.1680329033237906
Energy: 1.135526428577209
Energy: 1.1966875710542146
Energy: 1.2015517959532012
Energy: 1.1237969824751046
Energy: 1.1366945546524245
Energy: 1.1389051067808598
Energy: 1.1884402790862043
Energy: 1.1666308535635161
Energy: 1.1204424605737373
Energy: 1.1782666922271825
Energy: 1.1397855152829768
Energy: 1.1191738412467982
Energy: 1.1237382225390344
Energy: 1.1109230110927504
Energy: 1.0821614349341235
Energy: 1.0964030192383305
Energy: 1.103645446732058
Energy: 1.105397741617346
Energy: 1.0692473181246798
Energy: 1.096802406707753
Energy: 1.1548024405778952
Energy: 1.0661411662795952
Energy: 1.1840493072790446
Energy: 1.2348224488683277
Energy: 1.1951479943856262
Energy: 1.2208434876774283
Energy: 1.133321983626293
Energy: 1.2097752712552299
Energy: 1.0689472183085365
Energy: 1.086517894854843
Energy: 1.1225011087382637
Energy: 1.0780435556975398
Energy: 1.1770474679213943
Energy: 1.1319735999804934
Energy: 1.0751532944537177
Energy: 1.0512277815920608
Energy: 1.1335424154309663
Energy: 1.1309211658489497
Energy: 1.1060097265674975
Energy: 1.0864955099894513
Energy: 1.125567960617478
Energy: 1.193977105627313
Energy: 1.13226858199303
Energy: 1.100913614287449
Energy: 1.193116349315315
Energy: 1.1275456849606214
Energy: 1.2434512321870328
Energy: 1.0914022208210343
Energy: 1.1509551638759876
Energy: 1.0572657224079196
Energy: 1.1090023139572602
Energy: 1.1177135023538494
Energy: 1.0562122398036597
Energy: 1.1762281713730038
Energy: 1.1959365083216178
Energy: 1.1597596889727346
Energy: 1.1391564759272603
Energy: 1.1038351935656476
Energy: 1.202008302294883
Energy: 1.104898946553601
Energy: 1.1095791787060423
Energy: 1.2500620664323354
Energy: 1.118702664297383
Energy: 1.1645881380170395
Energy: 1.2075372343818997
Energy: 1.1795138072553684
Energy: 1.2439856325303293
Energy: 1.0456908360038184
Energy: 1.1587542981373855
Energy: 1.1903136813330626
Energy: 1.150878623000372
Energy: 1.1031342837125837
Energy: 1.1834665967010762
Energy: 1.219546830562189
Energy: 1.1697041247586595
Energy: 1.2545528324183628
Energy: 1.2549439789531327
Energy: 1.140259739481458
Energy: 1.1895061981452568
Energy: 1.3058438657860452
Energy: 1.171496969425914
Energy: 1.2317916760893766
Energy: 1.2831660984521558
Energy: 1.190431290311253
Energy: 1.2100777705586323
Energy: 1.1744195142864096
Energy: 1.1493514639756481
Energy: 1.260824988846239
Energy: 1.2312692492433477
Energy: 1.1465134440608966
Energy: 1.2345806649670947
Energy: 1.14653851918999
Energy: 1.076886065009866
Energy: 1.1524620304129016
Energy: 1.1609339771597653
Energy: 1.2661056200516003
Energy: 1.174415367784912
Energy: 1.2886422324868751
Energy: 1.2322257007471336
Energy: 1.2908667579027313
Energy: 1.280415642336746
Energy: 1.210608604871807
Energy: 1.213385783871234
Energy: 1.2765421094101894
Energy: 1.110945196664584
Energy: 1.248888053929769
Energy: 1.2557741127144812
Energy: 1.2379985688820312
Energy: 1.270322884227046
Energy: 1.173522609038462
Energy: 1.27020698659203
Energy: 1.1225777372780612
Energy: 1.1713731826749605
Energy: 1.155235648872832
Energy: 1.1398823580477226
Energy: 1.1284196301059632
Energy: 1.2601417838594773
Energy: 1.2351542339713466
Energy: 1.288290746367851
Energy: 1.375083913949109
Energy: 1.2093720811684863
Energy: 1.2882313614175238
Energy: 1.108603095103259
Energy: 1.234031888104211
Energy: 1.1456575878629272
Energy: 1.2016272192714426
Energy: 1.1421590522521539
Energy: 1.1119416026836346
Energy: 1.1672468778215055
Energy: 1.0978151831885488
Energy: 1.2646725418166156
Energy: 1.2629607961253386
Energy: 1.2723097232198013
Energy: 1.1747871884614152
Energy: 1.2272160835769599
Energy: 1.144199069406285
Energy: 1.2949557868482424
Energy: 1.1894375131025776
Energy: 1.188018680925576
Energy: 1.2707960457681382
Energy: 1.2667274174810839
Energy: 1.1905065131268218
Energy: 1.2848432326620407
Energy: 1.2374984376581493
Energy: 1.0406198159040199
Energy: 1.1658970708956349
Energy: 1.2534611499801165
Energy: 1.1136929858903488
Energy: 1.1969018968729417
Energy: 1.1012195041333908
Energy: 1.2156296205117059
Energy: 1.1628478667455073
Energy: 1.1578320832136193
Energy: 1.192623667564582
Energy: 1.164680381443981
Energy: 1.178596543789593
Energy: 1.1910419066387827
Energy: 1.1257313865751635
Energy: 1.1557175131704285
Energy: 1.117268196068702
Energy: 1.1876991689465926
Energy: 1.0659272690986017
Energy: 1.0881164270209052
Energy: 1.1595521890820417
Energy: 1.1807406051785994
Energy: 1.212618678464974
Energy: 1.1246537063724835
Energy: 1.170197762326059
Energy: 1.0566119599543873
Energy: 1.068243771790004
Energy: 1.095629684337108
Energy: 1.128148548028016
Energy: 1.0718066354170008
Energy: 1.106324054522098
Energy: 1.1827471722956913
Energy: 1.117207963370965
Energy: 1.1862900058621182
Energy: 1.1691155647876268
Energy: 1.185822180322269
Energy: 1.1693964549346823
Energy: 1.08960322082536
Energy: 1.243321392178426
Energy: 1.0583981311102422
Energy: 1.068413890538754
Energy: 1.1460039321298803
Energy: 1.0726748864113886
Energy: 1.1479978719696977
Energy: 1.0933252444502615
Energy: 1.2258996150351396
Energy: 1.0614376582312803
Energy: 1.1039086637471576
Energy: 1.1063357703228074
Energy: 1.0626491195244105
Energy: 1.0792834655952919
Energy: 1.1254677870255763
Energy: 1.1921481044605788
Energy: 1.1844581841075619
Energy: 1.1795338214922075
Energy: 1.245733822937335
Energy: 1.1303018777622573
Energy: 1.2462358264503635
Energy: 1.0899111661160346
Energy: 1.0737350244525945
Energy: 1.043880589451236
Energy: 1.1061072805372993
Energy: 1.1051878112858566
Energy: 1.0978175667168582
Energy: 1.1740257187032128
Energy: 1.1196443000463765
Energy: 1.1408858915748754
Energy: 1.106655784929791
Energy: 1.0761907667909956
Energy: 1.1894023751852334
Energy: 1.117440214130599
Energy: 1.1184240388998685
Energy: 1.064209148894836
Energy: 1.1556551323123472
Energy: 1.05493336642419
Energy: 1.1170398566552107
Energy: 1.146555265064538
Energy: 1.1721893297021362
Energy: 1.0526197045632864
Energy: 1.1688326717175925
Energy: 1.1913220494733172
Energy: 1.1492934801698445
Energy: 1.1176817333348823
Energy: 1.102677334586372
Energy: 1.2033560901725244
Energy: 1.1663588352227638
Energy: 1.2103731200706371
Energy: 1.2421138299219021
Energy: 1.2788081432387333
Energy: 1.2022921846354162
Energy: 1.2149597797875127
Energy: 1.1744101854301874
Energy: 1.232369742384617
Energy: 1.2884955365986082
Energy: 1.2238040332420987
Energy: 1.2044410147896842
Energy: 1.1187900666602835
Energy: 1.144183443506424
Energy: 1.229985555638036
Energy: 1.2542479707016
Energy: 1.1732258466896524
Energy: 1.2846219428502925
Energy: 1.1994971068779412
Energy: 1.1873625171920035
Energy: 1.17429542831526
Energy: 1.119449075681178
Energy: 1.2784300235197048
Energy: 1.2354444351698368
Energy: 1.304308651133515
Energy: 1.392497664100806
Energy: 1.3335036988601354
Energy: 1.280259096310232
Energy: 1.2579738595139802
Energy: 1.2389828054380552
Energy: 1.1388588665939716
Energy: 1.1123743159498583
Energy: 1.2126487245981126
Energy: 1.2077917163484078
Energy: 1.1220997805104598
Energy: 1.2675685481681542
Energy: 1.271117927639199
Energy: 1.1726152532222902
Energy: 1.2235667791219993
Energy: 1.2573757664364789
Energy: 1.2279092658712891
Energy: 1.2652037238276574
Energy: 1.2205002050899307
Energy: 1.2712451358285954
Energy: 1.1613161464483692
Energy: 1.3236818837993714
Energy: 1.1810273380670722
Energy: 1.2374432507712414
Energy: 1.2681955120568302
Energy: 1.2699946092613699

minimum gb energy = 1.0406198159040199 eV
minimum distance =  2.47361438825376 Angstroms
sigma value = 365


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

Energy: 1.0882425327508949
Energy: 1.2740302445636282
Energy: 1.0302450275688062
Energy: 1.0324002440640718
Energy: 1.0570644180838322
Energy: 1.030213211819669
Energy: 1.0312741708336013
Energy: 1.0805419463658694
Energy: 1.2680734054776015
Energy: 1.042202233579939
Energy: 1.03168677005353
Energy: 1.0317300929328934
Energy: 1.0428006398599832
Energy: 1.2671464713567424
Energy: 1.0814468722144925
Energy: 1.2534859872786865
Energy: 1.0420356475134052
Energy: 1.0310044387225314
Energy: 1.0319758214745212
Energy: 1.0310004228492573
Energy: 1.0306019031739884
Energy: 1.0791954780343005
Energy: 1.260118252866293
Energy: 1.0405217033333767
Energy: 1.042912106051408
Energy: 1.043946677680566
Energy: 1.0405601978703898
Energy: 1.0312219551177642
Energy: 1.1402509290769889
Energy: 1.2686117648141333
Energy: 1.084127831703421
Energy: 1.267608667933618
Energy: 1.0415521769859912
Energy: 1.072359162972677
Energy: 1.2664798842439149
Energy: 1.0789810241626325
Energy: 1.267707447620351
Energy: 1.0400654261187399
Energy: 1.0432595580432054
Energy: 1.043358547208291
Energy: 1.0315904258552944
Energy: 1.0313290191904434
Energy: 1.0819557984148604
Energy: 1.2535500915284645
Energy: 1.0419611748979967
Energy: 1.0311076285241583
Energy: 1.04123332316458
Energy: 1.0422138691561964
Energy: 1.2668363820661472
Energy: 1.0847397687856986
Energy: 1.2623247560294188
Energy: 1.0421272939411923
Energy: 1.0423655761854256
Energy: 1.0406551511323638
Energy: 1.0417760255700574
Energy: 1.2648517655312772
Energy: 1.0784303859485767
Energy: 1.268439645838731
Energy: 1.0399885120692636
Energy: 1.0432300525559515
Energy: 1.0436232588425407
Energy: 1.0320848554345674
Energy: 1.0320671996752209
Energy: 1.1425068182503353
Energy: 1.2626143117000326
Energy: 1.0718788651924438
Energy: 1.2682710013283292
Energy: 1.2677059612843096
Energy: 1.084245443444379
Energy: 1.2659166663405341
Energy: 1.0784972878390868
Energy: 1.2679686370371792
Energy: 1.0319782779695508
Energy: 1.0430311576440767
Energy: 1.043669585757708
Energy: 1.0321103932256754
Energy: 1.0312008537789206
Energy: 1.0835505445046265
Energy: 1.2531808954884727
Energy: 1.0419071271645042
Energy: 1.0310405428314309
Energy: 1.0322892986494971
Energy: 1.0423544263603544
Energy: 1.2534975016278438
Energy: 1.0826378786606776
Energy: 1.266839069302255
Energy: 1.042148327724038
Energy: 1.031435030210664
Energy: 1.0408856255678849
Energy: 1.042094994602539
Energy: 1.2676433943675098
Energy: 1.0790068946458309
Energy: 1.2672238522396393
Energy: 1.0303200101601018
Energy: 1.0331043886346938
Energy: 1.0436560168883597
Energy: 1.0313324121321399
Energy: 1.0314041002122134
Energy: 1.1400624579829213
Energy: 1.269562399347077
Energy: 1.0721019616940444
Energy: 1.0315980394885211
Energy: 1.0414450035850682
Energy: 1.042936923736005
Energy: 1.2665469028178458
Energy: 1.0797655151313958
Energy: 1.2552343531925525
Energy: 1.0414060156359017
Energy: 1.0427500539256853
Energy: 1.0441284594001583
Energy: 1.0409920611284198
Energy: 1.042086006953368
Energy: 1.0807483695548206
Energy: 1.253271055394484
Energy: 1.0412653668260237
Energy: 1.0317930421493775
Energy: 1.0310559123147314
Energy: 1.0409583852561655
Energy: 1.042593770329259
Energy: 1.1399982647973506
Energy: 1.2687529497419732
Energy: 1.0422807157975398
Energy: 1.0316978961711218
Energy: 1.0411256904962454
Energy: 1.0426870512835362
Energy: 1.26706922268949
Energy: 1.0799415696782488
Energy: 1.2678438592442292
Energy: 1.040814083504095
Energy: 1.032544340635326
Energy: 1.0567246395593402
Energy: 1.0408454717622972
Energy: 1.031188959908655
Energy: 1.0829149589839517
Energy: 1.2670059774593947
Energy: 1.042159557573227
Energy: 1.0316211634253272
Energy: 1.031573113356113
Energy: 1.0427006258708371
Energy: 1.267948460820788

minimum gb energy = 1.030213211819669 eV
minimum distance =  2.53067366096669 Angstroms
sigma value = 23