Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.647307395935058
cohesive_energy=4.1514736222019355
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-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: 0.015729709689501492
Energy: 0.0163346641589179
Energy: 0.01644440041228089
Energy: 0.016000685601268275
Energy: 0.8519057108875719
Energy: 0.01615959108508513
Energy: 0.01633466415833598
Energy: 0.1284507176340505
Energy: 0.1283993195702232
Energy: 0.1287514555786378
Energy: 0.12833143932468138
Energy: 0.1298520887626479
Energy: 0.016444400411082815
Energy: 0.1283993195708394
Energy: 0.12970558896011536
Energy: 0.016203391794188306
Energy: 0.12841472482394306
Energy: 0.12924575735359023
Energy: 0.016000685601576355
Energy: 0.12875145557925394
Energy: 0.016203391793606386
Energy: 0.016153801308110855
Energy: 0.12867011704132716
Energy: 0.016189331327174414
Energy: 0.8519057108881881
Energy: 0.12833143932618754
Energy: 0.12841472482332686
Energy: 0.12867011704071102
Energy: 0.1284974086185643
Energy: 0.12844898110138986
Energy: 0.01615959108477705
Energy: 0.12985208876415405
Energy: 0.12924575735146793
Energy: 0.016189331327174414
Energy: 0.1284489811007737
Energy: 0.016193557425277175

minimum gb energy = 0.015729709689501492 eV
minimum distance =  2.57596008194543 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.8844412707915528
Energy: 2.1269931773030417
Energy: 1.257131029211318
Energy: 1.5246905923927825
Energy: 1.1213975290560323
Energy: 1.2465609024250823
Energy: 1.8669023833885738
Energy: 1.137981932352341
Energy: 1.0911356615478056
Energy: 1.150722133439356
Energy: 1.1456152887163689
Energy: 1.0634730210713015
Energy: 1.9973232949043056
Energy: 1.115045975178158
Energy: 1.064894237284051
Energy: 1.1625558210709004
Energy: 1.1584083752125967
Energy: 1.089272561961441
Energy: 1.974692739253699
Energy: 1.1771337168138236
Energy: 1.1337911174653794
Energy: 1.1725280884545242
Energy: 1.0861703506897191
Energy: 1.192332174287934
Energy: 1.8397343437879123
Energy: 1.1187633168883515
Energy: 1.111496863293703
Energy: 1.148377714718579
Energy: 1.1244157027283461
Energy: 1.109364100282775
Energy: 1.685444772619212
Energy: 1.1508919208874235
Energy: 1.042475195153865
Energy: 1.066107073979213
Energy: 1.1643682149865273
Energy: 1.0667636671565892
Energy: 1.6956515634116407
Energy: 1.0168971567749332
Energy: 1.0203932161991738
Energy: 1.0884261072164494
Energy: 1.046694847263445
Energy: 1.0856362498158145
Energy: 1.7999071648733354
Energy: 1.1438693535509963
Energy: 1.1282812981672594
Energy: 1.113685849739643
Energy: 1.1263535649377776
Energy: 1.054656193830946
Energy: 1.2763366863993442
Energy: 1.0746262846404875
Energy: 1.0226002137181702
Energy: 1.091283715117861
Energy: 1.081944509205585
Energy: 1.01823791370666
Energy: 1.3636479418422047
Energy: 1.1484894276246007
Energy: 1.1305708307628624
Energy: 1.1197182841672946
Energy: 1.1512041963268156
Energy: 1.1369649539774198
Energy: 1.386049454729619
Energy: 1.079082481808734
Energy: 1.0854315810778037
Energy: 1.3788063274458422
Energy: 1.5236333886656654
Energy: 1.1763065900749534
Energy: 1.1430998433905313
Energy: 1.1437840967382855
Energy: 1.1388103261693308
Energy: 1.1392687196131686
Energy: 1.1820479136174862
Energy: 1.15268887992689
Energy: 1.1227079284900152
Energy: 1.1311118709315422
Energy: 1.133336699193744
Energy: 1.122255603535522
Energy: 1.1481536819622882
Energy: 1.1336523863726362
Energy: 1.3434742734708223
Energy: 1.1030949952097708
Energy: 1.166740868626881
Energy: 1.3357295938068003
Energy: 1.4528939336639328
Energy: 1.171440735996982
Energy: 1.191480501227018
Energy: 1.1342448636743716
Energy: 1.1065859999806786
Energy: 1.1316081019734727
Energy: 1.1341468622987416
Energy: 1.1308415119352673
Energy: 1.1838532792924
Energy: 1.1168572252216131
Energy: 1.0720690910381385
Energy: 1.1224929192672977
Energy: 1.1286999720660555
Energy: 1.0910138694712062
Energy: 1.7063542616466447
Energy: 1.157022968004741
Energy: 1.120335461121044
Energy: 1.0398491212600076
Energy: 1.0883011810007686
Energy: 1.0578261104219981
Energy: 1.469711375091599
Energy: 1.0527646967677702
Energy: 1.0865559511340628
Energy: 1.147294099764157
Energy: 1.0790351134346878
Energy: 1.0932635814635512
Energy: 1.474594560103244
Energy: 1.1107869813612439
Energy: 1.060837409777437
Energy: 1.1256140643360648
Energy: 1.1273194766343915
Energy: 1.092066605502266
Energy: 1.8699759707445387
Energy: 1.0833859205705987
Energy: 1.056939537696562
Energy: 1.1155272240836163
Energy: 1.1395947635487647
Energy: 1.0809154215057957
Energy: 1.841084491601621
Energy: 1.2309988526391888
Energy: 1.1439170532860339
Energy: 1.0831841199177719
Energy: 1.216248351446703
Energy: 1.0715212812871449
Energy: 1.855133999031961
Energy: 1.1040950777261582
Energy: 1.020871714641575
Energy: 1.0871396277889385
Energy: 1.1892442927933933
Energy: 1.1162294608305163
Energy: 1.8673967693795421
Energy: 1.1135893026946915
Energy: 1.1410521738189379
Energy: 1.0987279895606243
Energy: 1.1443839385387096
Energy: 1.1101042178478056

minimum gb energy = 1.0168971567749332 eV
minimum distance =  2.35209671263618 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.056023387341153
Energy: 1.6571904993765258
Energy: 1.659289727439197
Energy: 1.6572089026670667
Energy: 1.1660447497525854
Energy: 1.6568656722777186
Energy: 1.9343850495944883
Energy: 1.0534221268337771
Energy: 1.11341236227507
Energy: 1.16884003356725
Energy: 1.0573139482887972
Energy: 1.0375860711293212
Energy: 1.8516818889766113
Energy: 1.1124205201514579
Energy: 1.1064275666998538
Energy: 1.1608466482667754
Energy: 1.1146116660459278
Energy: 1.1062662426478356
Energy: 1.7210616382940593
Energy: 1.1126154027808213
Energy: 1.1646553379511406
Energy: 1.21083923072034
Energy: 1.1130937565983707
Energy: 1.2331444297552154
Energy: 1.824829726556709
Energy: 1.1069682081762535
Energy: 1.1069972184236672
Energy: 1.1669110020439994
Energy: 1.1624809105348057
Energy: 1.0882986892256463
Energy: 1.6791830261528646
Energy: 1.0934353622502007
Energy: 1.1765459575107438
Energy: 1.1908902251761548
Energy: 1.1045430915595775
Energy: 1.1733516911083954
Energy: 1.6795753390129764
Energy: 1.0786469540045156
Energy: 1.0767505324825646
Energy: 1.2050287982403327
Energy: 1.1391215617735246
Energy: 1.0767168162647702
Energy: 1.6277803123633827
Energy: 1.1123555945749015
Energy: 1.114079801958539
Energy: 1.2332300438204415
Energy: 1.1296183708276477
Energy: 1.1182575555305752
Energy: 1.2397537466904531
Energy: 1.113303159805952
Energy: 1.0883235616287898
Energy: 1.12710420979284
Energy: 1.1373394656389797
Energy: 1.0808230250400679
Energy: 1.2334588662119885
Energy: 1.1020595082022586
Energy: 1.1035362859686377
Energy: 1.0919872218772104
Energy: 1.1023081460133557
Energy: 1.1038171559266348
Energy: 1.4144690875234518
Energy: 1.1256983551535666
Energy: 1.1840530860686946
Energy: 1.2318654922740062
Energy: 1.6590513254132693
Energy: 1.2396008825060212
Energy: 1.1672580628598643
Energy: 1.0982870295175646
Energy: 1.1032971182815539
Energy: 1.1191722317592105
Energy: 1.1628797774688793
Energy: 1.0376149093792604
Energy: 1.1143754500259035
Energy: 1.1025000851517854
Energy: 1.1165972222256773
Energy: 1.1138539802476288
Energy: 1.102569706269301
Energy: 1.1068524741890258
Energy: 1.4305793160563722
Energy: 1.2632595352483167
Energy: 1.2896242317257687
Energy: 1.113020595077171
Energy: 1.2627526845170085
Energy: 1.3663948633048422
Energy: 1.2890708705499254
Energy: 1.0387582259381007
Energy: 1.0874233979524097
Energy: 1.1604330013842918
Energy: 1.1029422795327997
Energy: 1.0868196177167748
Energy: 1.4090577651295166
Energy: 1.1535496646194685
Energy: 1.1037230027715774
Energy: 1.2797428331328657
Energy: 1.1890200326657459
Energy: 1.039612443138031
Energy: 1.789777827169869
Energy: 1.194786927094635
Energy: 1.1839620761010734
Energy: 1.2368984368071119
Energy: 1.1895811939407337
Energy: 1.1766198930019804
Energy: 1.4130513259492943
Energy: 1.109665896642702
Energy: 1.0910755429781427
Energy: 1.1213988851861845
Energy: 1.1533981333595542
Energy: 1.116379861584581
Energy: 1.411156732704819
Energy: 1.0896555397132732
Energy: 1.0796208612931806
Energy: 1.1127887751359877
Energy: 1.1156499166343155
Energy: 1.0889255809551373
Energy: 1.8466359391140488
Energy: 1.0779053987905747
Energy: 1.0388279270167151
Energy: 1.3125481961867724
Energy: 1.0937934738145625
Energy: 1.1033455519862658
Energy: 2.028482459836774
Energy: 1.3048468697742237
Energy: 1.1829237851005698
Energy: 1.2431827153819968
Energy: 1.3579835121761523
Energy: 1.2393774234832362
Energy: 1.9276621594127656
Energy: 1.1344667674330768
Energy: 1.0421807828858214
Energy: 1.2287191355202514
Energy: 1.1170190444751043
Energy: 1.103256035071087
Energy: 1.845862010185736
Energy: 1.1105188381276427
Energy: 1.106390484378727
Energy: 1.1034297160259503
Energy: 1.112406000794488
Energy: 1.1107316977506592
Energy: 1.7440478152739978
Energy: 1.4723969184023555
Energy: 1.4729649556227928
Energy: 1.2065138341229023
Energy: 1.4725623280539821
Energy: 1.2634645405206433
Energy: 1.8601984903496298
Energy: 1.1081276640629858
Energy: 1.1072835415361133
Energy: 1.1027565901637095
Energy: 1.1078949163099236
Energy: 1.1094634670301304
Energy: 1.681292360134481
Energy: 1.0926825277320313
Energy: 1.0744210325362
Energy: 1.176624986458698
Energy: 1.1036471315925631
Energy: 1.118206284482685
Energy: 1.7220274290238828
Energy: 1.1722469173110739
Energy: 1.1765274278774904
Energy: 1.1900447880528398
Energy: 1.2391237724192132
Energy: 1.10476850484804
Energy: 1.6961432968478356
Energy: 1.1142642822332691
Energy: 1.1163477188823177
Energy: 1.2487855972362578
Energy: 1.1177607066138466
Energy: 1.0409992939167494
Energy: 1.2400622102972285
Energy: 1.112875208927553
Energy: 1.1146125145797292
Energy: 1.0896781275015717
Energy: 1.1165267494518343
Energy: 1.0794677611424335
Energy: 1.2338184261857936
Energy: 1.068772171236704
Energy: 1.0794052637279294
Energy: 1.0911054521427743
Energy: 1.1033662615979072
Energy: 1.078737931035831
Energy: 1.5404063429929025
Energy: 1.1828782305408547
Energy: 1.2398126982254822
Energy: 1.1655123750229803
Energy: 1.2400010910967574
Energy: 1.2392615179218374
Energy: 1.173211650192576
Energy: 1.0957592670599303
Energy: 1.0953577501376286
Energy: 1.172936459582484
Energy: 1.1365074717386874
Energy: 1.086726728684285
Energy: 1.1220738098890637
Energy: 1.0872687061615214
Energy: 1.087732139666261
Energy: 1.1212896151069145
Energy: 1.1027146452385306
Energy: 1.0904363485915234
Energy: 1.0565272833750894
Energy: 1.2635610124451473
Energy: 1.2645377877707376
Energy: 1.1125054775940832
Energy: 1.2098650168015892
Energy: 1.1830789223301261
Energy: 1.4026212281719312
Energy: 1.1026358667444092
Energy: 1.0879191246757238
Energy: 1.107022678466391
Energy: 1.102517713817913
Energy: 1.1065218813367617
Energy: 1.318467253614599
Energy: 1.0402899951687161
Energy: 1.1984485092243276
Energy: 1.1020473818570056
Energy: 1.0762095502602462
Energy: 1.1325700744572211
Energy: 1.2920927989043878
Energy: 1.1504979899044385
Energy: 1.1315241734520864
Energy: 1.1045133070520767
Energy: 1.1493417929560754
Energy: 1.1769528953567963
Energy: 1.4228523261171866
Energy: 1.1093990448148934
Energy: 1.107779795862832
Energy: 1.113356411191023
Energy: 1.1101901622344021
Energy: 1.0401186177147863
Energy: 1.411846172322229
Energy: 1.09080721581749
Energy: 1.0911095125585544
Energy: 1.1374244036773458
Energy: 1.1017781940331686
Energy: 1.0999041459888774
Energy: 1.7787766523651003
Energy: 1.0756040017129078
Energy: 1.0762228164690073
Energy: 1.1232903403279986
Energy: 1.1153230516423418
Energy: 1.0773935010098543
Energy: 2.0295629137959685
Energy: 1.1234744849828457
Energy: 1.2041149347395976
Energy: 1.239984550812603
Energy: 1.111683346051163
Energy: 1.23115293937232

minimum gb energy = 1.0375860711293212 eV
minimum distance =  2.31576299053333 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.9508564192626885
Energy: 1.3595702232143452
Energy: 2.0518122245107833
Energy: 1.5619232213013403
Energy: 1.1786818613690364
Energy: 1.3181870771337543
Energy: 2.0244101352888446
Energy: 1.1582495467994192
Energy: 1.211738290125965
Energy: 1.1394595462977766
Energy: 1.1578932757924154
Energy: 1.107789001801245
Energy: 1.832974450301305
Energy: 1.12348806752827
Energy: 1.1284086995602427
Energy: 1.0636689085230642
Energy: 1.121685151552031
Energy: 1.1325084581268265
Energy: 1.7474705749960995
Energy: 1.2644793157449934
Energy: 1.2153397835175574
Energy: 1.283511706838357
Energy: 1.3779905421480731
Energy: 1.2362839455849592
Energy: 1.7902004588693188
Energy: 1.1257465840004222
Energy: 1.1463554142759962
Energy: 1.2664101298427155
Energy: 1.1362486552677336
Energy: 1.0635204462135206
Energy: 1.4081516309095221
Energy: 1.1194732531524336
Energy: 1.1919719317459139
Energy: 1.1455763073691398
Energy: 1.1449893432298128
Energy: 1.1912634606273753
Energy: 1.4133132859435198
Energy: 1.1295744557174396
Energy: 1.111609206875784
Energy: 1.1685791317404524
Energy: 1.2190238348780014
Energy: 1.1229435326389903
Energy: 1.6789051967499538
Energy: 1.2236013222040283
Energy: 1.220901470067205
Energy: 1.4563477519563819
Energy: 1.2326196614842975
Energy: 1.2579341847917334
Energy: 1.2171794150206163
Energy: 1.1354523361066635
Energy: 1.1383568248156748
Energy: 1.2171521113105168
Energy: 1.1363960983280768
Energy: 1.114134185030435
Energy: 1.1513884987701553
Energy: 1.1364521208842837
Energy: 1.1229857205371259
Energy: 1.1251811118133832
Energy: 1.191290014904154
Energy: 1.0961015168471937
Energy: 1.1742301630002985
Energy: 1.346305086103023
Energy: 1.1537253007555728
Energy: 1.1772595667098058
Energy: 1.2079436464262705
Energy: 1.1777316185392153
Energy: 1.2564613459416154
Energy: 1.1235964674604204
Energy: 1.123002325492877
Energy: 1.1129525888969785
Energy: 1.0883918444272633
Energy: 1.095276084435983
Energy: 1.2807824927126161
Energy: 1.1715454325330066
Energy: 1.2041243060156148
Energy: 1.147759224422538
Energy: 1.1712930397327044
Energy: 1.1546225199360558
Energy: 1.3601763537443479
Energy: 1.1622397241887028
Energy: 1.172259002516502
Energy: 1.3145410695173034
Energy: 1.248530013686196
Energy: 1.1883038837090927
Energy: 1.5372293673413946
Energy: 1.145327524789408
Energy: 1.14516301709435
Energy: 1.1556919617394643
Energy: 1.238509729222369
Energy: 1.1450195213635121
Energy: 1.5532130927267267
Energy: 1.1597943150987908
Energy: 1.2273146930726717
Energy: 1.2068523331856704
Energy: 1.1018899573693595
Energy: 1.2430706643719818
Energy: 1.828736740429279
Energy: 1.0961990143194356
Energy: 1.1329705049396759
Energy: 1.1710780963082568
Energy: 1.1336008751379134
Energy: 1.1580457861460869
Energy: 1.9140999822267593
Energy: 1.1543465332203562
Energy: 1.0753344875524995
Energy: 1.2267439429012026
Energy: 1.150470006958283
Energy: 1.074670089685886

minimum gb energy = 1.0635204462135206 eV
minimum distance =  2.34967277407483 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.6933598892228543
Energy: 1.3238043576880931
Energy: 1.3273023144338816
Energy: 1.3291221666510011
Energy: 1.9727276338672914
Energy: 1.3290666385552221
Energy: 1.6191077187358762
Energy: 1.0833627430869233
Energy: 1.1281583530930044
Energy: 1.1701694018371769
Energy: 1.042839038276977
Energy: 1.1129624414676167
Energy: 1.7573904837047063
Energy: 1.0951874580016592
Energy: 1.0959509372795637
Energy: 1.1701909402372133
Energy: 1.0552950994580357
Energy: 1.0953662747459065
Energy: 1.3506642302622796
Energy: 1.107824221969758
Energy: 1.1080221629000448
Energy: 1.182682124741481
Energy: 1.1081550115937153
Energy: 1.107922217461408
Energy: 1.7562969703321842
Energy: 1.0955105149764586
Energy: 1.1216791926972935
Energy: 1.1711713621054558
Energy: 1.0958266955800986
Energy: 1.1229919126764862
Energy: 1.3318224617692282
Energy: 1.0459749413518227
Energy: 1.1474291041254527
Energy: 1.1448025482339963
Energy: 1.0011434711361662
Energy: 1.17331994283273
Energy: 1.3329445675271834
Energy: 1.1248762447957519
Energy: 1.1446790388048582
Energy: 1.1166257587948458
Energy: 1.1022193483356924
Energy: 1.1618867514661324
Energy: 1.4137644404361356
Energy: 1.1873226656519928
Energy: 1.2026312871406861
Energy: 1.4154684737261467
Energy: 1.20109874314652
Energy: 1.2025789872222616
Energy: 1.043025469016917
Energy: 1.152753942167605
Energy: 1.1668846266189452
Energy: 1.0430003251224915
Energy: 1.1877642487552866
Energy: 1.1304088649403894
Energy: 1.0554712487913886
Energy: 1.1218854959377194
Energy: 1.127858082584168
Energy: 1.0555910863499425
Energy: 1.1084286500028409
Energy: 1.12864937438193
Energy: 1.043083441396692
Energy: 1.183187511916115
Energy: 1.2104820770004519
Energy: 1.045687759214833
Energy: 1.1829297014283329
Energy: 1.1082522760968234
Energy: 1.4549258073152358
Energy: 1.1216932817909864
Energy: 1.108426397414641
Energy: 1.096031543961547
Energy: 1.1701724691600504
Energy: 1.095582104782039
Energy: 1.001192068361294
Energy: 1.281136775243322
Energy: 1.2799944051378214
Energy: 1.0016503894849127
Energy: 1.2820056879281365
Energy: 1.2360564967448893
Energy: 1.596708575291756
Energy: 1.2323875753826277
Energy: 1.2307591610984738
Energy: 1.2358034517456649
Energy: 1.2063815825611186
Energy: 1.2317987502589813
Energy: 1.6187891866304789
Energy: 1.1223175469049873
Energy: 1.1222023263230176
Energy: 1.2014645202847274
Energy: 1.096246143462799
Energy: 1.1514452930843746
Energy: 1.6195438522080587
Energy: 1.272462997995752
Energy: 1.2521979982387212
Energy: 1.2010877809304474
Energy: 1.2390911699542715
Energy: 1.1736290458972787
Energy: 1.7506965763191324
Energy: 1.095739156220111
Energy: 1.128756755493895
Energy: 1.1698844889858762
Energy: 1.0551211677400671
Energy: 1.1282536005648565
Energy: 1.3489883705100962
Energy: 1.1079266547411406
Energy: 1.0956323005987294
Energy: 1.1823666471638727
Energy: 1.042469373525933
Energy: 1.0950873920709254
Energy: 1.349657177113706
Energy: 1.0955264248024044
Energy: 1.095960542219709
Energy: 1.117005686391112
Energy: 1.0646494967550406
Energy: 1.0956520720295504
Energy: 1.5691062587837967
Energy: 1.0016716240227952
Energy: 1.1547028776639003
Energy: 1.1743923719808984
Energy: 1.000976189446415
Energy: 1.1316541939623854
Energy: 1.3599480468172584
Energy: 1.2150083712739868
Energy: 1.236086189882634
Energy: 1.2089208720763762
Energy: 1.0845976178538335
Energy: 1.2346861414830774
Energy: 1.3318353621958758
Energy: 1.1085590066040611
Energy: 1.1084881955265422
Energy: 1.096010450490148
Energy: 1.1086312631677657
Energy: 1.1223553490551286
Energy: 1.2949872673413214
Energy: 1.324526648969313
Energy: 1.324564367812565
Energy: 1.1725897740960485
Energy: 1.3244690665695593
Energy: 1.3279797555033959
Energy: 1.0426979963884606
Energy: 1.1679771801303793
Energy: 1.1120635056706192
Energy: 1.0426988653329243
Energy: 1.1380938610899942
Energy: 1.1199515108055502
Energy: 1.0434626692385975
Energy: 1.108706187470354
Energy: 1.0951543063198408
Energy: 1.043080433596681
Energy: 1.1085799013119924
Energy: 1.0953991067705995
Energy: 1.3240147424110198
Energy: 1.1560226309219799
Energy: 1.1866618959627047
Energy: 1.1096581608532077
Energy: 1.1557373052285675
Energy: 1.1081142433109468
Energy: 1.4544853980604469
Energy: 1.1220579921246485
Energy: 1.122524196068396
Energy: 1.0965306531414913
Energy: 1.1327456543787795
Energy: 1.1220753656446478
Energy: 1.001028712282564
Energy: 1.161316740792395
Energy: 1.1606344953136216
Energy: 1.0010753153072207
Energy: 1.1450340730358348
Energy: 1.1742075677133172
Energy: 1.6645523930666297
Energy: 1.1617244159659688
Energy: 1.1610711301354377
Energy: 1.1024397724370962
Energy: 1.1169887484715968
Energy: 1.174722441748342
Energy: 1.6190966294032836
Energy: 1.2503555464045366
Energy: 1.2026105420648243
Energy: 1.2046122891119702
Energy: 1.3117181911580709
Energy: 1.2024331509886192

minimum gb energy = 1.000976189446415 eV
minimum distance =  2.36055376265025 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4288592905410664
Energy: 1.8954399609827852
Energy: 1.8962115158453567
Energy: 1.128062130248901
Energy: 1.3964249720861144
Energy: 1.9304801214420972
Energy: 1.9481955717178798
Energy: 1.1390437667705233
Energy: 1.1302612910894556
Energy: 1.1521912111892045
Energy: 1.0984899700397397
Energy: 1.1226473086941726
Energy: 1.8615394027231176
Energy: 1.2261294132053926
Energy: 1.2271129981675353
Energy: 1.1929923324688707
Energy: 1.2105331806476973
Energy: 1.2550954886770929
Energy: 1.6441290712356311
Energy: 1.2955767851734832
Energy: 1.2787981740862213
Energy: 1.2617370487543003
Energy: 1.302508350078786
Energy: 1.2717356708014236
Energy: 1.7372648702416134
Energy: 1.1080919227331525
Energy: 1.0230910563441564
Energy: 1.0894052529397782
Energy: 1.1247271013636548
Energy: 1.0844042325319803
Energy: 1.212036931215519
Energy: 1.0751837567227274
Energy: 1.0888865283063807
Energy: 1.2121338823613372
Energy: 1.1244700372308432
Energy: 1.0832856917443636
Energy: 1.1741186871272629
Energy: 1.0386965845247098
Energy: 0.9975768515338067
Energy: 1.1748184711477594
Energy: 1.0384125878015458
Energy: 1.1327759801511932
Energy: 1.2759382620263233
Energy: 1.2287092965946624
Energy: 1.2604045994619277
Energy: 1.2943002471622513
Energy: 1.2741891328078014
Energy: 1.253105175786841
Energy: 1.4052193816314893
Energy: 1.2589863475346446
Energy: 1.0408805471074396
Energy: 1.1413109921510034
Energy: 1.2588701819860144
Energy: 1.0979046150193958
Energy: 1.2143281705382842
Energy: 1.074172525669859
Energy: 1.1310780470837898
Energy: 1.107011079374207
Energy: 1.1313066260982672
Energy: 1.0800936708836055
Energy: 1.4194411017886812
Energy: 1.0937830340021137
Energy: 1.1144977948573178
Energy: 1.163840106677284
Energy: 1.1503769563925381
Energy: 1.13066183608714
Energy: 1.7293303705066234
Energy: 1.1057053530328955
Energy: 1.0950015491519993
Energy: 1.0253917373431187
Energy: 1.0690811469313088
Energy: 1.0572332321141067

minimum gb energy = 0.9975768515338067 eV
minimum distance =  2.3592127083862 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.2376870765187657
Energy: 1.3511145256627095
Energy: 1.2277119873369384
Energy: 1.8572671363496498
Energy: 1.9707850796088602
Energy: 1.290744010376114
Energy: 1.4663239601771803
Energy: 1.0773638938393562
Energy: 1.0280367063052358
Energy: 1.0139927787195528
Energy: 1.106591505586496
Energy: 1.0895928907471706
Energy: 1.4002421061913413
Energy: 1.0754312951751863
Energy: 1.0517583051274126
Energy: 1.0866000831813722
Energy: 1.0528523970964871
Energy: 1.0305716213218796
Energy: 1.417918032352112
Energy: 1.0571413018332738
Energy: 1.0598225696070265
Energy: 1.1398171591429869
Energy: 1.1958508836197155
Energy: 1.0592690547098236
Energy: 1.3811034237338107
Energy: 1.089812097616779
Energy: 1.1460178401350725
Energy: 1.2071313025163848
Energy: 1.1274558301047644
Energy: 1.1707984281582002
Energy: 1.1475265994259405
Energy: 1.1777508101634055
Energy: 1.2187427496649004
Energy: 1.1477961460054402
Energy: 1.2129624748578065
Energy: 1.2040127199783512
Energy: 1.0154469267037602
Energy: 0.8968905277696335
Energy: 0.9715100667294017
Energy: 1.0100827668249825
Energy: 0.910997328218813
Energy: 0.9680282604044159
Energy: 1.113846809275229
Energy: 1.0806700665510236
Energy: 1.1576343526880466
Energy: 1.113569636177507
Energy: 1.110474084350703
Energy: 1.189399809429781
Energy: 1.3708921507719654
Energy: 1.0412699595132515
Energy: 1.058931653641563
Energy: 1.1362196811221612
Energy: 1.0458483433610013
Energy: 1.1118427313517218
Energy: 1.6596576530373799
Energy: 1.1942284334733426
Energy: 1.193962882469838
Energy: 1.2103909460432112
Energy: 1.2589124349092848
Energy: 1.1779942279878932
Energy: 1.617471517383171
Energy: 1.1213628702791874
Energy: 1.0478806618571372
Energy: 1.1607711016404956
Energy: 1.1133311332255877
Energy: 1.0141072105030424
Energy: 1.5820613746738006
Energy: 1.065045343679252
Energy: 1.0577786352169782
Energy: 0.9773442597082612
Energy: 1.0564635534013445
Energy: 1.0376901484916747
Energy: 1.955166471879413
Energy: 1.5539809739991288
Energy: 1.6449545116767441
Energy: 1.3541466963033626
Energy: 1.2389922193767249
Energy: 1.3406540666325701
Energy: 1.3632247123753098
Energy: 1.1221972069184367
Energy: 1.061071881136693
Energy: 0.9441557785643042
Energy: 1.1235636387419197
Energy: 1.0646095870324745
Energy: 1.2925484009957626
Energy: 0.9970187085573067
Energy: 0.9864167158606523
Energy: 1.2591838759395877
Energy: 1.0382605259113002
Energy: 1.1737759732727329
Energy: 1.0252707552619411
Energy: 0.9437470890479067
Energy: 0.9634964800486069
Energy: 0.9842719143675938
Energy: 0.9440507183186899
Energy: 0.9811783533836952
Energy: 1.024252634730414
Energy: 1.0817112293493287
Energy: 1.1168770265569261
Energy: 1.0217168337326081
Energy: 1.1112539305135318
Energy: 1.0853016761704752
Energy: 1.3678484735425236
Energy: 1.1662658796640863
Energy: 1.2681445508463574
Energy: 1.2938269853537416
Energy: 1.1628780645629273
Energy: 1.2528302146775518
Energy: 1.1685503693078199
Energy: 1.0552414320330548
Energy: 0.9670960840438675
Energy: 1.022970765602166
Energy: 0.9373570431836988
Energy: 0.9698100865070789
Energy: 1.1510917201511395
Energy: 0.9597853832239218
Energy: 0.9533377062710858
Energy: 0.9971845577841583
Energy: 0.9787210927182665
Energy: 0.9576142580666972
Energy: 1.3694553673073924
Energy: 0.9946055899808848
Energy: 0.9778414398716184
Energy: 0.9910657485722318
Energy: 0.9776819843991968
Energy: 0.958337123963992
Energy: 2.1905012583355816
Energy: 1.3067795990791773
Energy: 1.3055944121961451
Energy: 1.1033303417842275
Energy: 1.3946610464123115
Energy: 1.1897886607358426
Energy: 1.8556828642140293
Energy: 1.0547695506623243
Energy: 1.0562674629275184
Energy: 1.1179142637151458
Energy: 1.0588276383682056
Energy: 1.0948797675644535
Energy: 1.452996528890595
Energy: 1.0042958455047446
Energy: 0.9978417555897012
Energy: 1.0520772803967342
Energy: 0.9849615747904075
Energy: 1.0039582293814182
Energy: 1.4253981667116822
Energy: 1.2313239643923728
Energy: 1.2043960698037974
Energy: 1.2731306370120723
Energy: 1.1201893418668345
Energy: 1.205703773344263
Energy: 1.333570135492198
Energy: 0.9324975707055381
Energy: 0.9952063002745228
Energy: 1.04576970894515
Energy: 0.9411539467895866
Energy: 0.9837327545246698
Energy: 1.7881599447077963
Energy: 1.1969138461477096
Energy: 1.2831901890887352
Energy: 1.7871751811150436
Energy: 1.4518296549123535
Energy: 1.219368694942653
Energy: 1.145992674124722
Energy: 0.9933460590137092
Energy: 0.9762914427870707
Energy: 1.1217325227981367
Energy: 0.9590472380012038
Energy: 0.94654089394455
Energy: 1.0948017937779633
Energy: 1.0685930170250764
Energy: 1.069656237891007
Energy: 1.056422029007308
Energy: 1.1372735406056003
Energy: 1.061808294529714
Energy: 1.3914763000121702
Energy: 1.0761787533542904
Energy: 1.1672785033496662
Energy: 1.3661863578429143
Energy: 1.1399114747394448
Energy: 1.1933363758665838
Energy: 1.6182705098410446
Energy: 1.0142073943003123
Energy: 1.0320460805634282
Energy: 1.1651369256765112
Energy: 1.1286623529508792
Energy: 1.0122566122875032
Energy: 1.6579759735893551
Energy: 1.1893374450335545
Energy: 1.1886816856092324
Energy: 1.2108253379248892
Energy: 1.1981073406696896
Energy: 1.1601194240713626
Energy: 1.625780664330342
Energy: 1.034612460993801
Energy: 0.989426395394526
Energy: 0.9116122584624777
Energy: 1.082466962852636
Energy: 0.9483399993433448
Energy: 1.9253206693035538
Energy: 1.2458714482369444
Energy: 1.2232351445332805
Energy: 1.1608972738129701
Energy: 1.2025922473314727
Energy: 1.1746926796280341
Energy: 1.7353894085689887
Energy: 1.1948743874845338
Energy: 1.0570262087869724
Energy: 1.1460471757999937
Energy: 1.1853026077528297
Energy: 1.0357073147332998
Energy: 1.2641531393970766
Energy: 0.9920004580956618
Energy: 1.032028120610632
Energy: 1.202976802182418
Energy: 1.0496002588222715
Energy: 1.043560243846755
Energy: 0.9958315914250007
Energy: 0.9104424265595751
Energy: 0.9792247466105158
Energy: 0.9988075330135222
Energy: 1.0686966582650408
Energy: 0.9984446067605948
Energy: 1.0505006361788114
Energy: 1.0398025101351376
Energy: 1.0287881450053908
Energy: 1.0522007052518545
Energy: 1.081492871933057
Energy: 0.9946710387259976
Energy: 1.2412762139341522
Energy: 1.2134564865822692
Energy: 1.3281585730823426
Energy: 1.2870148504896421
Energy: 1.3532474431823966
Energy: 1.2627318064465092
Energy: 1.160370726721649
Energy: 1.0401868123465217
Energy: 0.9904833507122138
Energy: 1.025081061682959
Energy: 1.039552338389579
Energy: 0.9951445099630265
Energy: 1.0623133215434006
Energy: 0.9998498106373671
Energy: 0.9815652132724867
Energy: 1.0022405081788666
Energy: 1.0161100089116482
Energy: 0.9667375172649308
Energy: 1.2099297100492252
Energy: 0.9749439623576032
Energy: 0.9701583366171461
Energy: 1.0347074885870795
Energy: 0.9984741748627628
Energy: 0.9637677272048444
Energy: 1.8549062871098596
Energy: 1.096298171495843
Energy: 1.0773648646619327
Energy: 1.128362155933246
Energy: 1.0676594353804345
Energy: 1.1148520997076725

minimum gb energy = 0.8968905277696335 eV
minimum distance =  2.39593570778406 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.5860671824568519
Energy: 0.532301527932636
Energy: 0.5265291866813369
Energy: 0.5891205599830431
Energy: 1.672410770757995
Energy: 0.5217413924549819
Energy: 0.58723604412241
Energy: 0.5783887300291918
Energy: 0.5398069944522752
Energy: 0.6073167018724964
Energy: 0.5776815625665568
Energy: 0.5526166860276834
Energy: 0.6886608596610315
Energy: 0.612780356765062
Energy: 0.6127228763238488
Energy: 0.5726201000157363
Energy: 0.6122588594527172
Energy: 0.6125146882602006
Energy: 0.6890784868689239
Energy: 0.6133477558128053
Energy: 0.6132018157858348
Energy: 0.6117836030110073
Energy: 0.6134994442866835
Energy: 0.6406739182982253
Energy: 0.6837059162247738
Energy: 0.5712833444289016
Energy: 0.5268379107445473
Energy: 0.5433434532422803
Energy: 0.5870943843858712
Energy: 0.5532606376169795
Energy: 0.640470717562249
Energy: 0.5217581372144393
Energy: 0.5264858492517007
Energy: 0.5827460013382497
Energy: 0.5869391045728329
Energy: 0.527081933725888
Energy: 0.6330620031611462
Energy: 0.5402476684350268
Energy: 0.538982955930562
Energy: 0.6339786402025778
Energy: 0.5418960465333234
Energy: 0.5397797041636889
Energy: 0.6398837413998805
Energy: 0.5983227510430533
Energy: 0.6402713690174914
Energy: 0.6135858194927146
Energy: 0.5736217067368745
Energy: 0.6133163504828443
Energy: 1.1278756767659464
Energy: 0.5563001833261542
Energy: 0.5549614241716979
Energy: 0.6117838687399705
Energy: 0.5714478713432808
Energy: 0.5730526600340986
Energy: 0.5868944676927658
Energy: 0.55694692461926
Energy: 0.5293036179424502
Energy: 0.5869323681269645
Energy: 0.6073922979626125
Energy: 0.5266753703803304
Energy: 0.5869289222921894
Energy: 0.5424075005411085
Energy: 0.5415891642635408
Energy: 0.5870052595445046
Energy: 0.5800786966895624
Energy: 0.5263166535064597
Energy: 0.6852127551933569
Energy: 0.6094685139640602
Energy: 0.6107237273606907
Energy: 0.5433340369723503
Energy: 0.609739619003177
Energy: 0.5567407885570996
Energy: 0.687084279308475
Energy: 0.6415638915227947
Energy: 0.641237220374214
Energy: 0.6409700696803241
Energy: 0.662799548335049
Energy: 0.641190319864723
Energy: 0.6837149389207378
Energy: 0.6089276350835133
Energy: 0.5694861245970948
Energy: 0.6088596877014374
Energy: 0.6081795777022075
Energy: 0.5531967433778013
Energy: 0.6896376942500875
Energy: 0.5242228893699238
Energy: 0.5214613994872183
Energy: 0.6896360843376785
Energy: 0.5921348537439148
Energy: 0.5244425050790597
Energy: 0.6363907411547067
Energy: 0.554178174830849
Energy: 0.5540147249533881
Energy: 0.6368453561996075
Energy: 0.5636105234059381
Energy: 0.5390731313402709
Energy: 0.6390686292584881
Energy: 0.5566999091939305
Energy: 0.573771572414841
Energy: 0.612135264697551
Energy: 0.5714477743049633
Energy: 0.6123322119014083
Energy: 0.6875441143863817
Energy: 0.5728452862774313
Energy: 0.5980952894044437
Energy: 0.6409081617148712
Energy: 0.5746907179968962
Energy: 0.6402395831483687
Energy: 0.5870247146905558
Energy: 0.5406921319469745
Energy: 0.5403785756272713
Energy: 0.5870548272608804
Energy: 0.5422671816271782
Energy: 0.5406355922387769

minimum gb energy = 0.5214613994872183 eV
minimum distance =  2.43666401731963 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.830677733085641
Energy: 2.105515511199929
Energy: 1.8432950546140967
Energy: 1.5254249964242752
Energy: 1.2635153669872043
Energy: 1.842701176522698
Energy: 1.4953384731482853
Energy: 0.973667164756582
Energy: 0.9263313026320933
Energy: 0.9270263434638756
Energy: 0.9706025105305925
Energy: 0.9032441403659732
Energy: 0.8181292501317154
Energy: 0.7888086373171923
Energy: 0.7822224371599236
Energy: 0.8226643982633194
Energy: 0.8028207131136503
Energy: 0.765423848302272
Energy: 0.8220749227832098
Energy: 0.7259156094118483
Energy: 0.749029649657153
Energy: 0.8219285864544399
Energy: 0.8011099321481749
Energy: 0.766186297373989
Energy: 0.9628335726943322
Energy: 1.0602987486807416
Energy: 0.9969736434924189
Energy: 0.9533875451411594
Energy: 1.1959575348881213
Energy: 0.9222039486347076
Energy: 1.4842168915420726
Energy: 1.2618737060466205
Energy: 1.2669652381777103
Energy: 1.4049966109668472
Energy: 1.3339954602607789
Energy: 1.102639596678432
Energy: 1.1029521099771822
Energy: 0.8874451111417145
Energy: 0.846835824941144
Energy: 0.9579735148820046
Energy: 0.8754046184048202
Energy: 0.8960998770248202
Energy: 0.9723155760536831
Energy: 0.9760246945289074
Energy: 0.9639411162058988
Energy: 0.9756588966951703
Energy: 0.9828264201197578
Energy: 0.9487971855539805
Energy: 1.0994692227418983
Energy: 0.9367275622856962
Energy: 0.8715950414093616
Energy: 0.8820742654684133
Energy: 0.9520193101702371
Energy: 0.8679696289182107
Energy: 1.513533771080534
Energy: 1.2889280014221456
Energy: 1.044815218799128
Energy: 1.2811567041931968
Energy: 1.2841230449354473
Energy: 1.1865476232181418
Energy: 1.5477255594858406
Energy: 1.1211589250626257
Energy: 1.024078338943347
Energy: 1.1799641472988944
Energy: 1.115399380238086
Energy: 1.0487106610419725
Energy: 1.4722103429865878
Energy: 1.0970899149571218
Energy: 1.0700363928531185
Energy: 1.4056519858392111
Energy: 1.1553410185680397
Energy: 1.1208086596868903
Energy: 1.0624113786778262
Energy: 1.1114240639149133
Energy: 1.0086318667826013
Energy: 1.0636190866759496
Energy: 1.138413419434735
Energy: 1.0822939036249468
Energy: 1.1139591070650179
Energy: 0.9373020275707299
Energy: 0.9416572746814525
Energy: 1.1155104961079647
Energy: 0.9277931931909984
Energy: 1.0445716638045268
Energy: 1.352689731746655
Energy: 1.3360384078383867
Energy: 1.3083025582801355
Energy: 1.3503246106392832
Energy: 1.3734980750061219
Energy: 1.6479486064790856
Energy: 1.5183882842151493
Energy: 1.109161599909923
Energy: 1.078491628233341
Energy: 1.0999800055308693
Energy: 1.1515089987618172
Energy: 0.9605557897027946
Energy: 1.3805496215900792
Energy: 1.4407623673456298
Energy: 1.2477800609654932
Energy: 1.202688585411792
Energy: 1.5573407029068909
Energy: 1.2343206496384407
Energy: 1.5241613918806227
Energy: 1.10917572919656
Energy: 1.0476234886792766
Energy: 1.1503229513318676
Energy: 1.1190297104044604
Energy: 1.0095380024578893
Energy: 1.447498041467178
Energy: 1.0400979604193312
Energy: 1.0379648337514777
Energy: 1.118515838959444
Energy: 1.060044268564023
Energy: 1.028354654347473
Energy: 1.172378948924332
Energy: 1.282652690111124
Energy: 1.1468478211023643
Energy: 1.0965872690397942
Energy: 1.330036761154004
Energy: 1.1404550833009561
Energy: 1.4547675818981016
Energy: 1.153153520245566
Energy: 1.0196991163651783
Energy: 1.113768615001712
Energy: 1.1825438462761122
Energy: 1.0426418244919435
Energy: 1.5105898000339157
Energy: 1.50416728305345
Energy: 1.5070362730679971
Energy: 1.5182564451409408
Energy: 1.530235700839201
Energy: 1.5807817644414557
Energy: 1.109768509189721
Energy: 0.9720157210186245
Energy: 0.9866468142716949
Energy: 1.1121109534217277
Energy: 0.9541133736949905
Energy: 0.989120341740896
Energy: 0.9285827518138358
Energy: 0.9448457704950417
Energy: 0.9018620464665142
Energy: 0.9284391974840679
Energy: 0.96441367605076
Energy: 0.9155125779528853
Energy: 1.126806787239292
Energy: 0.9325144117613363
Energy: 0.9228355934158476
Energy: 1.0991128486773494
Energy: 0.9911863544208944
Energy: 0.8861650796910387
Energy: 1.551435688921542
Energy: 1.1256049946967621
Energy: 0.8906697801220893
Energy: 1.178026212783853
Energy: 1.128285549425211
Energy: 1.0210986826461812

minimum gb energy = 0.7259156094118483 eV
minimum distance =  2.32791563714336 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.832666277191248
Energy: 1.9959470535156851
Energy: 1.9180720861391969
Energy: 1.3217713566165414
Energy: 1.449972122023475
Energy: 1.4174015428033322
Energy: 1.3667521858433247
Energy: 1.0463827859286488
Energy: 1.058714208708847
Energy: 1.0549579047837396
Energy: 1.1371917513878982
Energy: 0.9746035761682977
Energy: 1.0118773407132562
Energy: 0.9884009940635335
Energy: 0.9449268859111523
Energy: 1.0363030596249792
Energy: 0.9873469225262901
Energy: 0.9662856632009522
Energy: 1.0179952774119336
Energy: 0.7677214246964434
Energy: 0.9414735160615385
Energy: 1.0253691720120044
Energy: 0.9908016894182153
Energy: 0.9385753975640497
Energy: 1.1742855213134442
Energy: 1.2828670631381736
Energy: 1.3185636116457633
Energy: 1.1807508043629658
Energy: 1.402614588140589
Energy: 1.053049273156799
Energy: 1.5603906753385897
Energy: 1.4499239460216682
Energy: 1.4921356415429012
Energy: 1.4598544553457893
Energy: 1.4590038706131014
Energy: 1.3977593479518906
Energy: 1.3115593856503465
Energy: 1.1063457357227129
Energy: 1.0527646132591766
Energy: 1.118710030171538
Energy: 1.1151024256352347
Energy: 1.1015536203487852
Energy: 1.1816516474006613
Energy: 1.2119450621426
Energy: 1.2220585043595054
Energy: 1.1475038337117767
Energy: 1.2008675801521602
Energy: 0.8624632071982775
Energy: 1.357616511089703
Energy: 1.0922357021068367
Energy: 1.0467605843540013
Energy: 1.0518468371061576
Energy: 1.093555274166824
Energy: 1.0425639134499745
Energy: 1.392125512966976
Energy: 1.3072012276568747
Energy: 1.2564883354597078
Energy: 1.2741976454782031
Energy: 1.3051118150700878
Energy: 1.2874246845594493
Energy: 1.3720389504235673
Energy: 1.4282238973513006
Energy: 1.3224273671478228
Energy: 1.1530196317730377
Energy: 1.2816644349495456
Energy: 1.2315488413878697
Energy: 1.6198409695064673
Energy: 1.3235548651841316
Energy: 1.2299185814517508
Energy: 1.403911894441372
Energy: 1.0431511371944728
Energy: 1.276495913742583
Energy: 1.3796502663670562
Energy: 1.2772914011861036
Energy: 1.275522317097263
Energy: 1.381787955380107
Energy: 1.128015618314832
Energy: 1.2535650132574736
Energy: 1.2823374005202466
Energy: 1.140119564932152
Energy: 1.2067123806500655
Energy: 1.2727515704486674
Energy: 1.1307979413749454
Energy: 1.22389626327317
Energy: 1.2771009636735795
Energy: 1.253865001593107
Energy: 1.2534687117578556
Energy: 1.274008852792238
Energy: 1.2745028971995234
Energy: 1.2534757790716624
Energy: 1.5002117623416216
Energy: 1.226288195828561
Energy: 1.1166259549506339
Energy: 1.2095875612415705
Energy: 1.2666455518390667
Energy: 1.1251294279807715
Energy: 1.726862835286234
Energy: 1.4234224570893967
Energy: 1.6148596342199506
Energy: 1.4023044524813901
Energy: 1.334550337704818
Energy: 1.3437860747816666
Energy: 1.7730312725455704
Energy: 1.1878072508943045
Energy: 1.2534714599475059
Energy: 1.36671725012096
Energy: 1.1878520555806955
Energy: 1.1450026546224266
Energy: 1.0608994732125423
Energy: 0.9869258902170056
Energy: 0.9864387447060045
Energy: 1.0428946972248292
Energy: 1.0096140217651541
Energy: 0.9851752234976604
Energy: 1.1398301443069911
Energy: 1.0061987008228575
Energy: 0.9810542376185619
Energy: 1.047273344029891
Energy: 1.0557485147665642
Energy: 0.9940896639716745
Energy: 1.1404246725643075
Energy: 1.036984639813007
Energy: 1.0106570128579
Energy: 1.1405600503123154
Energy: 1.0531118733407974
Energy: 1.0188437408877036
Energy: 1.628129211702682
Energy: 1.6898323147844039
Energy: 1.7123289455541741
Energy: 1.589167054270171
Energy: 1.7039616602686818
Energy: 1.7131877832785252
Energy: 1.3140987792699481
Energy: 1.0357684276835226
Energy: 1.0228446811816356
Energy: 1.1734382138015962
Energy: 1.014120429334376
Energy: 1.0245779896244056
Energy: 1.1822784704183977
Energy: 1.2331707782219745
Energy: 1.189355457431105
Energy: 0.9091326234816491
Energy: 1.1876806340236081
Energy: 0.8773613875544073
Energy: 1.2651385079280164
Energy: 1.1018178081245007
Energy: 1.083473229552896
Energy: 1.1457223669219725
Energy: 1.0996342777456203
Energy: 1.0591253097404563
Energy: 1.3725960973040292
Energy: 1.2981984230313555
Energy: 1.3209620360456888
Energy: 1.1529172997588475
Energy: 1.301310082783755
Energy: 1.2419262887073406
Energy: 1.339589416843112
Energy: 1.300636046256279
Energy: 1.3329677911841393
Energy: 1.2743470403441628
Energy: 1.3412450529911046
Energy: 1.2715111090735
Energy: 1.7446132256999962
Energy: 1.2399672219985123
Energy: 1.1881388154688974
Energy: 1.3050846962144416
Energy: 1.3380749372956944
Energy: 1.1931626653862388
Energy: 1.5553413327594758
Energy: 1.444758327375811
Energy: 1.441658453324002
Energy: 1.558705464084166
Energy: 1.4365922852358692
Energy: 1.4450904622099094
Energy: 1.3417606038211207
Energy: 0.9997677732173321
Energy: 1.1644384293224026
Energy: 1.3419866604536492
Energy: 1.104322130950069
Energy: 1.244539048776374
Energy: 1.1482276000131817
Energy: 1.217469081252803
Energy: 1.24468768615171
Energy: 1.182219546231437
Energy: 1.27539584081929
Energy: 1.2412062286419019
Energy: 1.406668717610957
Energy: 1.205662378592008
Energy: 0.9408887778819944
Energy: 1.166229345378546
Energy: 1.050218622861859
Energy: 1.1478282000283977
Energy: 1.680012975408491
Energy: 1.1249955334179245
Energy: 1.198074888993295
Energy: 1.3458701772690052
Energy: 1.1247321713285456
Energy: 1.2442952877691777

minimum gb energy = 0.7677214246964434 eV
minimum distance =  2.26964132451305 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.2010834348412582
Energy: 1.5918101645628242
Energy: 1.5976446532005253
Energy: 1.2024188768391628
Energy: 2.0727038730506253
Energy: 1.5897615811220556
Energy: 1.4189029932685746
Energy: 1.0501903261079344
Energy: 1.0055073277463868
Energy: 1.0054408958982908
Energy: 1.0916668323160301
Energy: 1.0151587304089134
Energy: 0.9524727511226094
Energy: 0.8421530604281907
Energy: 0.8624093218236721
Energy: 0.9772236624367133
Energy: 0.8721684015647219
Energy: 0.8188148702822953
Energy: 0.9194136925761015
Energy: 0.8147202613109904
Energy: 0.8181381834432417
Energy: 0.9213321402510705
Energy: 0.8596759562586321
Energy: 0.8191667566658479
Energy: 1.0978382892149414
Energy: 1.1321140645306347
Energy: 1.0080675540169979
Energy: 1.091846570201449
Energy: 1.1516747495716648
Energy: 1.0093965500263316
Energy: 1.3327110627246224
Energy: 1.359584842125455
Energy: 1.2150478664103028
Energy: 1.1070246271312798
Energy: 1.3859930544563666
Energy: 1.219742534007131
Energy: 1.3879799685261465
Energy: 1.0621549318056493
Energy: 1.009097427121524
Energy: 1.0862811772068814
Energy: 1.0631577602403557
Energy: 0.9914636961840096
Energy: 1.2010904275273175
Energy: 1.3909224280650643
Energy: 0.9606327239637741
Energy: 0.9875251903690634
Energy: 1.3117479365454128
Energy: 0.8759818905398187
Energy: 0.9229099033402555
Energy: 1.0436521660207922
Energy: 1.042527433564506
Energy: 0.7921039256305734
Energy: 1.06147304329588
Energy: 1.0300274451567424
Energy: 1.4345790533726692
Energy: 1.2924736116674407
Energy: 1.2920986665122178
Energy: 1.1289280998244806
Energy: 1.2649071790115842
Energy: 1.2193225988651666
Energy: 1.4368858325728762
Energy: 1.0658347320940793
Energy: 1.0818672299052303
Energy: 1.1353395858393143
Energy: 1.0471680594026413
Energy: 1.024404114370328
Energy: 1.3314186927424565
Energy: 1.1822293008852003
Energy: 1.3969140949199415
Energy: 1.1001397894396208
Energy: 1.3710702398365266
Energy: 1.4364439346739284
Energy: 1.1004155715328738
Energy: 1.3389492669597276
Energy: 1.3974117004532391
Energy: 1.101289955486462
Energy: 1.395871850875151
Energy: 1.4385560610243853
Energy: 0.9032047720610692
Energy: 0.8279354901056901
Energy: 0.8606509715358074
Energy: 0.9024616970640423
Energy: 0.8248865961851782
Energy: 0.8702092312490141
Energy: 0.9306683368132281
Energy: 1.0107859406672495
Energy: 0.9235469905827385
Energy: 0.9111623481457718
Energy: 1.0370942251692157
Energy: 0.923334719318627
Energy: 0.8911141733514728
Energy: 0.8687879077067004
Energy: 1.0072555356061361
Energy: 0.8212493142866705
Energy: 1.1134286933884951
Energy: 0.8200469922948448
Energy: 1.6691983222289004
Energy: 1.1440783979574458
Energy: 1.2880983696317247
Energy: 1.2361505389330554
Energy: 1.0940603677373633
Energy: 1.2540076265258233
Energy: 1.440572288734107
Energy: 1.0978942867363297
Energy: 1.0084678223396897
Energy: 1.135472796253709
Energy: 1.0983468673295027
Energy: 1.005511683336393
Energy: 1.3249359275906298
Energy: 0.7927781661672788
Energy: 0.8446487731640262
Energy: 1.0947800923521138
Energy: 0.9293002628049857
Energy: 1.0603674869009494
Energy: 1.0958622598124286
Energy: 0.8514316699695201
Energy: 0.8518765215270799
Energy: 1.0970421653169868
Energy: 0.9291756195431329
Energy: 1.0965441083167453
Energy: 1.0835342646312887
Energy: 0.9945323856827119
Energy: 0.9933772123161989
Energy: 1.0840026246801413
Energy: 1.0082633046385918
Energy: 0.9926629217667544
Energy: 1.279880026113567
Energy: 1.2531441992437362
Energy: 1.2191085456442943
Energy: 1.2759379177917431
Energy: 1.2860118606556343
Energy: 1.2719761280444488
Energy: 1.3809685357422483
Energy: 1.0168166012629372
Energy: 1.0213501991084835
Energy: 1.073086596221701
Energy: 1.0973981940777469
Energy: 1.0143269186850756
Energy: 1.212951092691003
Energy: 1.2090009724645174
Energy: 1.5887513950504994
Energy: 1.6007950767557455
Energy: 1.1982739185224567
Energy: 1.6167977748475413
Energy: 1.9398381945496623
Energy: 1.0461399118416397
Energy: 1.0943817934687163
Energy: 1.3662543256040627
Energy: 1.0923839467885317
Energy: 0.9863938887774049
Energy: 0.9159983612751684
Energy: 0.8473322182358666
Energy: 0.8831170600051511
Energy: 0.9096963771874899
Energy: 0.9316417567251192
Energy: 0.8799083934986127
Energy: 0.917311583538496
Energy: 0.8375231428194324
Energy: 0.8202706768419415
Energy: 0.9096220843064903
Energy: 0.897564333807686
Energy: 0.8619218439019236
Energy: 1.0959420231830945
Energy: 1.0056065086317156
Energy: 1.0045183663869286
Energy: 1.0971220311927252
Energy: 1.1199882721653471
Energy: 0.9939957717323503
Energy: 1.3273927327737418
Energy: 1.3507526397172398
Energy: 1.2402584589623822
Energy: 1.3130052152481555
Energy: 1.23619949113771
Energy: 1.2632439105639879
Energy: 1.3901054438256142
Energy: 1.0119859122897066
Energy: 0.9920267580818884
Energy: 1.0840859842492896
Energy: 1.060763801748892
Energy: 0.992096165608966
Energy: 1.2003968390571922
Energy: 1.3442512303028125
Energy: 0.8975601433553249
Energy: 0.7931290691592728
Energy: 1.2387949523680113
Energy: 0.8592808142981422
Energy: 0.9418760717102235
Energy: 1.058666856686662
Energy: 1.0348322381635937
Energy: 1.0211034387663491
Energy: 1.08853056160551
Energy: 1.0318814616955696
Energy: 1.441743117566684
Energy: 1.1054919064124746
Energy: 1.0778356913887426
Energy: 1.1488047144754254
Energy: 1.1192219813208777
Energy: 1.1095730533234551
Energy: 1.4410859588066285
Energy: 1.1453252655156976
Energy: 1.1739550947469612
Energy: 1.1330667725403625
Energy: 1.0857186425604668
Energy: 1.1759269863663282
Energy: 1.3303446052236667
Energy: 1.1814351218752517
Energy: 1.1938147965425336
Energy: 1.0971319892609894
Energy: 1.2680983147931364
Energy: 1.0650456967773585
Energy: 1.237839227197787
Energy: 1.629441474861453
Energy: 1.6296751273848362
Energy: 1.237411645188735
Energy: 1.5633276146908002
Energy: 1.6325314428093733
Energy: 0.9031779347530576
Energy: 1.022627425242831
Energy: 1.017433373224161
Energy: 0.9250467941394123
Energy: 0.8247386241555342
Energy: 0.8585848155804783
Energy: 0.9502625441153161
Energy: 1.007568294662579
Energy: 0.8653863076849712
Energy: 0.9519859206885523
Energy: 0.8365177781119968
Energy: 0.9604212294450957
Energy: 0.9004291626465748
Energy: 0.9098458927877335
Energy: 0.7934924954046926
Energy: 0.8374676783022725
Energy: 0.8935713806027359
Energy: 0.7931867800254564
Energy: 1.4383625800196105
Energy: 1.0932734365745613
Energy: 1.0947965429028557
Energy: 1.1391627492560574
Energy: 1.0940845153557828
Energy: 1.2166819989698505
Energy: 1.3772174074877823
Energy: 1.0950731496764494
Energy: 1.110119567052318
Energy: 1.1360677110333803
Energy: 1.094347183330922
Energy: 1.0043293597967602
Energy: 1.3181343297421573
Energy: 0.8858041684453007
Energy: 0.8140790505369961
Energy: 1.0813149298231637
Energy: 0.9578253672106664
Energy: 0.9949421076206846
Energy: 1.095501387644228
Energy: 0.8387582725165027
Energy: 0.8575816548104841
Energy: 1.0934201222713509
Energy: 0.9954367473544516
Energy: 0.8739701599365267
Energy: 1.2465111647715423
Energy: 0.993413800512665
Energy: 0.9913130414020683
Energy: 1.2702873728317017
Energy: 0.9861168483636388
Energy: 0.9912982825906027
Energy: 1.279978436317699
Energy: 1.247157568482858
Energy: 1.2439064492469734
Energy: 1.276356820192068
Energy: 1.205269416351065
Energy: 1.2782145218333267
Energy: 1.3888179878262987
Energy: 1.0310864371780735
Energy: 1.016091815442785
Energy: 1.0624994951124975
Energy: 1.1301932929470992
Energy: 1.0142835274656554
Energy: 1.9781136378548103
Energy: 1.212876377182692
Energy: 1.6391180343546865
Energy: 1.3263128820030694
Energy: 1.1982574679507716
Energy: 1.629681698197407

minimum gb energy = 0.7921039256305734 eV
minimum distance =  2.37515954812524 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.4394004724751406
Energy: 0.9481810131770151
Energy: 0.9492550954166562
Energy: 1.3034149405359776
Energy: 1.8905496321144843
Energy: 1.3026572981641675
Energy: 0.996860914397385
Energy: 1.1992745274489303
Energy: 1.167199895785433
Energy: 0.9166306793749285
Energy: 1.1992367616144777
Energy: 1.176723809375542
Energy: 1.199138260954093
Energy: 0.9342420859779716
Energy: 0.9600955660010277
Energy: 0.9532268838471307
Energy: 0.9183534230272422
Energy: 0.9313413581187426
Energy: 0.9551373693655077
Energy: 0.8806372562955402
Energy: 0.8807034498095041
Energy: 0.9552168124048477
Energy: 0.8827031651323081
Energy: 0.8807735848590378
Energy: 0.9158299205269214
Energy: 0.8596135106823929
Energy: 0.8555403642386862
Energy: 0.9161618452244853
Energy: 0.8491452488967889
Energy: 0.8902995856858695
Energy: 0.9524876393350847
Energy: 1.1234092572018122
Energy: 0.8733707416754787
Energy: 0.9656398657563058
Energy: 1.1857353262045587
Energy: 0.9199590217167027
Energy: 0.9990279609269195
Energy: 1.1647982725836576
Energy: 1.1644679869847054
Energy: 0.9940786695921717
Energy: 1.1642955263060193
Energy: 1.1644567388987046

minimum gb energy = 0.8491452488967889 eV
minimum distance =  2.3098912500667 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.8294683229462025
Energy: 1.7451578778562142
Energy: 1.5596375026979876
Energy: 1.4728965658386175
Energy: 1.9377023126938242
Energy: 1.5472205674683408
Energy: 1.4834817294502562
Energy: 1.2739236701114456
Energy: 1.152738584515034
Energy: 1.057413643515243
Energy: 1.2676652659649377
Energy: 1.1124057519347548
Energy: 1.2847541968565026
Energy: 1.230001197991796
Energy: 1.2270127816986598
Energy: 1.282462954239745
Energy: 1.2238245540777641
Energy: 1.2325474317112397
Energy: 1.1394015202047412
Energy: 1.1230784388499726
Energy: 1.1142850074170303
Energy: 1.1125488327238169
Energy: 1.118832523660735
Energy: 1.1200066837424993
Energy: 1.0024427488287608
Energy: 0.9728110036964696
Energy: 0.9688551470582775
Energy: 1.0007969867412005
Energy: 0.9737503151786301
Energy: 0.9783287003058782
Energy: 1.2221327832688373
Energy: 1.1329659344295135
Energy: 1.1281718054011625
Energy: 1.168209307946367
Energy: 1.1496186638972663
Energy: 1.1021092718381205
Energy: 1.1857387270749051
Energy: 1.2016411968269447
Energy: 1.2237357964826268
Energy: 0.8873370917199448
Energy: 1.1019038613688403
Energy: 0.9293394815400144
Energy: 1.711294603374971
Energy: 1.5960402228849395
Energy: 1.4027273467365373
Energy: 1.4002142715562829
Energy: 1.6811832745649526
Energy: 1.4695118517054444
Energy: 1.537914275332829
Energy: 1.2733350939041232
Energy: 1.2384000560141388
Energy: 1.3084840498858323
Energy: 1.3213551490558102
Energy: 1.2183087870493858
Energy: 1.5254939118718043
Energy: 1.3797557993293779
Energy: 1.3034017940546243
Energy: 1.5282428175552847
Energy: 1.3641362765523743
Energy: 1.3850367847599248
Energy: 1.3003113933657162
Energy: 1.3206765124425464
Energy: 1.3235058426215247
Energy: 1.3024747333914315
Energy: 1.2881505310936316
Energy: 1.2324773003541356
Energy: 1.0579619609821485
Energy: 0.9716185345992225
Energy: 0.9709851654434538
Energy: 1.0852271271016831
Energy: 1.058353623777588
Energy: 1.0191941256504222
Energy: 0.9630000942631053
Energy: 1.00266363593343
Energy: 1.0017232922971089
Energy: 0.9804690012607492
Energy: 0.996330849366916
Energy: 0.9831821518973997
Energy: 1.237337549630972
Energy: 1.1009811882852725
Energy: 1.149396371819931
Energy: 1.0826212919096734
Energy: 1.0504884654162234
Energy: 1.1383507451302208
Energy: 1.4559985784338292
Energy: 1.1746622696306612
Energy: 1.2734116043948036
Energy: 1.1214864102636721
Energy: 1.2558079861441331
Energy: 1.1623636359020129
Energy: 1.4134234078406354
Energy: 1.0394979673649183
Energy: 1.0071578726698258
Energy: 1.4154377341394349
Energy: 1.091803200430308
Energy: 1.2830203222172416
Energy: 1.328361844465565
Energy: 1.4487875764264813
Energy: 1.3644784095629046
Energy: 1.330100074052874
Energy: 1.4389673364256537
Energy: 1.3239232133317458
Energy: 1.5403190209863684
Energy: 1.3235012629543539
Energy: 1.25294715401846
Energy: 1.4726298531174242
Energy: 1.21425851503341
Energy: 1.2688021083556182
Energy: 1.5103977995378899
Energy: 1.2534663255565064
Energy: 1.2530551197021917
Energy: 1.5007995395739915
Energy: 1.3313774633332212
Energy: 1.211793105349033
Energy: 1.4197653723814125
Energy: 1.2442156731442626
Energy: 1.227479876194182
Energy: 1.2275212990494728
Energy: 1.229963600996796
Energy: 1.1689137860376126
Energy: 0.9647213216164453
Energy: 0.9918602142575723
Energy: 0.9237443622461716
Energy: 0.9663385003684155
Energy: 0.9930061055831334
Energy: 0.9049464396310796
Energy: 0.9575559777772981
Energy: 1.142238171850869
Energy: 1.048813929331718
Energy: 1.0881303721169455
Energy: 1.189236771961264
Energy: 0.9759398380699811
Energy: 0.9789272103323683
Energy: 0.9695457552955835
Energy: 0.9947555646606345
Energy: 0.9811587439913093
Energy: 0.977149022499448
Energy: 0.9080262211175831
Energy: 1.2630307390275364
Energy: 1.2878690145804423
Energy: 1.2740759675927926
Energy: 1.2663576700208496
Energy: 1.28801236673827
Energy: 1.25705412828281
Energy: 1.3404568148275597
Energy: 1.3018967958782182
Energy: 1.3244907659795213
Energy: 1.2095051409975506
Energy: 1.3979988110506167
Energy: 1.2549957938151217
Energy: 1.6626876514583668
Energy: 1.287720146504786
Energy: 1.419946289672293
Energy: 1.529997944510682
Energy: 1.370189250224223
Energy: 1.3935834220303143
Energy: 1.686052134575917
Energy: 1.2803759021438614
Energy: 1.3775388249839666
Energy: 1.533460514457288
Energy: 1.310635383597518
Energy: 1.3881491472744845
Energy: 1.2050474818987675
Energy: 1.1843141877349823
Energy: 1.128702208339691
Energy: 1.2570283360806567
Energy: 1.2742856891608296
Energy: 1.0756714192814034
Energy: 1.1019969236926455
Energy: 1.2630407215338233
Energy: 1.2096323329289238
Energy: 1.0891737497374054
Energy: 1.2044341228836053
Energy: 1.0994395981683258
Energy: 1.0057065728697026
Energy: 1.0831757315472224
Energy: 1.082694919840557
Energy: 1.0072904541760566
Energy: 1.081927926526168
Energy: 0.9907073603425259
Energy: 1.2336170073291648
Energy: 1.2331396285811325
Energy: 1.226533494379931
Energy: 1.001342251377848
Energy: 1.2003915250874777
Energy: 1.1266820845967327
Energy: 1.0665757299469325
Energy: 0.99389086983528
Energy: 0.9903536573207817
Energy: 0.975146371204078
Energy: 1.0706369856268847
Energy: 0.9263754008717485
Energy: 1.5831275730225947
Energy: 1.2943759859968105
Energy: 1.3483159282931811
Energy: 1.5164007584463954
Energy: 1.2849566190072441
Energy: 1.3129882386471794
Energy: 1.599605088638851
Energy: 1.3051046712628482
Energy: 1.275464670124897
Energy: 1.4926070230867032
Energy: 1.2689044711374338
Energy: 1.2735400313063063
Energy: 1.5190067941165384
Energy: 1.3119368284821937
Energy: 1.2940022750588822
Energy: 1.5317926570117897
Energy: 1.4210761286948044
Energy: 1.2334035728462163
Energy: 1.3084053409312708
Energy: 1.3610337365876635
Energy: 1.3052040782973948
Energy: 1.3085709514249724
Energy: 1.3641704472967568
Energy: 1.412273885872574
Energy: 1.1779667144412287
Energy: 0.9204380083093653
Energy: 0.9220841114763506
Energy: 1.179958689927259
Energy: 0.9434388162760127
Energy: 0.9518845844275858
Energy: 1.4016141354673033
Energy: 1.0976088924597978
Energy: 1.10025385003836
Energy: 1.2740014272711078
Energy: 1.2101385115148826
Energy: 1.1785662955102334
Energy: 1.110979551064099
Energy: 0.998467108197041
Energy: 0.9819995498258534
Energy: 1.0112447697524847
Energy: 0.9963627164975885
Energy: 0.9955952582391117
Energy: 1.3870357465583125
Energy: 1.0722727464863262
Energy: 1.0742691831174218
Energy: 1.25843043502413
Energy: 1.141297162739749
Energy: 1.0729763193294102
Energy: 1.3268015566031295
Energy: 1.0669129756665987
Energy: 1.1166946559351287
Energy: 1.3456418173086018
Energy: 1.0418403054678758
Energy: 1.0731958156966694
Energy: 1.4670268434769314
Energy: 1.4234372248360343
Energy: 1.3795583339867024
Energy: 1.4518765200815131
Energy: 1.3818979773904398
Energy: 1.2953897618609078
Energy: 1.590247846155637
Energy: 1.3551412461880419
Energy: 1.3565798176198467
Energy: 1.554240994847237
Energy: 1.440825282600073
Energy: 1.4628508895680985
Energy: 1.456784529310909
Energy: 1.1557875855871809
Energy: 1.1681820490065051
Energy: 1.44011309380749
Energy: 1.168002607386379
Energy: 1.193339488093646
Energy: 1.6139018061800905
Energy: 1.3041210697313548
Energy: 1.2148302237377049
Energy: 1.3044077491187889
Energy: 1.3106563070160049
Energy: 1.2474060091405694
Energy: 1.0857849998417255
Energy: 1.0107005430912381
Energy: 1.0311469417861852
Energy: 0.9546484997448693
Energy: 1.0518290081917856
Energy: 0.9594633250173401
Energy: 1.2750528819621505
Energy: 1.0322102590807152
Energy: 1.007353996273909
Energy: 1.1871238656572005
Energy: 1.007813385406635
Energy: 1.0084302837243504
Energy: 1.0473498439783429
Energy: 0.9243683636788388
Energy: 0.9210310761963374
Energy: 0.9639850814403553
Energy: 0.93368607395258
Energy: 0.919989440643385
Energy: 1.2141799173514534
Energy: 1.1757508136230301
Energy: 1.2345159295218417
Energy: 1.2165081839588565
Energy: 1.1130909124718213
Energy: 1.2322899541120604
Energy: 1.3589765656736466
Energy: 1.268872540009751
Energy: 1.2722989801303428
Energy: 1.3556093213375955
Energy: 1.3096975884198403
Energy: 1.2720897518473473
Energy: 1.484628985896556
Energy: 1.4321793635512428
Energy: 1.3289646488526612
Energy: 1.1796669358616512
Energy: 1.403575497909041
Energy: 1.288490333402314

minimum gb energy = 0.8873370917199448 eV
minimum distance =  2.31292381892405 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.1618671825902815
Energy: 1.6418059080561245
Energy: 1.5744267593181742
Energy: 1.598766685182992
Energy: 1.6621611792821152
Energy: 1.6947337728582896
Energy: 1.3612754143790204
Energy: 1.1567954554666116
Energy: 1.2003769714768004
Energy: 1.1557203870057646
Energy: 1.397721461510456
Energy: 1.1290785723524135
Energy: 1.490448746829987
Energy: 1.1129376475376276
Energy: 1.1129271510779497
Energy: 1.2781796129730392
Energy: 1.1868820777557996
Energy: 1.228190383694124
Energy: 1.0760332172388933
Energy: 1.0150829822967262
Energy: 1.1357929483192248
Energy: 1.0721107125824496
Energy: 1.087635619334226
Energy: 1.080298421775644
Energy: 1.2927251798359847
Energy: 1.1466699017116588
Energy: 1.1587444633484996
Energy: 1.2828082476951652
Energy: 1.3622918507850974
Energy: 1.2151068988961786
Energy: 1.5217061320583127
Energy: 1.3859630575355983
Energy: 1.458827087061811
Energy: 1.3635678786459162
Energy: 1.5584502697712603
Energy: 1.1648918102832073
Energy: 1.5322993744157094
Energy: 1.3737393464729855
Energy: 1.209898830232628
Energy: 1.3318229209027466
Energy: 1.394405442566656
Energy: 1.2737333829393283
Energy: 1.805253358888454
Energy: 1.8728098033625327
Energy: 1.4144398412154433
Energy: 1.44380013362369
Energy: 1.4604624632958974
Energy: 1.3899983205211017
Energy: 1.5075890921208421
Energy: 1.3822992909354588
Energy: 1.1652913525347826
Energy: 1.3007900912193815
Energy: 1.3509817387724745
Energy: 1.1566028161113215
Energy: 1.5122914710747288
Energy: 1.531822347909029
Energy: 1.4660141730673348
Energy: 1.5128490347276649
Energy: 1.2164322188135015
Energy: 1.4526344031401837
Energy: 1.3741167201981404
Energy: 1.2814771123441224
Energy: 1.290752136824884
Energy: 1.3448578819116292
Energy: 1.1419340675376553
Energy: 1.3041154196081919
Energy: 1.1723695018667133
Energy: 1.1310004318457214
Energy: 1.1347813177626203
Energy: 1.1493628959241389
Energy: 1.2411600706526336
Energy: 1.1079707765372417
Energy: 1.2990277576254126
Energy: 1.222145161797071
Energy: 1.1068668805630932
Energy: 1.1106243778316613
Energy: 1.145106168844071
Energy: 1.0681694668449688
Energy: 1.2344660625317756
Energy: 1.2648975336991055
Energy: 1.2498665255849424
Energy: 1.082597568479814
Energy: 1.2991302882819642
Energy: 1.2810919439749977
Energy: 1.5040939119604524
Energy: 1.4313089286933973
Energy: 1.4295485087439097
Energy: 1.1580702210251637
Energy: 1.4682011861231263
Energy: 1.4988882397993357
Energy: 1.3858790380817838
Energy: 1.292065035766157
Energy: 1.2036186717824957
Energy: 1.3821189305821484
Energy: 1.2881257910658128
Energy: 1.161681375994782
Energy: 1.3958371412667234
Energy: 1.3861554897786421
Energy: 1.3263690667656953
Energy: 1.2778028874164595
Energy: 1.3864730136096135
Energy: 1.3322607274294975
Energy: 1.5709139143720217
Energy: 1.4294946889360456
Energy: 1.4068456129633793
Energy: 1.5690388645283295
Energy: 1.435989556120511
Energy: 1.2912227333450383
Energy: 1.7149689806151995
Energy: 1.382561730519381
Energy: 1.2855748404553162
Energy: 1.5577244051978114
Energy: 1.4787923866506287
Energy: 1.2864893740882686
Energy: 1.7147746359189957
Energy: 1.4731908901000137
Energy: 1.3049471881058656
Energy: 1.5892198844363794
Energy: 1.4681914361984254
Energy: 1.3016750568213376
Energy: 1.315132146136517
Energy: 1.3009979969053735
Energy: 1.280113453538509
Energy: 1.267652168076641
Energy: 1.2799068780346219
Energy: 1.1577346914267426
Energy: 1.1400973677102237
Energy: 1.1638028278352817
Energy: 1.167452219451437
Energy: 1.1349126635034337
Energy: 1.2785991437229884
Energy: 1.079932342019898
Energy: 1.126620129468971
Energy: 1.1012034296664592
Energy: 1.1122378246435018
Energy: 1.1092426175717593
Energy: 1.1308749503087272
Energy: 1.1089525111136505
Energy: 1.2934060014459934
Energy: 1.4359671580818278
Energy: 1.4826324912984044
Energy: 1.2862523859541066
Energy: 1.4885709830779335
Energy: 1.3446413179701626
Energy: 1.547068396148345
Energy: 1.2803298580565905
Energy: 1.242858649166662
Energy: 1.2696228169450217
Energy: 1.4195263334622752
Energy: 1.2420303016190084
Energy: 1.5605560222557753
Energy: 1.2799842353750643
Energy: 1.2974077951245897
Energy: 1.5334317187959154
Energy: 1.2983041259809978
Energy: 1.3479138990366792
Energy: 1.5370048352667933
Energy: 1.3482471246992787
Energy: 1.4645970503518781
Energy: 1.5314556407365367
Energy: 1.2833539710634916
Energy: 1.1653113966093642
Energy: 1.5085215056717836
Energy: 1.2248105663366262
Energy: 1.3003163013695227
Energy: 1.2893272156777622
Energy: 1.4656834869249349
Energy: 1.303818772830328
Energy: 1.4249704259896867
Energy: 1.5875726971145785
Energy: 1.315431978704484
Energy: 1.4348136316883304
Energy: 1.5226140966762503
Energy: 1.309645811721881
Energy: 1.2272255537391625
Energy: 1.1071690579030715
Energy: 1.0880076274860353
Energy: 1.1454865802003482
Energy: 1.0726235729853881
Energy: 1.0665049601350847
Energy: 1.4735307421362853
Energy: 1.4378192667448162
Energy: 1.280882369234361
Energy: 1.171401720951986
Energy: 1.48855913756111
Energy: 1.1611965140889173
Energy: 1.2544547989859804
Energy: 1.1096579744772805
Energy: 1.1782145252793095
Energy: 1.1746006043527293
Energy: 1.1387094667154778
Energy: 1.0963701256011606
Energy: 1.611943047613456
Energy: 1.2587918158955058
Energy: 1.1832031868870188
Energy: 1.5988136553811216
Energy: 1.2935769897140192
Energy: 1.171928076676462
Energy: 1.5141227344516952
Energy: 1.2272113328099998
Energy: 1.1654875094576622
Energy: 1.5141777408738213
Energy: 1.2597046405605876
Energy: 1.1496594648254201
Energy: 1.328264815180446
Energy: 1.2359804718305583
Energy: 1.2758389637103997
Energy: 1.3315043229474128
Energy: 1.4449899938931385
Energy: 1.167983016189349
Energy: 1.3613812493491437
Energy: 1.3862966159930694
Energy: 1.2426146807819631
Energy: 1.3722554126447044
Energy: 1.3813186506403536
Energy: 1.380142934837978
Energy: 1.639656689573699
Energy: 1.2184790342075589
Energy: 1.250552775984165
Energy: 1.2800213952084054
Energy: 1.3449539985669066
Energy: 1.2136344228938056
Energy: 1.8490824536785087
Energy: 1.510092821771951
Energy: 1.5749381371445685
Energy: 1.301714366692242
Energy: 1.5304599610665415
Energy: 1.6462876459652158

minimum gb energy = 1.0150829822967262 eV
minimum distance =  2.29398409566075 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.9715117043757004
Energy: 1.74131848526239
Energy: 1.58320293889786
Energy: 1.467710957651141
Energy: 1.835574052495348
Energy: 1.4525575670476245
Energy: 1.4175421479309815
Energy: 1.3253582240868242
Energy: 1.2608767303723603
Energy: 1.106788433692636
Energy: 1.3674284898340567
Energy: 1.1308403672851794
Energy: 1.2702939112800529
Energy: 1.0329093033936543
Energy: 1.0751261804228038
Energy: 1.260000848892907
Energy: 1.1248730818290253
Energy: 1.1824165723090416
Energy: 1.085502305552718
Energy: 1.021430983186088
Energy: 1.0856970802740797
Energy: 1.0803515034855
Energy: 1.1936355126316696
Energy: 1.1292242767360567
Energy: 0.9514919318763277
Energy: 0.925030065531705
Energy: 0.9231432983889375
Energy: 0.951373555753981
Energy: 0.8897529832623027
Energy: 0.9263341434328063
Energy: 1.140261772894092
Energy: 0.9446651930632308
Energy: 0.9475365142904946
Energy: 1.085398850340484
Energy: 0.952139634914822
Energy: 0.9264579051330142
Energy: 1.199863250953284
Energy: 1.0178838197170859
Energy: 0.9454547496009151
Energy: 1.0096329743864902
Energy: 1.0662690358663878
Energy: 1.0636545483111908
Energy: 1.6277352363341075
Energy: 1.264330580769485
Energy: 1.2817023775901646
Energy: 1.2747990703422662
Energy: 1.2616512627015444
Energy: 1.3481413856770783
Energy: 1.5042717575939302
Energy: 1.0330492688669923
Energy: 1.1605042588875556
Energy: 1.4407165606802574
Energy: 1.1883580264746487
Energy: 1.270070899676059
Energy: 1.504909771828354
Energy: 1.4176264560213414
Energy: 1.4253642945784766
Energy: 1.5069571118128464
Energy: 1.5002072470841927
Energy: 1.4197784707755974
Energy: 1.5386951271256475
Energy: 1.2952368943699277
Energy: 1.2470700219845718
Energy: 1.5108998775528835
Energy: 1.3332820928461235
Energy: 1.256677568267231
Energy: 1.3761991635211561
Energy: 1.1999211585292062
Energy: 1.198990318087119
Energy: 1.3990993410506185
Energy: 1.214110714549779
Energy: 1.198441931254745
Energy: 1.4136385339574749
Energy: 1.2124220674678312
Energy: 1.1598436297763302
Energy: 1.2803808079236645
Energy: 1.1791061960991414
Energy: 1.162209218545272
Energy: 1.0089812707931003
Energy: 1.0421893968517628
Energy: 0.9827857165851472
Energy: 0.9643060932655606
Energy: 1.0117899607118845
Energy: 0.9517673856370589
Energy: 0.984798591587113
Energy: 1.1550617767974978
Energy: 1.1187346887120355
Energy: 0.9553839962190781
Energy: 1.102919220021047
Energy: 1.000563344857693
Energy: 0.9608466494287863
Energy: 0.9818533332484045
Energy: 0.9554016693204125
Energy: 0.9586315057131424
Energy: 0.9882628725821184
Energy: 0.9811605732192802
Energy: 1.0216670403622523
Energy: 1.2038689806478091
Energy: 0.9889758867204891
Energy: 1.0230036100875632
Energy: 1.2234560143367166
Energy: 1.0341006407165105
Energy: 1.3060304482182261
Energy: 1.1072075989948655
Energy: 0.9973055323344225
Energy: 1.1523174650401584
Energy: 1.2263454764443504
Energy: 1.02572348537267
Energy: 1.5584396219391767
Energy: 1.2501894052305051
Energy: 1.3027925841611776
Energy: 1.4341507079277258
Energy: 1.3024041415056948
Energy: 1.2324717750400997
Energy: 1.5647649916009199
Energy: 1.2920190848302684
Energy: 1.302861222194165
Energy: 1.5364659908148777
Energy: 1.42575317426432
Energy: 1.320554230749226
Energy: 1.5092270551773213
Energy: 1.304896443924251
Energy: 1.2551356582869349
Energy: 1.3213210123592067
Energy: 1.167921375096493
Energy: 1.2428154348983314
Energy: 1.2591861228589143
Energy: 1.4451203378621367
Energy: 1.3380925572647646
Energy: 1.549653540553775
Energy: 1.3773101053791634
Energy: 1.2703975345497918
Energy: 1.2948251274015392
Energy: 1.0488041990226995
Energy: 1.0698597947827684
Energy: 1.2263084016016015
Energy: 1.0022151702455675
Energy: 1.0797842072403927
Energy: 1.1769460320523395
Energy: 1.2079289108002222
Energy: 1.165242418881276
Energy: 1.0667405984685592
Energy: 1.226928844591428
Energy: 1.119144000725592
Energy: 1.1968209118331754
Energy: 1.0685841681296375
Energy: 1.0160685109322094
Energy: 1.2139706597808615
Energy: 1.0563146903739724
Energy: 0.9863291831476299
Energy: 1.0594343889950306
Energy: 0.9336626646944776
Energy: 0.9653510997111777
Energy: 1.0193381817316214
Energy: 0.9272803101517728
Energy: 0.9693652367174891
Energy: 1.0636999135883642
Energy: 0.9744428471297422
Energy: 0.963114235844855
Energy: 1.075672033012609
Energy: 1.011810547404533
Energy: 0.9633662401222521
Energy: 1.1692050969257102
Energy: 0.9116808827177951
Energy: 1.1693550584026204
Energy: 1.1706294426609682
Energy: 0.9149712977092639
Energy: 1.2265828291743923
Energy: 1.3779385510342579
Energy: 1.3677303578976936
Energy: 1.3485370717780423
Energy: 1.3737079003180297
Energy: 1.2873369838716864
Energy: 1.3503435152721381
Energy: 1.5728797948326574
Energy: 1.2932068290888086
Energy: 1.366252185828041
Energy: 1.1834673285205755
Energy: 1.2629590394190984
Energy: 1.2469427805764204
Energy: 1.8392248008977716
Energy: 1.4081290073611548
Energy: 1.448947718388004
Energy: 1.4599366012257673
Energy: 1.401026930726766
Energy: 1.3063734221841423

minimum gb energy = 0.8897529832623027 eV
minimum distance =  2.34094269612116 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.7512198533331644
Energy: 1.4539971425185771
Energy: 1.4567449345281944
Energy: 1.7495712558264496
Energy: 1.5466842062549253
Energy: 1.5495600128747211
Energy: 1.5947309990102512
Energy: 1.1549592959862478
Energy: 1.1953361591726681
Energy: 1.1973041767080603
Energy: 1.1762404558666653
Energy: 1.2124127032487275
Energy: 1.4440721812746824
Energy: 1.0265888298733674
Energy: 0.9929880937244489
Energy: 1.279143506210002
Energy: 1.0773078881661842
Energy: 0.9907078511416381
Energy: 1.1056980771387603
Energy: 0.9943869240138186
Energy: 0.9828576832538474
Energy: 1.1010614163679298
Energy: 1.0432443499150634
Energy: 1.0558131870846366
Energy: 1.1601385650240925
Energy: 0.9539033701324895
Energy: 0.9660198246904458
Energy: 1.1120548099257574
Energy: 1.0501243668623772
Energy: 0.956765351322144
Energy: 1.3832497533215227
Energy: 0.9761640427656709
Energy: 1.0417948670267954
Energy: 1.3094596974055537
Energy: 1.0287451807061958
Energy: 1.0195853304359057
Energy: 1.5452722254062277
Energy: 1.0316459867287922
Energy: 1.0323913079615847
Energy: 1.0669703667794617
Energy: 1.123396925756759
Energy: 1.0872793757232004
Energy: 1.5120790403694018
Energy: 1.3115139564880747
Energy: 1.3495915596401657
Energy: 1.5231520401542529
Energy: 1.3306769034433212
Energy: 1.3076821344520195
Energy: 1.4762688378739843
Energy: 1.110323006245123
Energy: 1.0965448009585472
Energy: 1.4758172466056363
Energy: 1.1029235051454493
Energy: 1.1396062640935871
Energy: 1.4070090650561273
Energy: 1.2537098122356185
Energy: 1.2535820546428627
Energy: 1.3260429095591817
Energy: 1.3236341741404554
Energy: 1.2533312987452019
Energy: 1.5452045841276776
Energy: 1.0912860000231246
Energy: 1.1663198359919424
Energy: 1.4544889055881
Energy: 1.1168576192868942
Energy: 1.3163477016012952
Energy: 1.6030040954336764
Energy: 1.156141546061336
Energy: 1.154112794867548
Energy: 1.1802604911008097
Energy: 1.1588171235366165
Energy: 1.1544642797100062
Energy: 1.675498988088618
Energy: 1.1591292640540962
Energy: 1.157219729686202
Energy: 1.1831486831385205
Energy: 1.2557380524159247
Energy: 1.1550328187119767
Energy: 1.2521256734400918
Energy: 1.0893079739974845
Energy: 1.0231386590277354
Energy: 1.2183461855873585
Energy: 1.0656055733160388
Energy: 1.0558047073492145
Energy: 1.5514183129153611
Energy: 1.2498887992179848
Energy: 1.0958587289051
Energy: 1.2595817512571383
Energy: 1.2490019720972803
Energy: 1.0634349138345984
Energy: 1.1801920687359064
Energy: 0.9711445507934846
Energy: 1.1079800532406434
Energy: 1.1819646350960404
Energy: 1.0170444397623988
Energy: 1.1159932251289844
Energy: 1.1613486109072781
Energy: 1.1822630184696978
Energy: 0.993457812598766
Energy: 1.169876388820322
Energy: 1.2413197060941699
Energy: 1.0212724874050805
Energy: 1.2087744732839936
Energy: 1.0816362395884074
Energy: 1.0266962031690197
Energy: 1.1890707522978423
Energy: 1.0430726431986594
Energy: 0.9977322115321966
Energy: 1.2176117216913278
Energy: 1.1059039851821941
Energy: 1.0956347948722596
Energy: 0.9466469505420413
Energy: 1.093597494003101
Energy: 1.0962873639697828
Energy: 1.5052632988561092
Energy: 1.1800269560645744
Energy: 1.0866847762002378
Energy: 1.4960652798568048
Energy: 1.3293742601554424
Energy: 1.0875007784554898
Energy: 1.4749020113736306
Energy: 1.084431532242533
Energy: 1.085945170340013
Energy: 1.475634959993297
Energy: 1.0573801659457696
Energy: 1.2384654369394266
Energy: 1.5912169386066695
Energy: 1.3694409495302584
Energy: 1.3048313730711114
Energy: 1.391456256371366
Energy: 1.3687883169673607
Energy: 1.2628710525011686
Energy: 1.683417670643522
Energy: 1.2375696062300934
Energy: 1.3363242111113869
Energy: 1.552487570503818
Energy: 1.2313225065732223
Energy: 1.3343150135170931
Energy: 1.678334096921268
Energy: 1.3029040926530293
Energy: 1.4654008615421998
Energy: 1.503810307363057
Energy: 1.4619095917645737
Energy: 1.4552921018072866

minimum gb energy = 0.9466469505420413 eV
minimum distance =  2.30933920117232 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.8081528551514896
Energy: 1.1550133158448872
Energy: 1.155002926532413
Energy: 1.1758951367511108
Energy: 1.438303476923628
Energy: 1.0476561672332447
Energy: 1.326418204554865
Energy: 0.9992236916826248
Energy: 0.9836576037003564
Energy: 0.9735066900286724
Energy: 1.0020070336903761
Energy: 1.0900097202335206
Energy: 1.3718994595664433
Energy: 0.9608913003567673
Energy: 0.9609326069241864
Energy: 1.2342433195123068
Energy: 1.1311926802383365
Energy: 0.9655630841182534
Energy: 0.9867031755969813
Energy: 0.9605385604033382
Energy: 0.9603878604379459
Energy: 0.9909507474362859
Energy: 0.9028605354051208
Energy: 1.0319244975560293
Energy: 1.0284731703582561
Energy: 0.8615093113441744
Energy: 0.8637638287423587
Energy: 1.027646725447543
Energy: 0.8638540042512362
Energy: 0.8831740957084039
Energy: 1.2169518542815607
Energy: 0.9923290519322403
Energy: 0.850938063614531
Energy: 0.8523174493545073
Energy: 0.9093167161099822
Energy: 0.8321082273900822
Energy: 1.2117264639544456
Energy: 0.8840653568916319
Energy: 0.9168483886405971
Energy: 0.989981534378458
Energy: 0.8924514229430958
Energy: 0.9231397051530695
Energy: 1.1898872249926238
Energy: 0.8826049012811743
Energy: 0.8956483011652476
Energy: 0.8437950219524974
Energy: 0.9919344288947772
Energy: 0.8925396674973957
Energy: 0.918416562340485
Energy: 0.9674821681481635
Energy: 0.8351246999569875
Energy: 0.872828061805678
Energy: 0.9643740962946302
Energy: 0.8844909925061827
Energy: 0.8815758775138469
Energy: 0.8903541078754841
Energy: 0.9443215100534297
Energy: 0.883649500950377
Energy: 0.8907425539150794
Energy: 0.9388855367726129
Energy: 1.2220736166380664
Energy: 1.008201026393441
Energy: 0.8293118116086676
Energy: 0.9188960730337883
Energy: 0.9693215296877689
Energy: 0.8657535959494713
Energy: 1.268863576184776
Energy: 1.0044568709829949
Energy: 1.0832149179892214
Energy: 1.203121908947386
Energy: 1.0851298228090538
Energy: 1.0805920143245495
Energy: 1.300491305293494
Energy: 1.017398187372916
Energy: 1.0179724771291525
Energy: 1.1808031764751608
Energy: 1.1498285002340252
Energy: 0.9892403412274257
Energy: 1.2529045035142339
Energy: 0.9550334285688641
Energy: 0.9568970157128114
Energy: 1.2498034245863374
Energy: 0.9903177024022741
Energy: 1.0129292671045402
Energy: 1.5146981209111492
Energy: 1.0403496393974354
Energy: 1.2573206180853227
Energy: 1.4591140249676837
Energy: 1.0606042999915808
Energy: 1.219906562468068
Energy: 1.2967782536573158
Energy: 0.9573971335680527
Energy: 1.0780764790812887
Energy: 1.1975068402931779
Energy: 0.9635048177629759
Energy: 1.0080596922063931
Energy: 1.2761736173741163
Energy: 1.044595625438797
Energy: 1.118350530270552
Energy: 1.3138267235294994
Energy: 1.240644472809086
Energy: 1.1187835834701765

minimum gb energy = 0.8293118116086676 eV
minimum distance =  2.37319348440329 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.9149999715461166
Energy: 1.0518399434010683
Energy: 0.9764521009285927
Energy: 1.1136519869185013
Energy: 1.259421229535196
Energy: 0.9769507969480696
Energy: 1.3724647171373305
Energy: 1.0182056273400568
Energy: 1.0095568034889664
Energy: 1.1104852945388886
Energy: 1.2125203857879998
Energy: 0.9815128820378521
Energy: 1.2418791284911723
Energy: 0.9090052054228857
Energy: 0.9588263063323923
Energy: 1.148718865542006
Energy: 1.1354073914689893
Energy: 0.9609245579797103
Energy: 0.9861574814712503
Energy: 0.9805105403700571
Energy: 0.9327492540831456
Energy: 0.9925239282872761
Energy: 1.1774584110848971
Energy: 0.9091933408175155
Energy: 1.1030967484460434
Energy: 0.8409002870314003
Energy: 0.8349162824740454
Energy: 1.1044596765434116
Energy: 0.8724888576144634
Energy: 0.8377060136803947
Energy: 1.0560167105803446
Energy: 0.8824657406240851
Energy: 0.9521009874569413
Energy: 0.9173461355980367
Energy: 0.8497095497244915
Energy: 0.8608693585669676
Energy: 1.122634336241197
Energy: 0.8611664436364516
Energy: 0.9008746025836123
Energy: 0.9706905121254298
Energy: 0.8561456810705813
Energy: 0.9033661112135531
Energy: 1.1351788315530595
Energy: 0.7963945118418584
Energy: 0.8048556428961489
Energy: 0.9536787384494751
Energy: 0.78281896587582
Energy: 0.7829996781149283
Energy: 0.8175522246385466
Energy: 0.8951015519821331
Energy: 0.8760606452132663
Energy: 0.8179002378689038
Energy: 0.9962016556081574
Energy: 0.8540293053054873
Energy: 0.8049251968836125
Energy: 0.7979208507197956
Energy: 0.7690819955895034
Energy: 0.7993058909024133
Energy: 0.7935604343855684
Energy: 0.8225088023307865
Energy: 1.1534995640030468
Energy: 0.8485481626431643
Energy: 0.7459082015337621
Energy: 0.7941130745437694
Energy: 0.7977940247184543
Energy: 0.7454100452640037
Energy: 1.0440358461817583
Energy: 0.79492194959228
Energy: 0.8249561225231199
Energy: 1.0363621286357625
Energy: 0.8080280062280328
Energy: 0.8214724652354641
Energy: 1.083576889430621
Energy: 0.8837192956035178
Energy: 0.8532490302725148
Energy: 1.0968600775432125
Energy: 0.8848586597996858
Energy: 0.8535977670622416
Energy: 0.8405377166439288
Energy: 0.8135211102578849
Energy: 0.9009692235576581
Energy: 0.8461052991757327
Energy: 1.04788936626284
Energy: 0.9012124214513859
Energy: 0.8579134342758786
Energy: 0.8637630793962964
Energy: 0.8279020551726769
Energy: 0.8593550929592537
Energy: 0.853844183897966
Energy: 0.8363373235213165
Energy: 1.2055031745937788
Energy: 1.0873219052721863
Energy: 0.8327751621546036
Energy: 0.8333253185641818
Energy: 1.0472012041878842
Energy: 0.837315110715812
Energy: 1.1411806198877978
Energy: 1.0259080318750267
Energy: 1.0396205304674424
Energy: 1.1777403045727712
Energy: 1.0123797755409127
Energy: 0.9033021947315366
Energy: 1.1124341104822986
Energy: 0.9840266766290395
Energy: 0.9717259052486429
Energy: 1.1188366498348836
Energy: 0.9820960546038042
Energy: 0.9248214858022149
Energy: 1.183489129744014
Energy: 0.9600895787550963
Energy: 1.0092808999816683
Energy: 1.1608248513064159
Energy: 1.2771109013253032
Energy: 0.9868671848536629
Energy: 1.3511236031042941
Energy: 0.9565064043221043
Energy: 0.9380834580695494
Energy: 1.3519415805912578
Energy: 0.9372889283447138
Energy: 1.0618401717864345
Energy: 1.2770284985153886
Energy: 0.9524740419894434
Energy: 0.983216728432179
Energy: 1.134226541621149
Energy: 0.949392872342435
Energy: 0.9881251214064896
Energy: 1.1551791938922533
Energy: 0.9917982974219987
Energy: 1.0259065997948011
Energy: 1.2334201081640954
Energy: 1.2473038838836203
Energy: 0.9559979880303718
Energy: 1.1606579591928645
Energy: 0.9689719699438614
Energy: 0.9645779940866614
Energy: 1.1620057780014712
Energy: 1.2120795141401668
Energy: 1.0816302752575224
Energy: 1.249446641116484
Energy: 1.162636521625457
Energy: 1.0119655724925882
Energy: 0.9989116729163391
Energy: 1.1532974312086284
Energy: 1.0129573163368988
Energy: 0.9869796713747556
Energy: 0.9167035747737599
Energy: 0.9588527944355715
Energy: 0.9870908232594628
Energy: 0.9174362144348114
Energy: 0.9586157335088124
Energy: 1.020291423306456
Energy: 0.8333385744299923
Energy: 0.834480717360749
Energy: 0.9750966390347565
Energy: 1.0148067052362004
Energy: 1.0227309217413398
Energy: 1.0422956081022436
Energy: 1.0121448024732187
Energy: 0.96415456828162
Energy: 0.9171980011484714
Energy: 1.0122515469091242
Energy: 0.923563403968533
Energy: 1.0794861694341786
Energy: 0.8519730740625364
Energy: 0.8439968413669711
Energy: 1.0793123648573981
Energy: 0.8598663758818749
Energy: 0.9023551710423027
Energy: 1.2165541981890968
Energy: 0.7881766882744544
Energy: 0.7993101208615297
Energy: 0.8720580565600494
Energy: 0.8510669903614989
Energy: 0.800374665954414
Energy: 0.8031424009845389
Energy: 0.8505726833940846
Energy: 0.8639744756956999
Energy: 0.8032577262651464
Energy: 0.8435162967202043
Energy: 0.856645224758024
Energy: 0.8089112484103389
Energy: 0.7248894325493793
Energy: 0.7976894478635163
Energy: 0.8102901078989329
Energy: 0.9673020152189871
Energy: 0.8548966773103752
Energy: 1.1211990801166192
Energy: 0.7787776016472479
Energy: 0.8211535948938022
Energy: 0.9119142738361213
Energy: 0.8551826346900744
Energy: 0.8260668435562457
Energy: 1.0374178042303854
Energy: 0.8182034085794643
Energy: 0.8187605594295554
Energy: 1.030262415296991
Energy: 0.8198190552959475
Energy: 0.8070622200984677
Energy: 1.5491018503806844
Energy: 0.8933799532366165
Energy: 0.9034649548807809
Energy: 0.8546905556083901
Energy: 0.8271379172395829
Energy: 0.9044545685132741
Energy: 0.9334027628117693
Energy: 0.7546935667493856
Energy: 0.7645004929897005
Energy: 0.8570326786103517
Energy: 0.7822222265581223
Energy: 0.8246565845829215
Energy: 0.8580210660935094
Energy: 0.9085451838945748
Energy: 0.9091767599606326
Energy: 0.8602329228032175
Energy: 1.0016819776888939
Energy: 0.8804660512452341
Energy: 1.2062496827027551
Energy: 0.8329134534346145
Energy: 0.8389544512691116
Energy: 1.0137539743827748
Energy: 1.0488808789384747
Energy: 0.8675213219973517
Energy: 1.1379805526909221
Energy: 1.0307280870657844
Energy: 0.9784830290172309
Energy: 1.1475657790799416
Energy: 1.0285799921547114
Energy: 1.0398810043998028
Energy: 1.1038169825710575
Energy: 1.116201965502156
Energy: 0.9774049106339531
Energy: 0.939941551591314
Energy: 1.2277728210078125
Energy: 0.9497654173148332
Energy: 1.1883899608009727
Energy: 0.9644848515792375
Energy: 1.00914568957846
Energy: 1.1894304319652742
Energy: 0.9612541984000836
Energy: 0.9096207330819305
Energy: 1.2395517133173903
Energy: 0.9379580716649338
Energy: 1.1535711731304006
Energy: 1.241507692183219
Energy: 0.9374794755458983
Energy: 1.0317245285217633
Energy: 1.3010470170721586
Energy: 1.167302162091141
Energy: 0.9931767970196539
Energy: 1.2026786694872484
Energy: 1.1932077607602047
Energy: 1.0133723632879932
Energy: 1.1566859480251799
Energy: 0.9919631893617552
Energy: 0.9401033352556242
Energy: 1.1623216702180796
Energy: 1.0688874411139992
Energy: 1.0793821789386806

minimum gb energy = 0.7248894325493793 eV
minimum distance =  2.28532897852634 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7983551435800864
Energy: 0.9779038238455267
Energy: 0.9170835081944626
Energy: 0.8701354345045036
Energy: 1.3014170709074373
Energy: 0.9189440591836575
Energy: 1.258428469973507
Energy: 0.9799532416137194
Energy: 0.9484599024791468
Energy: 1.0515233156757107
Energy: 1.1231716203604034
Energy: 0.9575147274188895
Energy: 1.1871372450913342
Energy: 0.8536518753178614
Energy: 0.8577095231825534
Energy: 1.1868024956436507
Energy: 1.0506201170202525
Energy: 0.9144094791522034
Energy: 1.002462324890174
Energy: 0.8538399322692622
Energy: 0.8946860960113971
Energy: 0.9921000748939105
Energy: 1.0886331727121061
Energy: 0.9027819840306734
Energy: 0.9972511366954396
Energy: 0.8007295897044459
Energy: 0.804053812468236
Energy: 1.0017012553298759
Energy: 0.8933229421089827
Energy: 0.8079908650735247
Energy: 1.090485452948268
Energy: 0.855667087752842
Energy: 0.8988729509032284
Energy: 0.823332442296821
Energy: 0.8419589153499362
Energy: 0.8483340061173036
Energy: 1.0521926897168097
Energy: 0.8194672945460967
Energy: 0.8270951516206589
Energy: 1.0383771793093803
Energy: 0.8164909071147528
Energy: 0.8869670690862272
Energy: 1.052660466951667
Energy: 0.8331150482285502
Energy: 0.8305213229489758
Energy: 0.9564039928488348
Energy: 0.8229395875529518
Energy: 0.846724765982511
Energy: 0.7524161007639001
Energy: 0.8767386169459659
Energy: 0.7904025144248485
Energy: 0.7541660590757059
Energy: 1.0141776217204914
Energy: 0.7961997373051569
Energy: 0.772370903069764
Energy: 0.7342635538677527
Energy: 0.6942224197428115
Energy: 0.7562405842401643
Energy: 0.750189265616947
Energy: 0.7151078826520725
Energy: 1.016985666159695
Energy: 0.738303901532291
Energy: 0.8045094990815832
Energy: 0.6967191699738877
Energy: 0.7407725115211633
Energy: 0.8244282215636934
Energy: 1.042140651612227
Energy: 0.7382277079799369
Energy: 0.762769879533232
Energy: 0.9412932394313873
Energy: 0.7364265278051741
Energy: 0.7972412243655654
Energy: 1.0151025330457837
Energy: 0.7993638574669176
Energy: 0.7033972764392196
Energy: 0.9631507260562158
Energy: 0.8100686071088297
Energy: 0.734111248962577
Energy: 0.737058256434306
Energy: 0.7124895131650972
Energy: 0.8153752394809698
Energy: 0.7393822306507846
Energy: 0.9337092770764743
Energy: 0.7274261578092711
Energy: 0.7253423166587193
Energy: 0.8624958674602989
Energy: 0.8277806484762841
Energy: 0.7246974596037778
Energy: 0.7624696627649797
Energy: 0.8206404200087509
Energy: 1.0219762731550188
Energy: 0.8158032392174847
Energy: 0.8268447404370634
Energy: 0.9363293718292409
Energy: 0.768969191504206
Energy: 0.706607122370239
Energy: 1.0911599040845932
Energy: 0.7586064634945111
Energy: 0.8090660449224524
Energy: 1.0254838990605033
Energy: 0.7598499792321753
Energy: 0.7936175014182856
Energy: 0.8750669913138674
Energy: 0.8228521240154031
Energy: 0.796669703846245
Energy: 1.0099143413325977
Energy: 0.8526587754639597
Energy: 0.8015111661476197
Energy: 0.883497795989811
Energy: 1.0016749315785407
Energy: 0.8826658466072834
Energy: 0.8850681891243143
Energy: 1.0215904348215896
Energy: 0.8115654318007977
Energy: 1.098490721225108
Energy: 0.8404311872481076
Energy: 0.8437055546833939
Energy: 1.0346238604081919
Energy: 0.8400987223292713
Energy: 0.9805014178693139
Energy: 1.1715965269833217
Energy: 0.9864272682868171
Energy: 0.9827134332129502
Energy: 0.9332517043092214
Energy: 0.9755299540435526
Energy: 0.807814441329932
Energy: 1.0511041059833721
Energy: 1.011895055344547
Energy: 0.8734868533484501
Energy: 1.0734779360618243
Energy: 0.9787223422345471
Energy: 0.8938305362417526
Energy: 1.0989769741476434
Energy: 0.9092315316568266
Energy: 0.9180528507135244
Energy: 1.098983418785581
Energy: 0.9205527305361151
Energy: 0.9401469722594097
Energy: 1.179110509150018
Energy: 1.1773244907006601
Energy: 0.9553364098015346
Energy: 1.140130652504611
Energy: 1.1574192688473954
Energy: 0.9487703183622912
Energy: 1.345067159454547
Energy: 0.8933930686768317
Energy: 0.9808708441214768
Energy: 1.3452036137365064
Energy: 0.898801462816765
Energy: 1.0491978871810648
Energy: 1.2741462743448435
Energy: 0.9173538298292688
Energy: 0.9925360429498844
Energy: 1.1684470406539096
Energy: 1.0563960526466298
Energy: 0.939022911238478
Energy: 0.9742245279359091
Energy: 1.0057465203866673
Energy: 0.9315245784995144
Energy: 0.8540971155652323
Energy: 1.2015173152140621
Energy: 0.9353255574305351

minimum gb energy = 0.6942224197428115 eV
minimum distance =  2.3152367858092 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.7064253293108285
Energy: 0.9330504675979425
Energy: 0.8001670081639259
Energy: 0.7284759429096441
Energy: 1.011248785049602
Energy: 0.7532197595386201
Energy: 1.0414628212164776
Energy: 0.8439293138900502
Energy: 0.8100140915981494
Energy: 0.8183383335870438
Energy: 0.9573188571017902
Energy: 0.8121957457029371
Energy: 1.0505868521917805
Energy: 0.7067740343478407
Energy: 0.7343162392301071
Energy: 0.9100170031592505
Energy: 0.8681461276693883
Energy: 0.7237692323373749
Energy: 0.8474995096078248
Energy: 0.734561914969363
Energy: 0.7365175880349706
Energy: 0.8473318611990405
Energy: 0.8573518326875407
Energy: 0.759901856934734
Energy: 0.8739429855066828
Energy: 0.7348609765217827
Energy: 0.6927805506435118
Energy: 0.8804536728765013
Energy: 0.7689851541754028
Energy: 0.6946685237698095
Energy: 0.9313389313524272
Energy: 0.7244465083376377
Energy: 0.7383549429787695
Energy: 0.6892294539694545
Energy: 0.7172158366332843
Energy: 0.7030897226515089
Energy: 0.8998437748195092
Energy: 0.709717001109357
Energy: 0.7325262500867401
Energy: 0.901290821385727
Energy: 0.7929879790574033
Energy: 0.7414939949777225
Energy: 0.9743644390639448
Energy: 0.6877805638987701
Energy: 0.7036859409461841
Energy: 0.9774959690607512
Energy: 0.6881026031209465
Energy: 0.7037447846754716
Energy: 0.6646546359592972
Energy: 0.6687736887979853
Energy: 0.6960568201347477
Energy: 0.6650281063230709
Energy: 0.8689308471545599
Energy: 0.6566264052087482
Energy: 0.7399432236060987
Energy: 0.6015299916029919
Energy: 0.6031253505594556
Energy: 0.7444415580450591
Energy: 0.6020526914185452
Energy: 0.6089309434524862
Energy: 0.8764026766582025
Energy: 0.6204115255128351
Energy: 0.6620798150817355
Energy: 0.7258447494468084
Energy: 0.6199340530507982
Energy: 0.6875324841204136
Energy: 0.8656953768336207
Energy: 0.6290986384538743
Energy: 0.6328073890776008
Energy: 0.8539663682103137
Energy: 0.6289663638053611
Energy: 0.5804476796908385
Energy: 0.8632054968684849
Energy: 0.679463634647992
Energy: 0.6842601486204722
Energy: 0.8330618916952899
Energy: 0.6796487943707823
Energy: 0.6895321601163548
Energy: 0.6113337088418455
Energy: 0.8588876342769896
Energy: 0.6208129824050352
Energy: 0.613145613698464
Energy: 0.8362541421024546
Energy: 0.6034403661953984
Energy: 0.6106183053119371
Energy: 0.63157965908676
Energy: 0.6276778076661267
Energy: 0.6102552157645368
Energy: 0.5935854372798985
Energy: 0.6292288539654639
Energy: 0.8521324712303392
Energy: 0.5955352777811446
Energy: 0.6707182963368495
Energy: 0.8440596050374052
Energy: 0.5956994835383935
Energy: 0.6901655472448806
Energy: 0.8917873235893132
Energy: 0.6012450724094969
Energy: 0.6017992143266395
Energy: 0.8319204002218639
Energy: 0.596345580556488
Energy: 0.6270548979241722
Energy: 0.781794091642522
Energy: 0.6623691424154434
Energy: 0.6016177638344379
Energy: 0.7861546865848447
Energy: 0.6238851936804908
Energy: 0.5668799129315745
Energy: 0.610945423190089
Energy: 0.880385661606512
Energy: 0.6098073076447964
Energy: 0.6053003408552826
Energy: 0.861010953487016
Energy: 0.6038167165261267
Energy: 0.8559760867762806
Energy: 0.6340248610946676
Energy: 0.6476867430653882
Energy: 0.792128259252127
Energy: 0.6338860763916438
Energy: 0.672635191618265
Energy: 0.8874487276871145
Energy: 0.615213748269506
Energy: 0.6152963407643776
Energy: 0.8769212979404714
Energy: 0.6063939484005652
Energy: 0.5663727719500182
Energy: 0.8234591400544082
Energy: 0.6029564836253304
Energy: 0.6577580851003985
Energy: 0.8426785540139646
Energy: 0.603622316292798
Energy: 0.6570502556203905
Energy: 0.6328362535157455
Energy: 0.5979661360870747
Energy: 0.6356066784135465
Energy: 0.6331983206108351
Energy: 0.6979858699792854
Energy: 0.6049198789436292
Energy: 0.6286078686380245
Energy: 0.8548079815831103
Energy: 0.6535053829955869
Energy: 0.6233033312834912
Energy: 0.8484147839055752
Energy: 0.6205829590755914
Energy: 0.9252321968889792
Energy: 0.6844653341780316
Energy: 0.6967107194498885
Energy: 0.8776173459532595
Energy: 0.6843484149911306
Energy: 0.6948378317778877
Energy: 0.8881183692108554
Energy: 0.6629260353257004
Energy: 0.6631838203473027
Energy: 0.8448254396605768
Energy: 0.6671468420349158
Energy: 0.6018965733555742
Energy: 0.8826251153872972
Energy: 0.6543843067792309
Energy: 0.6769107718452926
Energy: 0.7361984961265376
Energy: 0.6548114662332927
Energy: 0.6967111304127072
Energy: 0.7592458076850941
Energy: 0.6687819084394016
Energy: 0.6377490002389213
Energy: 0.8557818120672726
Energy: 0.6548273446835461
Energy: 0.5924829450587842
Energy: 0.7790136047185853
Energy: 0.6970257277344954
Energy: 0.7137920823599133
Energy: 0.780355130417659
Energy: 0.8835045343612666
Energy: 0.7307385156620443
Energy: 0.9797196314088624
Energy: 0.6981971619702763
Energy: 0.7199172603012426
Energy: 0.9825849686577258
Energy: 0.6977137699459632
Energy: 0.7153064230954913
Energy: 0.9821499843374457
Energy: 0.7421934138831391
Energy: 0.8333758721191333
Energy: 0.8191671000607772
Energy: 0.901784827478728
Energy: 0.8594555592308344
Energy: 0.9191102131149635
Energy: 0.7925567011104676
Energy: 0.7689535225916361
Energy: 0.7004304636370549
Energy: 0.837768376542017
Energy: 0.7318517908116074
Energy: 0.8989046500653567
Energy: 0.7816002988512529
Energy: 0.7665570505202896
Energy: 0.9507839083767372
Energy: 0.8392398003838785
Energy: 0.8338851774873353
Energy: 0.983922527630827
Energy: 0.7590631500698481
Energy: 0.7617723318388401
Energy: 0.9919792140190848
Energy: 0.9424241961701573
Energy: 0.811673219722493
Energy: 1.0467983458146402
Energy: 0.7253967789975393
Energy: 0.7594886793153719
Energy: 1.0562582794426727
Energy: 0.9518558331330589
Energy: 0.7522100280934342
Energy: 1.0417631442395614
Energy: 0.8432012560517996
Energy: 0.7794062897297361
Energy: 0.9802544186231136
Energy: 0.9597733428996506
Energy: 0.8310249137652643

minimum gb energy = 0.5663727719500182 eV
minimum distance =  2.31188903776125 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.007071337173188917
Energy: 0.04781414142243184
Energy: 0.008027255469533659
Energy: 0.009837756948190337
Energy: 0.1501502800690963
Energy: 0.008175362381587071
Energy: 0.049227328158158765
Energy: 0.008117644845374895
Energy: 0.008319375507578063
Energy: 0.04931391564442707
Energy: 0.010601040870241642
Energy: 0.00816899119651006
Energy: 0.047583879193145245
Energy: 0.007768683449171319
Energy: 0.00788674745350781
Energy: 0.047075595709247076
Energy: 0.007851364314142954
Energy: 0.15255685717507794
Energy: 0.011466605174726183
Energy: 0.00783484962237904
Energy: 0.15284217997234556
Energy: 0.009563031753304379
Energy: 0.007695003388669727
Energy: 0.04864126555247739
Energy: 0.04818874067188298
Energy: 0.04758765253500793
Energy: 0.047118472949634164
Energy: 0.04891064557963185
Energy: 0.047232651926127474
Energy: 0.04855233501899469
Energy: 0.008499682032892657
Energy: 0.008183173495452114
Energy: 0.007452374326130918
Energy: 0.010147490699704165
Energy: 0.008045436239045686
Energy: 0.007784440203350539
Energy: 0.049607346027455285
Energy: 0.008427458835509782
Energy: 0.008412880374290527
Energy: 0.0471781171232005
Energy: 0.008076410476095653
Energy: 0.008191312658969423
Energy: 0.046986850735248616
Energy: 0.00769897371212847
Energy: 0.007951149099948686
Energy: 0.04709832437446905
Energy: 0.007720396342669845
Energy: 0.15235237809498117
Energy: 0.009060708544707264
Energy: 0.008030444764421397
Energy: 0.1523737193325755
Energy: 0.010934558822166669
Energy: 0.007905007561982839
Energy: 0.05021451690712101
Energy: 0.14659096972765323
Energy: 0.0473732646711102
Energy: 0.04759878862548447
Energy: 0.1467433125275517
Energy: 0.04727240287413393
Energy: 0.0473779573248095

minimum gb energy = 0.007071337173188917 eV
minimum distance =  2.55529194257288 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.79937605377795
Energy: 1.2175839694513069
Energy: 0.9933821351401537
Energy: 0.7719984090414862
Energy: 1.0987779496718666
Energy: 0.8028816660289226
Energy: 0.9865656511720668
Energy: 0.8394490128352747
Energy: 0.7791326794459487
Energy: 0.9255879580786338
Energy: 0.7753310019818815
Energy: 0.7206146486008966
Energy: 0.9822198784287958
Energy: 0.8621278672599698
Energy: 0.8713865747633188
Energy: 0.9830640585780924
Energy: 0.8816185359301671
Energy: 0.9237784919184523
Energy: 0.8299053889319533
Energy: 0.6712325281945153
Energy: 0.8358541814061328
Energy: 0.968643057745538
Energy: 0.7629361420935961
Energy: 0.8662497737592484
Energy: 0.8714688453206269
Energy: 0.7435855545144141
Energy: 0.8060416261224994
Energy: 0.8817167583566594
Energy: 0.7753036278309586
Energy: 0.8213185526402759
Energy: 0.7136760486696175
Energy: 0.940779330366994
Energy: 0.7621135920240227
Energy: 0.7659248433733855
Energy: 0.9974892065599261
Energy: 0.7383370295492948
Energy: 0.780316091515383
Energy: 0.7800557979756721
Energy: 0.8034037253482347
Energy: 0.7843103898331105
Energy: 0.7170268780797846
Energy: 0.9043734651403088
Energy: 0.8647504005667517
Energy: 0.7329595808930305
Energy: 0.7501903037859465
Energy: 0.8650810058588628
Energy: 0.6769084845565162
Energy: 0.7500634075279259
Energy: 0.8342434909141844
Energy: 0.751983405468239
Energy: 0.7038975908601808
Energy: 0.8833258613965156
Energy: 0.8078168823858379
Energy: 0.7562794053187004
Energy: 0.7389306856915119
Energy: 0.7367465105503661
Energy: 0.7363817922468547
Energy: 0.7834432340232688
Energy: 0.7194085490323612
Energy: 0.7415449963270033
Energy: 0.6912369243730209
Energy: 0.7986134610824793
Energy: 0.7422799227117217
Energy: 0.724771672702491
Energy: 0.7897997472414584
Energy: 0.7147301710310459
Energy: 0.6642858014011024
Energy: 0.6987505734334095
Energy: 0.7755841034256058
Energy: 0.6543600683269895
Energy: 0.6901268673207491
Energy: 0.663983292061399
Energy: 0.6903170347769477
Energy: 0.6819761656921647
Energy: 0.7282746181738683
Energy: 0.7128243474058589
Energy: 0.68660533348149
Energy: 0.6823292650808266
Energy: 0.6613617533263004
Energy: 0.7919926120280859
Energy: 0.7468054466827312
Energy: 0.6980743168533113
Energy: 0.7395206357076552
Energy: 0.7437748096230782
Energy: 0.732971921509817
Energy: 0.6656688591362031
Energy: 0.6626885103037813
Energy: 0.6825283231884659
Energy: 0.6178486658154427
Energy: 0.6627259220931406
Energy: 0.6680260536055497
Energy: 0.7407800536930735
Energy: 0.7243767705661048
Energy: 0.7191169742375624
Energy: 0.7908455836273741
Energy: 0.725069337654335
Energy: 0.6497713515861845
Energy: 0.6814428901993048
Energy: 0.7229110398902259
Energy: 0.6278256622003087
Energy: 0.6770847747481832
Energy: 0.6104356089428374
Energy: 0.6509490345095325
Energy: 0.6557855443101074
Energy: 0.6681763322710657
Energy: 0.6433571204603395
Energy: 0.6555470123464181
Energy: 0.6013083413293281
Energy: 0.6682702940990699
Energy: 0.80024990234198
Energy: 0.849367546761383
Energy: 0.666239698842866
Energy: 0.7862962791094129
Energy: 0.7032953997159725
Energy: 0.7174560432281957
Energy: 0.6301149991771935
Energy: 0.6290511162814844
Energy: 0.7189945795300003
Energy: 0.6020154297016354
Energy: 0.6291829013199383
Energy: 0.6531618817481698
Energy: 0.7053035438236263
Energy: 0.7040967412583724
Energy: 0.7922357659978504
Energy: 0.757147266800787
Energy: 0.704522296846172
Energy: 0.661945385777841
Energy: 0.6876314756548126
Energy: 0.7009729985831942
Energy: 0.6782719553194343
Energy: 0.7258093889743972
Energy: 0.6452775297082856
Energy: 0.6454902240706215
Energy: 0.6960711080901621
Energy: 0.7587064902025107
Energy: 0.6604759376312657
Energy: 0.6661590741128067
Energy: 0.862061608718985
Energy: 0.6722623610246466
Energy: 0.7119752610182335
Energy: 0.6623429844733384
Energy: 0.6808079282449202
Energy: 0.7120577512635831
Energy: 0.6996311968217227
Energy: 0.7463378504565571
Energy: 0.688325350712108
Energy: 0.6883989963468016
Energy: 0.7274518414518123
Energy: 0.6678870576116958
Energy: 0.6580398283769793
Energy: 0.6609005559901596
Energy: 0.7432966463094122
Energy: 0.7143499636286493
Energy: 0.8008666523231639
Energy: 0.7591774555097505
Energy: 0.7504619873897006
Energy: 0.7210198817881486
Energy: 0.724515542404158
Energy: 0.7405618904092706
Energy: 0.7213874686890406
Energy: 0.778888196252984
Energy: 0.7391723685684054
Energy: 0.7318426900729182
Energy: 0.8342043496044876
Energy: 0.791693687714052
Energy: 0.7320071631527748
Energy: 0.8336562977467046
Energy: 0.7958740577007294
Energy: 0.6968596662285838
Energy: 0.8067036878476744
Energy: 0.7846107656130837
Energy: 0.7439565874530231
Energy: 0.8312594444026961
Energy: 0.7212893633115989
Energy: 0.8284087033832526
Energy: 0.7578999177863274
Energy: 0.7573723508021019
Energy: 0.8308287294240272
Energy: 0.7704685990885021
Energy: 0.8504915983101978
Energy: 0.9949870489521144
Energy: 0.7297740686064236
Energy: 0.7564019310765843
Energy: 0.9965117029336648
Energy: 0.7357196249286752
Energy: 0.7581555246741217
Energy: 1.0325766791631572
Energy: 0.819242598022482
Energy: 0.7647261397878041
Energy: 1.0344558974143667
Energy: 0.707927632978649
Energy: 0.7141354348835378
Energy: 0.8089664084486028
Energy: 0.8616938998621675
Energy: 0.8524194851234878
Energy: 0.8561071365798518
Energy: 0.8891845718321082
Energy: 0.8399027495764021

minimum gb energy = 0.6013083413293281 eV
minimum distance =  2.25789402713688 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.9173528099228875
Energy: 1.3237782166509526
Energy: 1.237356686175701
Energy: 0.9137165631413893
Energy: 1.4481943591388242
Energy: 1.2046870917428267
Energy: 1.1826092847309966
Energy: 0.9404360113675222
Energy: 0.9870694114284462
Energy: 1.1255181336581346
Energy: 0.9346151146251174
Energy: 0.9942136563158432
Energy: 1.1901942890596844
Energy: 1.0464280591310677
Energy: 1.1444323888360408
Energy: 1.1195907567145587
Energy: 1.0796774926516695
Energy: 1.1247093393763772
Energy: 1.1625653483408023
Energy: 1.1466712487455344
Energy: 1.150259422179064
Energy: 0.923362085143186
Energy: 1.1076330371729333
Energy: 1.1291599291965186
Energy: 1.1370353490062788
Energy: 0.9286630045466254
Energy: 0.9750766437435409
Energy: 1.1655141279109278
Energy: 0.9304544431598185
Energy: 0.9538929811435906
Energy: 0.8792035410205338
Energy: 1.123860190528338
Energy: 1.1145247936870915
Energy: 1.056377979728181
Energy: 1.1692488917985493
Energy: 1.0434396437180657
Energy: 0.9276624141143699
Energy: 1.0008667532798854
Energy: 1.0011514032498114
Energy: 0.8870560622136251
Energy: 1.075270243383482
Energy: 0.9935379225304563
Energy: 1.0150645233016242
Energy: 0.9003062394398649
Energy: 0.8828248242581603
Energy: 0.9420266039942494
Energy: 0.8981584971641953
Energy: 0.933263043799991
Energy: 0.9927806100300061
Energy: 1.0141912377618199
Energy: 0.9557433017829805
Energy: 0.9424054592318483
Energy: 1.0124648108039245
Energy: 0.9495905397622999
Energy: 0.8672240017094549
Energy: 0.8559778286713317
Energy: 0.8517901716308579
Energy: 0.8698013306296256
Energy: 0.8304858222756272
Energy: 0.8577628473998233
Energy: 0.8641576626948725
Energy: 0.9330505439874235
Energy: 0.8971387312672184
Energy: 0.8969079628751371
Energy: 0.9807866458270164
Energy: 0.8973490981660963
Energy: 0.8296616577396514
Energy: 0.8442493355595186
Energy: 0.8848372186454331
Energy: 0.8234995657281814
Energy: 0.8466191247462684
Energy: 0.8862665355781044
Energy: 0.8546880024677938
Energy: 0.882359082696307
Energy: 0.8797903407166257
Energy: 0.8529355895923499
Energy: 0.8849080092867732
Energy: 0.8860694633293232
Energy: 0.8309729797687226
Energy: 0.9523748646676641
Energy: 0.9497900903250671
Energy: 0.8745157246976353
Energy: 0.9657736946205481
Energy: 0.8857553511677106
Energy: 0.8666771334684006
Energy: 0.8081588221356043
Energy: 0.7951833865172951
Energy: 0.8690328515599645
Energy: 0.8043625005760349
Energy: 0.7983410959570645
Energy: 0.9311986008047711
Energy: 1.0627105056048047
Energy: 0.8999239061496864
Energy: 0.8291194159938354
Energy: 0.9631256880106991
Energy: 0.8958376581652084
Energy: 0.8818448141907452
Energy: 0.8786484005789699
Energy: 0.8710153913281516
Energy: 0.8800966655550942
Energy: 0.8603196163175669
Energy: 0.8888977364969406
Energy: 0.8715872869012828
Energy: 0.9343456896369006
Energy: 0.9949015468586423
Energy: 0.8571078805305041
Energy: 0.9356649158783601
Energy: 1.034857569868793
Energy: 0.8530538836620273
Energy: 1.0660714999639411
Energy: 0.9970940772827998
Energy: 0.9045322015539028
Energy: 1.054051259673017
Energy: 0.905932718995162
Energy: 0.9550467233088248
Energy: 0.8904469650110047
Energy: 0.8897999751077
Energy: 0.9659824386500039
Energy: 0.9101649582795701
Energy: 0.8928722271463156
Energy: 1.1985397419697623
Energy: 0.996390816305781
Energy: 1.001483789635231
Energy: 0.9489360792319141
Energy: 0.9750254591075083
Energy: 0.985287243700707
Energy: 1.1071882744051207
Energy: 0.9190117679473332
Energy: 0.9923137040179704
Energy: 1.0966386154428982
Energy: 0.9551112122620443
Energy: 0.9728514908499077
Energy: 1.1866989568590305
Energy: 0.9851576844528358
Energy: 0.9943548128787264
Energy: 1.1151744892607962
Energy: 1.0534118577448728
Energy: 0.9705062260690477

minimum gb energy = 0.7951833865172951 eV
minimum distance =  2.29930387809293 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.8320390332787337
Energy: 1.4541617645786127
Energy: 1.4891649844135535
Energy: 1.189807856012452
Energy: 1.593528609058552
Energy: 1.159636293966542
Energy: 1.2027610832069597
Energy: 1.0551713158996752
Energy: 1.1481580126486357
Energy: 1.1777831276637603
Energy: 1.0445560418207673
Energy: 1.2057495651389611
Energy: 1.3544703672408087
Energy: 1.234567908876337
Energy: 1.2191975336659766
Energy: 1.1830282606903813
Energy: 1.2155397662099425
Energy: 1.2640717768346843
Energy: 1.024468238382189
Energy: 1.228675284562293
Energy: 1.2284533609605948
Energy: 1.1635819416415658
Energy: 1.2869550311999955
Energy: 1.2317592672786934
Energy: 1.2942954196391727
Energy: 1.0339201840794812
Energy: 1.0288061771966084
Energy: 1.193215970973058
Energy: 1.1327914705012245
Energy: 1.0347859423857044
Energy: 1.002070666565451
Energy: 1.2415973928391295
Energy: 1.0918820774471263
Energy: 1.0136892451989326
Energy: 1.2449343016264374
Energy: 1.0617125497232
Energy: 0.9709138235868428
Energy: 1.1094703274180715
Energy: 1.2023851041677658
Energy: 0.9714143548333949
Energy: 1.11765754537418
Energy: 0.9949533174900815
Energy: 1.0324699094911098
Energy: 1.0044759209079261
Energy: 0.9940489819807049
Energy: 1.0341876628461892
Energy: 1.0042639851269854
Energy: 1.0114198517390685
Energy: 1.0416077925557548
Energy: 1.0921590813307027
Energy: 1.0181622710620128
Energy: 1.06451845456186
Energy: 1.114505469600394
Energy: 1.0075015491266093
Energy: 0.9486465892501116
Energy: 1.0093370250576115
Energy: 0.9701500179310172
Energy: 0.9193813329512724
Energy: 0.9637274653256787
Energy: 0.9661431280961871
Energy: 0.9502523829833054
Energy: 1.0618486782622258
Energy: 1.081417230726862
Energy: 0.9465312351100903
Energy: 1.0811074068860216
Energy: 0.9795436228920068
Energy: 0.9895896474589292
Energy: 0.9630687015105172
Energy: 0.9530323981421862
Energy: 0.9911234554347291
Energy: 0.9629551981454287
Energy: 0.9847478352558449
Energy: 0.9585404904258567
Energy: 1.0026922600676946
Energy: 1.0046930647730943
Energy: 0.9396679453906901
Energy: 1.019948594911291
Energy: 0.9610156725029668
Energy: 0.9586263601847852
Energy: 1.095470079359752
Energy: 1.0991866373964467
Energy: 0.9597864294399101
Energy: 1.0909192153289904
Energy: 0.9817952037366686
Energy: 1.0173877229064445
Energy: 1.0190424139669043
Energy: 0.9778075901278844
Energy: 1.0123384088488183
Energy: 1.0090864646075606
Energy: 0.9899890031799566
Energy: 1.0726587418022604
Energy: 1.1149191720446798
Energy: 1.0540071140699567
Energy: 1.0725393963148004
Energy: 1.1433059954249452
Energy: 1.1042156560159009
Energy: 1.1677664150164468
Energy: 1.0452978283402141
Energy: 1.0370693267956426
Energy: 1.1700040814057961
Energy: 1.0837829958572351
Energy: 1.0294140736523079
Energy: 1.2005081871177574
Energy: 1.1564031621804318
Energy: 1.1891938371701647
Energy: 1.0791573598250803
Energy: 1.0864802599881003
Energy: 1.2069218639312214
Energy: 1.0318118454541299
Energy: 1.2369668005557084
Energy: 1.4431285769916826
Energy: 1.0488518768317454
Energy: 1.2873284809391783
Energy: 1.1150156958646276
Energy: 1.4307274228338729
Energy: 1.0446147583244472
Energy: 1.0419170240024982
Energy: 1.3040061423104445
Energy: 1.134150831486449
Energy: 1.0469823562145424
Energy: 1.2460377127456044
Energy: 1.2189860361305231
Energy: 1.219230862762303
Energy: 1.2473451076260553
Energy: 1.1834713234884917
Energy: 1.2228741912187324
Energy: 1.1633104138326469
Energy: 1.2493016456839332
Energy: 1.2287968157320284
Energy: 1.1649202384724955
Energy: 1.2994771211737977
Energy: 1.2327510248417954
Energy: 1.286018684817083
Energy: 1.0346430589178284
Energy: 1.0297397937057349
Energy: 1.1590640282091704
Energy: 1.04453518336449
Energy: 1.1938521834622002
Energy: 1.689498417982916
Energy: 1.2999139031635
Energy: 1.3027404181315207
Energy: 1.1146966713075497
Energy: 1.2979799082342915
Energy: 1.179626519410795
Energy: 1.22925350761457
Energy: 1.1290914389059516
Energy: 1.1960378188712864
Energy: 1.1220918885024156
Energy: 1.0878384327378054
Energy: 1.0793632890681222
Energy: 1.0319545869413753
Energy: 1.0063793996122539
Energy: 0.9934056390010902
Energy: 1.0325663296791454
Energy: 1.0334831830043927
Energy: 1.0794809724232097
Energy: 1.0921921956967526
Energy: 1.0141145085584082
Energy: 1.0168466291761846
Energy: 1.062985935848688
Energy: 1.0803659044942873
Energy: 1.0062569186662345
Energy: 0.9496120687988425
Energy: 0.9744687400453388
Energy: 0.9702261106752811
Energy: 0.9610926171836182
Energy: 0.9285770733735339
Energy: 0.966080968874227
Energy: 0.9468284395554366
Energy: 1.057192578333438
Energy: 1.0796142005690457
Energy: 0.9647241094071846
Energy: 1.0505684335290835
Energy: 0.98238059607014
Energy: 0.9925479509455818
Energy: 1.0149363229169162
Energy: 1.0413894483197625
Energy: 0.9944072310846351
Energy: 0.9607692180030566
Energy: 1.0416765948803393
Energy: 0.9411531543437098
Energy: 1.0045118523803545
Energy: 1.0015506867397885
Energy: 0.9436018901085225
Energy: 1.0006312575132053
Energy: 0.9511322307345705
Energy: 0.9637675406491467
Energy: 1.09594015034821
Energy: 1.0243630692805172
Energy: 1.0069034606177507
Energy: 1.088668380372093
Energy: 0.9799274236201194
Energy: 1.0094547447177684
Energy: 1.0342090396689798
Energy: 0.994902188973895
Energy: 0.9912095139853451
Energy: 1.0213851063024693
Energy: 0.9983345260088957
Energy: 1.071118963265218
Energy: 1.1561310957916235
Energy: 1.1347933673557604
Energy: 1.1077703404808101
Energy: 1.1353034609825436
Energy: 1.123367868074431
Energy: 1.3642455770363164
Energy: 1.0470963258419979
Energy: 1.0373456812945219
Energy: 1.1724813291989138
Energy: 0.9604299377871868
Energy: 1.0753063161852843
Energy: 1.2001468099427282
Energy: 1.1639937449761846
Energy: 1.207571969941152
Energy: 1.2029455263069524
Energy: 1.1629405551344247
Energy: 1.1246128216706706
Energy: 1.036267676643413
Energy: 1.2544021122098654
Energy: 1.4230546500890422
Energy: 1.085652512032981
Energy: 1.2407996092209663
Energy: 1.0379540055561813

minimum gb energy = 0.9193813329512724 eV
minimum distance =  2.32354857870423 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.659145976905273
Energy: 1.4037908511927684
Energy: 1.4557021479646224
Energy: 1.2359176577295736
Energy: 1.6426423142206827
Energy: 1.44418594489726
Energy: 1.3316774388821886
Energy: 1.2251415733107185
Energy: 1.3402046834921058
Energy: 1.2818099762698532
Energy: 1.3221450579614178
Energy: 1.3241146597544051
Energy: 1.5468098842230291
Energy: 1.2076766041492255
Energy: 1.4163747450734205
Energy: 1.5480229691663696
Energy: 1.209810220665814
Energy: 1.410631678785155
Energy: 1.5105926862223351
Energy: 1.3841849137864954
Energy: 1.3851553717782408
Energy: 1.215485210339063
Energy: 1.4984789234443638
Energy: 1.3877274853124761
Energy: 1.2055202573911357
Energy: 1.2157355226863065
Energy: 1.1864322403662546
Energy: 1.247044595785501
Energy: 1.2380862908092904
Energy: 1.1874202809922654
Energy: 1.5226883376087363
Energy: 1.2852239412425506
Energy: 1.3048031246337874
Energy: 1.230488380006784
Energy: 1.266787520586217
Energy: 1.2689152082598323
Energy: 1.2181337159146368
Energy: 1.2725340940674985
Energy: 1.247618795650899
Energy: 1.2196104623130848
Energy: 1.263669863956883
Energy: 1.1669090725522908
Energy: 1.1388048075622512
Energy: 1.2508366793676666
Energy: 1.22478171188485
Energy: 1.138458963851645
Energy: 1.252343513930781
Energy: 1.185692281440717
Energy: 1.0863078113697873
Energy: 1.192037231433845
Energy: 1.180347880151245
Energy: 1.1420040583655244
Energy: 1.2115752717655992
Energy: 1.1156471960941368
Energy: 1.3434326123815785
Energy: 1.1261084827153058
Energy: 1.0731849231458457
Energy: 1.2047328251290148
Energy: 1.1116339206429209
Energy: 1.0433033060054586
Energy: 1.076331226643225
Energy: 1.300025107024967
Energy: 1.2994620378432802
Energy: 1.1172418505249457
Energy: 1.2273177273006561
Energy: 1.2928242425919931
Energy: 1.2750140837973307
Energy: 1.2411219745902415
Energy: 1.1610375914629392
Energy: 1.2764711007830774
Energy: 1.2059326694712549
Energy: 1.164429498086054
Energy: 1.3100193187803897
Energy: 1.2976964591600049
Energy: 1.2839653804988176
Energy: 1.0926057846827133
Energy: 1.2624003056718291
Energy: 1.245340979765144
Energy: 1.1664050667534307
Energy: 1.3078217086132247
Energy: 1.4071423136916519
Energy: 1.233157974860886
Energy: 1.287939672458982
Energy: 1.4058491366456287

minimum gb energy = 1.0433033060054586 eV
minimum distance =  2.28155153200302 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.001275985761113
Energy: 1.7547370908928437
Energy: 1.6793387934285786
Energy: 1.5733307203287097
Energy: 1.9803883514514857
Energy: 1.576173602224317
Energy: 1.4236050078049596
Energy: 1.292696774920114
Energy: 1.3613946936424899
Energy: 1.3913877104834091
Energy: 1.3322865262519716
Energy: 1.3743503750259258
Energy: 1.517160740106643
Energy: 1.4097810012906666
Energy: 1.417036810106693
Energy: 1.5182215496960745
Energy: 1.4631800865743483
Energy: 1.436358075174885
Energy: 1.4588334876090365
Energy: 1.3969197039070684
Energy: 1.3379364193629044
Energy: 1.3800498958969307
Energy: 1.3917127724553209
Energy: 1.341897638645002
Energy: 1.4378387902856693
Energy: 1.2679544621985395
Energy: 1.251991097625884
Energy: 1.413713015210122
Energy: 1.2792370533044406
Energy: 1.2513859227220798
Energy: 1.4646637397022886
Energy: 1.3224154399811496
Energy: 1.3447010468787322
Energy: 1.347745740300907
Energy: 1.3104100246437502
Energy: 1.3537055278396444
Energy: 1.343210238160573
Energy: 1.3345434010860406
Energy: 1.3269445652631642
Energy: 1.3053162571521268
Energy: 1.3246926844237839
Energy: 1.28194744040318
Energy: 1.3165877570781637
Energy: 1.3379712298276463
Energy: 1.3033802822254645
Energy: 1.2992405780572398
Energy: 1.39066964361224
Energy: 1.2471298077134887
Energy: 1.4406337288870352
Energy: 1.42799397602497
Energy: 1.4253007525440835
Energy: 1.4547382038794479
Energy: 1.4015914098008841
Energy: 1.4010078101852979
Energy: 1.4842209264258956
Energy: 1.42088725415026
Energy: 1.397615952947171
Energy: 1.4903122484957654
Energy: 1.4364005174113879
Energy: 1.4590538370325323
Energy: 1.3220790161080653
Energy: 1.3700045504356793
Energy: 1.3688258509442175
Energy: 1.3243010925595216
Energy: 1.3435064881272953
Energy: 1.3530570548193905
Energy: 1.5605196656854754
Energy: 1.5402380355529033
Energy: 1.537036584356801
Energy: 1.4730167991374061
Energy: 1.4866154317323164
Energy: 1.5722572135639414
Energy: 1.3814829073080541
Energy: 1.354234418821578
Energy: 1.3636858935459537
Energy: 1.3835021502812652
Energy: 1.362801778985909
Energy: 1.3999098038827724
Energy: 1.4899315445456576
Energy: 1.429242959582085
Energy: 1.4474815074300107
Energy: 1.386386749918891
Energy: 1.4005005529410994
Energy: 1.4103280456874798
Energy: 1.402290824966321
Energy: 1.3189523418438045
Energy: 1.321059327352643
Energy: 1.397296755164712
Energy: 1.3772260332030168
Energy: 1.341523563841578
Energy: 1.2694713379301759
Energy: 1.2348204153634919
Energy: 1.2348141069185974
Energy: 1.249123653709615
Energy: 1.3730877388847864
Energy: 1.2369680811574262
Energy: 1.3628737548745364
Energy: 1.261043692814432
Energy: 1.3366399757434053
Energy: 1.3581321726300668
Energy: 1.3462154718997756
Energy: 1.3246756621500955
Energy: 1.647130554509943
Energy: 1.3684697008144746
Energy: 1.3834286920644128
Energy: 1.3601659657759004
Energy: 1.3370540665850412
Energy: 1.334405613811651
Energy: 1.3581425969753893
Energy: 1.3276869177878328
Energy: 1.2855585188620315
Energy: 1.3540341106781546
Energy: 1.3301774402975777
Energy: 1.3204359835439745
Energy: 1.5114188968353073
Energy: 1.4428459699384344
Energy: 1.4713440012283636
Energy: 1.5115787101688578
Energy: 1.435470918141749
Energy: 1.5835431225845609
Energy: 1.4873326911284848
Energy: 1.4267493336995218
Energy: 1.331012886818803
Energy: 1.449343251463784
Energy: 1.4754866040659707
Energy: 1.344417977689433
Energy: 1.4657670986314986
Energy: 1.379086500750083
Energy: 1.3089629799329192
Energy: 1.3491903596692192
Energy: 1.3969018038910874
Energy: 1.318663589335886
Energy: 1.5406896640204693
Energy: 1.3894935889687356
Energy: 1.5330499601517509
Energy: 1.4976549577537854
Energy: 1.45400618391202
Energy: 1.537316737557617
Energy: 1.342635692213041
Energy: 1.372934164156853
Energy: 1.3401037530461561
Energy: 1.3428777701916705
Energy: 1.3430850328246835
Energy: 1.2725449553184796
Energy: 1.3551623153999082
Energy: 1.3779918059137148
Energy: 1.378597918269161
Energy: 1.3175774873570592
Energy: 1.3333629274637342
Energy: 1.3775849395341053
Energy: 1.3010772195467812
Energy: 1.3403181090908751
Energy: 1.3549268280172009
Energy: 1.3467893709284244
Energy: 1.335926473073829
Energy: 1.2793130887125705
Energy: 1.4375697483426253
Energy: 1.2965000671626286
Energy: 1.2845076428470523
Energy: 1.3693069724447342
Energy: 1.2611756217914694
Energy: 1.283256625037866
Energy: 1.367518386506967
Energy: 1.4025327150213651
Energy: 1.401995016669306
Energy: 1.299925936942497
Energy: 1.39884610907159
Energy: 1.345149024330524
Energy: 1.417844789074534
Energy: 1.3967374187235724
Energy: 1.3965610025125317
Energy: 1.3987026843872028
Energy: 1.340785748215436
Energy: 1.3999714509691874
Energy: 1.484552544030361
Energy: 1.3615309280859391
Energy: 1.3803175438425004
Energy: 1.4020737977414346
Energy: 1.2968185128254235
Energy: 1.3608708100348061
Energy: 1.6386911430931141
Energy: 1.5019143031198376
Energy: 1.6198758924512984
Energy: 1.5713285544722555
Energy: 1.425584327185324
Energy: 1.5977366087117646

minimum gb energy = 1.2348141069185974 eV
minimum distance =  2.28934301292864 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.7836886706376243
Energy: 1.3873016669064517
Energy: 1.4567659166738745
Energy: 1.4180347690743251
Energy: 1.8701592363536255
Energy: 1.4225303883633542
Energy: 1.4241729251923791
Energy: 1.3288085389071698
Energy: 1.3303275935882102
Energy: 1.3350423674249734
Energy: 1.3854160979418233
Energy: 1.2931986754530722
Energy: 1.4414333123452412
Energy: 1.3400001909103534
Energy: 1.3513998691417255
Energy: 1.4417787583793285
Energy: 1.4007782913793376
Energy: 1.349730780720399
Energy: 1.348663823588769
Energy: 1.3272494446843535
Energy: 1.3072830081355435
Energy: 1.3262882617122178
Energy: 1.4334463381120761
Energy: 1.3236075381801848
Energy: 1.425844674222448
Energy: 1.3818620108074449
Energy: 1.3407239373011886
Energy: 1.447751162270217
Energy: 1.3675514810263005
Energy: 1.3405345869597793
Energy: 1.429894106222182
Energy: 1.3949511225508724
Energy: 1.3934675860270527
Energy: 1.3716699413339797
Energy: 1.354094396637711
Energy: 1.3878727960099995
Energy: 1.4273155696278963
Energy: 1.3442707622285572
Energy: 1.3661872170572225
Energy: 1.4277851898625926
Energy: 1.3468565785288544
Energy: 1.363730656861217
Energy: 1.5976185469551971
Energy: 1.3693648262716474
Energy: 1.3093759188795773
Energy: 1.4002267506420507
Energy: 1.3600053668391414
Energy: 1.3373650917299515
Energy: 1.5691343906736233
Energy: 1.3807610257765894
Energy: 1.4295502413555963
Energy: 1.5775956139819742
Energy: 1.3531633571030157
Energy: 1.4251557932372034
Energy: 1.5681855438245424
Energy: 1.3953831605514737
Energy: 1.4248429430071847
Energy: 1.5767207895929638
Energy: 1.365389047707404
Energy: 1.4304708318572528
Energy: 1.504204890225743
Energy: 1.3310711188154856
Energy: 1.3282730384983676
Energy: 1.3329761508904365
Energy: 1.3279977141732346
Energy: 1.3287327354747762
Energy: 1.3465609928302467
Energy: 1.3859291259194324
Energy: 1.3946945202555157
Energy: 1.3471429929577001
Energy: 1.3911877810062112
Energy: 1.3477752115718744
Energy: 1.3100260809461772
Energy: 1.330054160568408
Energy: 1.3180360963888644
Energy: 1.3324339972202155
Energy: 1.3802887957245502
Energy: 1.3614484339910142
Energy: 1.431102011677135
Energy: 1.3660338142042112
Energy: 1.3448259195167498
Energy: 1.371857308394925
Energy: 1.362532601882342
Energy: 1.343854067603292
Energy: 1.4270046461091972
Energy: 1.2778480978759017
Energy: 1.263162576634004
Energy: 1.3669663099980718
Energy: 1.2606769754248914
Energy: 1.267088158539078
Energy: 1.4531558315267088
Energy: 1.2905019382463268
Energy: 1.2839557136834172
Energy: 1.454598055324641
Energy: 1.340476976321543
Energy: 1.277600482726194
Energy: 1.523485297869458
Energy: 1.3430268728309338
Energy: 1.3454412452574895
Energy: 1.3743027950132438
Energy: 1.3282934913733726
Energy: 1.366108235329886

minimum gb energy = 1.2606769754248914 eV
minimum distance =  2.30373354417826 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.190253350372706
Energy: 2.0199003638788686
Energy: 1.7341765886491316
Energy: 1.8174208304812898
Energy: 2.250175854827915
Energy: 1.7360660011178985
Energy: 1.395977163856107
Energy: 1.2987090977733144
Energy: 1.2720999428731685
Energy: 1.3643496662272778
Energy: 1.2928639607439776
Energy: 1.2898707521122308
Energy: 1.4670906991162627
Energy: 1.4118994266682545
Energy: 1.4193877041359033
Energy: 1.4673481498772531
Energy: 1.4320586768246952
Energy: 1.406667869226548
Energy: 1.3759507434976102
Energy: 1.2938687627429633
Energy: 1.2969159171643023
Energy: 1.3578965390521407
Energy: 1.2961205749425109
Energy: 1.3307702861047224
Energy: 1.4636936276013444
Energy: 1.413314147384291
Energy: 1.3338584497539583
Energy: 1.4336727053012668
Energy: 1.422227507050464
Energy: 1.3353112376336953
Energy: 1.3092010773097176
Energy: 1.3009135683028097
Energy: 1.3088675234514042
Energy: 1.3118673010099964
Energy: 1.301237723310364
Energy: 1.3345704181893119
Energy: 1.4953969128803328
Energy: 1.4610680078315772
Energy: 1.3871615101069645
Energy: 1.493238758776179
Energy: 1.4629550171514467
Energy: 1.7172385770908225
Energy: 1.3419841258402414
Energy: 1.3369098983461658
Energy: 1.2729334640113052
Energy: 1.342160585664292
Energy: 1.3211838108140723
Energy: 1.2742828366572798
Energy: 1.4899050276134047
Energy: 1.3346506322322047
Energy: 1.3163328617267949
Energy: 1.5318220131723363
Energy: 1.3848214300315602
Energy: 1.4027225099965637
Energy: 1.496654772601168
Energy: 1.290556169243356
Energy: 1.291625996781431
Energy: 1.485041591033087
Energy: 1.3350963576851758
Energy: 1.2879917378277597
Energy: 1.3885407657063165
Energy: 1.4096388453728745
Energy: 1.3406186922054797
Energy: 1.3903901019944183
Energy: 1.4275606290793528
Energy: 1.3385295581825745
Energy: 1.388830754917407
Energy: 1.3529157835263879
Energy: 1.3584335080305128
Energy: 1.3903542050795925
Energy: 1.3635868024317908
Energy: 1.3637217840962719
Energy: 1.594079002239086
Energy: 1.3777922052765463
Energy: 1.3548128325913091
Energy: 1.5335413586357614
Energy: 1.3852647549465098
Energy: 1.4094070692899354
Energy: 1.537564275180096
Energy: 1.406791753343186
Energy: 1.3947557069450718
Energy: 1.5431091510119026
Energy: 1.4429027881027874
Energy: 1.3621265107636564
Energy: 1.4615759860145552
Energy: 1.2613931858917924
Energy: 1.2968519150229962
Energy: 1.4625596199334345
Energy: 1.3995279830678438
Energy: 1.4157075231246408
Energy: 1.4345911039959196
Energy: 1.4312143676967723
Energy: 1.2934425318009373
Energy: 1.4553419483377148
Energy: 1.65126697792003
Energy: 1.2895797236786795
Energy: 1.4560903696166483
Energy: 1.3350813734201945
Energy: 1.3261159771522244
Energy: 1.4041775961714127
Energy: 1.4467558908574876
Energy: 1.3314880944093535
Energy: 1.5651737058374244
Energy: 1.445877627083192
Energy: 1.4098522541011225
Energy: 1.4780228819694041
Energy: 1.4316516951104812
Energy: 1.4253296925348953
Energy: 1.4426952238493043
Energy: 1.379579541795898
Energy: 1.3927244125411775
Energy: 1.443995275198008
Energy: 1.4310624306079134
Energy: 1.4365916656179865
Energy: 1.5229349451448777
Energy: 1.4035242633454663
Energy: 1.4138042567416786
Energy: 1.5260118304331463
Energy: 1.4777310623294093
Energy: 1.4119066097831163
Energy: 1.3887343709344984
Energy: 1.3012811684779257
Energy: 1.289901719556155
Energy: 1.312146847700163
Energy: 1.2871806524887053
Energy: 1.2912563882693753

minimum gb energy = 1.2613931858917924 eV
minimum distance =  2.29362566008771 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5974997149502506
Energy: 1.4482625612693814
Energy: 1.4722406003886574
Energy: 1.5811353175644802
Energy: 1.9818991797504093
Energy: 1.4724696549860787
Energy: 1.351114154601667
Energy: 1.4382625485576628
Energy: 1.4305286896584646
Energy: 1.4809208495393873
Energy: 1.4296239662816412
Energy: 1.4303686550224084
Energy: 1.4107782530857433
Energy: 1.3762138866448177
Energy: 1.427317397107101
Energy: 1.4116320897338948
Energy: 1.4085932335686806
Energy: 1.3891659227555244
Energy: 1.3880379826755813
Energy: 1.3688026633729755
Energy: 1.3541824750059681
Energy: 1.4065658484304857
Energy: 1.3662903758135134
Energy: 1.3370411763692158
Energy: 1.4037764529936632
Energy: 1.3466541806902699
Energy: 1.347042590613158
Energy: 1.4014587484774692
Energy: 1.4773594792495914
Energy: 1.329614507858621
Energy: 1.4227543750884597
Energy: 1.311513731568765
Energy: 1.3084200090948055
Energy: 1.4239640449611441
Energy: 1.2905145865068266
Energy: 1.317968187053148
Energy: 1.3488270473744308
Energy: 1.2903049345201325
Energy: 1.2899843822664165
Energy: 1.3494245509533411
Energy: 1.2886518594896805
Energy: 1.2900041385993604
Energy: 1.4494630195247884
Energy: 1.2779411324061634
Energy: 1.3284467171032976
Energy: 1.4504668539640113
Energy: 1.2657904334934718
Energy: 1.324134999764717
Energy: 1.455904238275302
Energy: 1.3135722211816219
Energy: 1.3159933738893108
Energy: 1.334503775887669
Energy: 1.3745083775526403
Energy: 1.3040779067509445
Energy: 1.4271983616080892
Energy: 1.2790140522385107
Energy: 1.240377186387938
Energy: 1.3314035499308499
Energy: 1.2398151759549927
Energy: 1.2387559442562075
Energy: 1.5052873117254386
Energy: 1.401055666046865
Energy: 1.416366439422711
Energy: 1.5064555098789303
Energy: 1.277818495099004
Energy: 1.401560003420414
Energy: 1.3374686567874257
Energy: 1.31317154299
Energy: 1.3108749701726707
Energy: 1.2822435810085993
Energy: 1.3257420883797495
Energy: 1.2901489411746185
Energy: 1.3836865476242055
Energy: 1.361415636638258
Energy: 1.2858329510165603
Energy: 1.3847271889419002
Energy: 1.3648945338088105
Energy: 1.2863430007304206
Energy: 1.2250746669929393
Energy: 1.3139172415194638
Energy: 1.3148380394549697
Energy: 1.2557060117593275
Energy: 1.4535968021088725
Energy: 1.2751264426782916
Energy: 1.3954039621573515
Energy: 1.2917101087066971
Energy: 1.3124727709030184
Energy: 1.3725242055654026
Energy: 1.336058347335799
Energy: 1.298109478663666
Energy: 1.3806336412567721
Energy: 1.29734514049059
Energy: 1.2754862824555546
Energy: 1.3819211086437952
Energy: 1.3049230356257233
Energy: 1.3175437323490329
Energy: 1.3269134902785216
Energy: 1.3999970358820568
Energy: 1.2650713256590862
Energy: 1.2794834780396815
Energy: 1.4127681715729605
Energy: 1.4010314562470205
Energy: 1.4070671362012825
Energy: 1.3336882293543695
Energy: 1.3002469427748773
Energy: 1.393882548561212
Energy: 1.313611151397205
Energy: 1.2954602501167851
Energy: 1.356603358509732
Energy: 1.2724840114010658
Energy: 1.269026584578552
Energy: 1.3578345535315963
Energy: 1.286711608581457
Energy: 1.2758603689187273
Energy: 1.4326820217408647
Energy: 1.2724607058059623
Energy: 1.269138917806605
Energy: 1.4334918789341708
Energy: 1.290717183502147
Energy: 1.2753854134496954
Energy: 1.4396177927136686
Energy: 1.2874163423053704
Energy: 1.2876249310521704
Energy: 1.329828845739983
Energy: 1.2850926893753842
Energy: 1.3179284355632233
Energy: 1.3495154806704712
Energy: 1.4603772327640352
Energy: 1.3623174519305292
Energy: 1.3486154877700887
Energy: 1.4601313675178853
Energy: 1.4341769456915459
Energy: 1.4351644774969348
Energy: 1.339829405785675
Energy: 1.357238020385112
Energy: 1.4359168516269185
Energy: 1.3866105737736907
Energy: 1.3627521692448448
Energy: 1.4819370509533851
Energy: 1.4473487619613763
Energy: 1.3428562459252202
Energy: 1.4830351511279456
Energy: 1.4574654320716267
Energy: 1.395201026478461
Energy: 1.4179457181574913
Energy: 1.4423068576847908
Energy: 1.453536172996904
Energy: 1.409448714635805
Energy: 1.4326421658958022
Energy: 1.408455153126828

minimum gb energy = 1.2250746669929393 eV
minimum distance =  2.32692015374249 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.1578468136698694
Energy: 2.176094254768778
Energy: 2.058985252270932
Energy: 1.8332378260638202
Energy: 2.3815884894260835
Energy: 2.0639163255692057
Energy: 1.4547421133544636
Energy: 1.3057132768472393
Energy: 1.3344820036108658
Energy: 1.383018553257499
Energy: 1.303483869461465
Energy: 1.3223055750305253
Energy: 1.465265736845119
Energy: 1.2900926240068373
Energy: 1.2863541513610848
Energy: 1.479594118847383
Energy: 1.4412747592038688
Energy: 1.2861740455738915
Energy: 1.3087813698661137
Energy: 1.2693429528642066
Energy: 1.262874576517659
Energy: 1.2962725804660207
Energy: 1.283702735310165
Energy: 1.2533433484901697
Energy: 1.3764880467180898
Energy: 1.3244208568494045
Energy: 1.2929070735934374
Energy: 1.3476656383817451
Energy: 1.4303469655680883
Energy: 1.3447356183995596
Energy: 1.2788820174686655
Energy: 1.346785773294905
Energy: 1.3594432460751968
Energy: 1.282173986746222
Energy: 1.3001371222861708
Energy: 1.2711084128638512
Energy: 1.2736188581405403
Energy: 1.392848617668895
Energy: 1.4437813059222913
Energy: 1.267064274547
Energy: 1.4438285977456073
Energy: 1.301426503554943
Energy: 1.3615755824699822
Energy: 1.283893865614347
Energy: 1.3310008696761741
Energy: 1.3619602976358736
Energy: 1.2932638872845328
Energy: 1.3354755796082076
Energy: 1.3485853772758045
Energy: 1.2945702443203768
Energy: 1.28233124819286
Energy: 1.3067958553350556
Energy: 1.4580494306176246
Energy: 1.2861031063357802
Energy: 1.2957202290865157
Energy: 1.2667251743088606
Energy: 1.2720946053568072
Energy: 1.3170651490107916
Energy: 1.2599255943232064
Energy: 1.270604299141763
Energy: 1.6349543127228279
Energy: 1.2831533428857567
Energy: 1.2802943312129083
Energy: 1.553853904279643
Energy: 1.5964459747439983
Energy: 1.2827640067826789
Energy: 1.383261600583548
Energy: 1.3016322729635657
Energy: 1.248453562308594
Energy: 1.3545201515121303
Energy: 1.3034154008074457
Energy: 1.2643592033568642
Energy: 1.4315319490012024
Energy: 1.259166926332867
Energy: 1.2735581024974492
Energy: 1.6056523624422612
Energy: 1.305122600669319
Energy: 1.2775637571367542
Energy: 1.3942257201019839
Energy: 1.2481407826520525
Energy: 1.2381426344725408
Energy: 1.3529159957515111
Energy: 1.260846541617067
Energy: 1.2513891835697921
Energy: 1.4685004982599519
Energy: 1.2599489918986397
Energy: 1.2528554518755792
Energy: 1.4696443734031372
Energy: 1.2706576523445108
Energy: 1.265711704792727
Energy: 1.3843401152048267
Energy: 1.2584956954496416
Energy: 1.2568608553911476
Energy: 1.3456456451984662
Energy: 1.2482971979368112
Energy: 1.2631288704141774
Energy: 1.4289085027384993
Energy: 1.4150730206984086
Energy: 1.527386401793689
Energy: 1.6028607792437615
Energy: 1.4736273597861285
Energy: 1.521601002811554
Energy: 1.3928399032387906
Energy: 1.2682865230159421
Energy: 1.2527111648460738
Energy: 1.2907137831696
Energy: 1.298342780820038
Energy: 1.2535780838271202
Energy: 1.3275835358045136
Energy: 1.386076542729063
Energy: 1.2939958273449472
Energy: 1.328696752672022
Energy: 1.4248319336144974
Energy: 1.269475028716442
Energy: 1.322363352853305
Energy: 1.3869263082234202
Energy: 1.2838742379189116
Energy: 1.2706664363881917
Energy: 1.3914210219700245
Energy: 1.2818483054456238
Energy: 1.3096591969148248
Energy: 1.2658469722184758
Energy: 1.2629828075765355
Energy: 1.2845578632955759
Energy: 1.3589624893249723
Energy: 1.2552494665978637
Energy: 1.2872146906355413
Energy: 1.2680478272095186
Energy: 1.267310037353499
Energy: 1.2468625777478504
Energy: 1.2912371017267628
Energy: 1.2605309153527153
Energy: 1.3196362371192423
Energy: 1.5449963582347637
Energy: 1.3120682032722866
Energy: 1.3136412881429609
Energy: 1.5031904721580795
Energy: 1.2969955383324485
Energy: 1.270317460181138
Energy: 1.4944580099447151
Energy: 1.4534175061078352
Energy: 1.2704548931986435
Energy: 1.3143343579081894
Energy: 1.2533987861189928
Energy: 1.3439385766976828
Energy: 1.2632346903022158
Energy: 1.2619497384309706
Energy: 1.3323278554030422
Energy: 1.3861499500271752
Energy: 1.2585190166010973
Energy: 1.3942677684902536
Energy: 1.3815310864558097
Energy: 1.4006080006449797
Energy: 1.3558180532436226
Energy: 1.4280167646156998
Energy: 1.2966441927616443
Energy: 1.366082381009745
Energy: 1.269216196748707
Energy: 1.2687576631637296
Energy: 1.3675770932963072
Energy: 1.2864559543065377
Energy: 1.276161874954724
Energy: 1.4765740580763327
Energy: 1.2852418897671039
Energy: 1.2722711911456905
Energy: 1.4768944396274208
Energy: 1.3172365575556098
Energy: 1.2854820011230694
Energy: 1.4395051555227572
Energy: 1.3496981528307772
Energy: 1.352795993343066
Energy: 1.571007958478264
Energy: 1.3869171167597751
Energy: 1.2706360757450483

minimum gb energy = 1.2381426344725408 eV
minimum distance =  2.27649269915416 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.977414041822268
Energy: 1.9520614936331118
Energy: 1.950296779824842
Energy: 1.7858049648473113
Energy: 2.2881560897759288
Energy: 1.451943343967429
Energy: 1.2736083084620262
Energy: 1.1929616406999932
Energy: 1.2048682455443807
Energy: 1.2528943127477858
Energy: 1.2621015037245014
Energy: 1.2037542476369285
Energy: 1.497569104811505
Energy: 1.3249165812800732
Energy: 1.2284341552740543
Energy: 1.4985498201336984
Energy: 1.4503181565446623
Energy: 1.2356433382377974
Energy: 1.2690612819949187
Energy: 1.1821804195259118
Energy: 1.1724098662635707
Energy: 1.2209316899420743
Energy: 1.2304819198490164
Energy: 1.171863838374647
Energy: 1.2896273856156002
Energy: 1.2506196736175772
Energy: 1.2471235885914576
Energy: 1.2616508629386194
Energy: 1.4277891848516384
Energy: 1.2162660607832756
Energy: 1.258503644649902
Energy: 1.226216510032173
Energy: 1.216156651393178
Energy: 1.259625069827309
Energy: 1.2808163825486778
Energy: 1.2111800753616577
Energy: 1.2830980986647058
Energy: 1.228597360499053
Energy: 1.3243650431789153
Energy: 1.441944945482187
Energy: 1.3609115796808653
Energy: 1.228205511058919
Energy: 1.2306797461942403
Energy: 1.202158395897467
Energy: 1.2014982333235382
Energy: 1.2506615416834284
Energy: 1.2675484509140849
Energy: 1.2242926043184177
Energy: 1.2683755314490908
Energy: 1.227032262020519
Energy: 1.213322456075303
Energy: 1.234228848601961
Energy: 1.4596219881495174
Energy: 1.2079289971349603
Energy: 1.2456768642688605
Energy: 1.1919307718357899
Energy: 1.2162881715221334
Energy: 1.2334063507371835
Energy: 1.208658364576757
Energy: 1.2207455617127023
Energy: 1.5558825556598426
Energy: 1.2326468875389087
Energy: 1.2295126703793253
Energy: 1.5568792050583635
Energy: 1.234159608346654
Energy: 1.230785691405675
Energy: 1.2470041910443785
Energy: 1.2163919618808117
Energy: 1.1810072867813857
Energy: 1.2575597887097312
Energy: 1.2360575398171454
Energy: 1.2001830984676523
Energy: 1.3319379563775924
Energy: 1.1987599981811519
Energy: 1.2049088566262098
Energy: 1.4742307702941106
Energy: 1.303468104280448
Energy: 1.2041744546409543
Energy: 1.3161492112095954
Energy: 1.218402650360093
Energy: 1.196906389402543
Energy: 1.3435733900131506
Energy: 1.2770154904323168
Energy: 1.183454383697348
Energy: 1.4765944647081946
Energy: 1.2047818195434141
Energy: 1.203746556654007
Energy: 1.270301104842599
Energy: 1.2292665416773694
Energy: 1.2176584259160144
Energy: 1.4571376925450574
Energy: 1.240186504550973
Energy: 1.2139656391438776
Energy: 1.3290553308360946
Energy: 1.1816046363179675
Energy: 1.2097231413403515
Energy: 1.9807338044976068
Energy: 1.4203936608874537
Energy: 1.2072113599636314
Energy: 1.7051639572791326
Energy: 1.4433625110295003
Energy: 1.2304763799835339
Energy: 1.2732691683260153
Energy: 1.3097687121991453
Energy: 1.294002491993879
Energy: 1.2661378228303561
Energy: 1.2685910788154762
Energy: 1.202713036058329
Energy: 1.469390139167993
Energy: 1.2185406584704603
Energy: 1.2174960649883
Energy: 1.4709343424007109
Energy: 1.2470661749827048
Energy: 1.218278857711696
Energy: 1.3291099797504753
Energy: 1.2198077182646956
Energy: 1.2170907364045818
Energy: 1.3302094332303587
Energy: 1.2411597820161162
Energy: 1.199812817867295
Energy: 1.289630698665499
Energy: 1.2750420806875626
Energy: 1.2123434437669112
Energy: 1.2653004551868376
Energy: 1.3590365605137193
Energy: 1.2128331844468037
Energy: 1.2650200204302973
Energy: 1.2201622936090246
Energy: 1.2126899490021914
Energy: 1.2288973798346272
Energy: 1.3146970087245533
Energy: 1.2116709367813527
Energy: 1.2881858943993842
Energy: 1.2282442720021238
Energy: 1.2004616574315417
Energy: 1.283347530920643
Energy: 1.2499465377956123
Energy: 1.1998358071452593
Energy: 1.2785047589125649
Energy: 1.2065919472133046
Energy: 1.2017064515554783
Energy: 1.2784443967380443
Energy: 1.2052030453082974
Energy: 1.4073477330343913
Energy: 1.2494260687119112
Energy: 1.222045272039751
Energy: 1.2291678705384164
Energy: 1.2399788348205745
Energy: 1.45019829270493
Energy: 1.212498121330691
Energy: 1.2698148254004802
Energy: 1.201435318339377
Energy: 1.2216101066312646
Energy: 1.2294261264943398
Energy: 1.2590114161475277
Energy: 1.2087336359791283
Energy: 1.3164465410448272
Energy: 1.4103754484589102
Energy: 1.3353078273161578
Energy: 1.460579600289357
Energy: 1.2338034082079623
Energy: 1.1941404977358059
Energy: 1.25035202075908
Energy: 1.2140593573961875
Energy: 1.2094610383594309
Energy: 1.2514516877673743
Energy: 1.201042217244259
Energy: 1.190465535620325
Energy: 1.3078806043527824
Energy: 1.2037310498504967
Energy: 1.1982175172665555
Energy: 1.3034629825309445
Energy: 1.3041042508160623
Energy: 1.208928561388477
Energy: 1.306008544265421
Energy: 1.277192174048516
Energy: 1.2228974801451242
Energy: 1.2867738189733304
Energy: 1.242855312775501
Energy: 1.1993180186540464
Energy: 1.3591250227161191
Energy: 1.2069390933638877
Energy: 1.2061567332631788
Energy: 1.3604913338486386
Energy: 1.2193486780764322
Energy: 1.211370219545817
Energy: 1.4700099966782043
Energy: 1.2303004292244613
Energy: 1.2128421400813574
Energy: 1.2860118962373408
Energy: 1.2314095086415924
Energy: 1.2187806398826888
Energy: 1.3410771478702357
Energy: 1.3957278555148154
Energy: 1.1958086108556234
Energy: 1.3202847083313436
Energy: 1.400032251178221
Energy: 1.1943628196162037

minimum gb energy = 1.171863838374647 eV
minimum distance =  2.28628264736856 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.017796135016485283
Energy: 0.01857656293648072
Energy: 0.018562960732865418
Energy: 0.019911885231673903
Energy: 1.6772713038328488
Energy: 0.01841843537806932
Energy: 0.018597642343384624
Energy: 0.1382377927631882
Energy: 0.13636284208403768
Energy: 0.13905014024585152
Energy: 0.138435773911905
Energy: 0.13642065763748468
Energy: 1.6766605095294234
Energy: 1.2906370129446356
Energy: 1.2890984942440369
Energy: 1.6756392309406698
Energy: 1.2909206036003509
Energy: 1.2890581548951887
Energy: 0.5210403853993658
Energy: 0.1382377927631882
Energy: 0.13636284208403768
Energy: 0.13905014024498014
Energy: 0.13843577391146933
Energy: 0.1364206576366133

minimum gb energy = 0.017796135016485283 eV
minimum distance =  2.54475105619268 Angstroms
sigma value = 1