Model name: model_name=MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784095105506
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013703051126492472
Energy: 0.013880659386665821
Energy: 0.2540167750186153
Energy: 0.013880659386665821
Energy: 0.013880659386665821
Energy: 0.8240992824371488
Energy: 0.013880659386665821
Energy: 0.8240992824371488
Energy: 0.2540167750186153
Energy: 0.013880659387293619
Energy: 0.013703051125899549
Energy: 0.013880659386665821
Energy: 0.013880659387293619
Energy: 0.8240992824371488
Energy: 0.013880659387293619
Energy: 0.8240992824371488

minimum gb energy = 0.013703051125899549 eV
minimum distance =  2.46592519254004 Angstroms
sigma value = 1


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

Energy: 0.9843302548767348
Energy: 1.0149076786726234
Energy: 0.9172866259759942
Energy: 1.0149076786726234
Energy: 0.9502283862791283
Energy: 0.992112255484544
Energy: 0.9358593327842385
Energy: 0.9921122554837826
Energy: 0.8745136274691214
Energy: 1.0036478902640613
Energy: 0.9379482612761779
Energy: 1.003647890264823
Energy: 0.9255629567342014
Energy: 1.0180370244969499
Energy: 0.9079840527856419
Energy: 1.0180370244969499
Energy: 0.9253762339694851
Energy: 1.01565928314762
Energy: 0.9160104334296215
Energy: 1.0156592831483815
Energy: 0.892278374869957
Energy: 0.9893044399722463
Energy: 0.8674245270092859
Energy: 0.9893044399699621
Energy: 0.9345825989793588
Energy: 1.003525239535162
Energy: 0.8937686792925225
Energy: 1.0035252395359233
Energy: 0.8353253480794395
Energy: 1.0153107028523654
Energy: 0.8634124794282373
Energy: 1.0153107028523654
Energy: 0.9094953382511005
Energy: 0.9361538512995958
Energy: 0.9260606063125173
Energy: 0.9361538513003571
Energy: 0.8646510972334949
Energy: 1.0032374631690901
Energy: 0.8271160738247243
Energy: 1.0032374631698515
Energy: 0.931318581988471
Energy: 0.9922184608589257
Energy: 0.9096703585825768
Energy: 0.9922184608589257
Energy: 0.8956239003829468
Energy: 1.0153151054293874
Energy: 0.8763322995311337
Energy: 1.0153151054286262
Energy: 0.9337961473709967
Energy: 1.0033477011835328
Energy: 0.9529941518021833
Energy: 1.0033477011827714
Energy: 0.9351994694357131
Energy: 1.0017241024886068
Energy: 0.9001013297756739
Energy: 1.0017241024886068
Energy: 0.9421565858459469
Energy: 1.015629138822944
Energy: 0.9324440186073605
Energy: 1.015629138822944
Energy: 0.9456886487658955
Energy: 1.0153718777527851
Energy: 0.9327568529471223
Energy: 1.0153718777535463
Energy: 0.938093017338574
Energy: 1.003647300683687
Energy: 0.8667718200135174
Energy: 1.0036473006844484
Energy: 0.9360776964193094
Energy: 1.0037772771003257
Energy: 0.9506677323377314
Energy: 1.0037772771003257
Energy: 0.8361781499982082
Energy: 1.015163946537584
Energy: 0.878848552176682
Energy: 1.0151639465368223
Energy: 0.9360270404327841
Energy: 0.9350000097068724
Energy: 0.9095273192086036
Energy: 0.9350000097076339
Energy: 0.8649539995661594
Energy: 1.003365497351237
Energy: 0.8257418525436448
Energy: 1.0033654973504755
Energy: 0.9081893424479711
Energy: 0.999488540025733
Energy: 0.9406099084004735
Energy: 0.9994885400264943
Energy: 0.9226799267032761
Energy: 1.0157071095936838
Energy: 0.8800229925662637
Energy: 1.0157071095936838
Energy: 0.9109261724882293
Energy: 1.0044398120342686
Energy: 0.8924097325394623
Energy: 1.00443981203503
Energy: 0.8938090548247333
Energy: 0.9870255384487824
Energy: 0.9528258147231808
Energy: 0.9870255384533507
Energy: 0.9266885724600652
Energy: 1.015321796407244
Energy: 0.8804996578710852
Energy: 1.015321796407244
Energy: 0.9256446367438662
Energy: 1.16292277122466
Energy: 0.9089786129755788
Energy: 1.1629227712238988
Energy: 0.8758573357648562
Energy: 1.0033967450627639
Energy: 0.9417453434439106
Energy: 1.0033967450627639
Energy: 0.9340652666147363
Energy: 0.999240710551526
Energy: 0.9327354450157667
Energy: 0.9992407105507646
Energy: 0.9563695350022695
Energy: 1.0147985205826713
Energy: 0.8959562302162265
Energy: 1.0147985205826713
Energy: 0.9530154298796085
Energy: 1.0025808344964777
Energy: 0.9336189860013773
Energy: 1.0025808344964777
Energy: 0.9023857315567582
Energy: 1.0039278044307567
Energy: 0.9350776367610685
Energy: 1.0039278044307567
Energy: 0.925229832045726
Energy: 1.0160341382948883
Energy: 0.9091379827049805
Energy: 1.0160341382956497

minimum gb energy = 0.8257418525436448 eV
minimum distance =  2.30752205788879 Angstroms
sigma value = 1


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

Energy: 1.0188201779735866
Energy: 1.0492703976062918
Energy: 0.9762457675879443
Energy: 1.0492703976062918
Energy: 0.9716706682115194
Energy: 1.047834224625973
Energy: 0.9767061302198672
Energy: 1.047834224625973
Energy: 0.923804453872814
Energy: 1.0620041210801716
Energy: 0.9760401663960552
Energy: 1.0620041210793036
Energy: 0.9156950215707315
Energy: 0.9831910536095153
Energy: 0.930579249026683
Energy: 0.9831910536086472
Energy: 0.9153992509115574
Energy: 1.0468538714211624
Energy: 0.9033812463819132
Energy: 1.0468538714228988
Energy: 0.9678140087947577
Energy: 1.0465594844204804
Energy: 0.9339638083165575
Energy: 1.0465594844213486
Energy: 0.9166344625403391
Energy: 0.9612199490377172
Energy: 0.9306002839838766
Energy: 0.961219945854023
Energy: 0.8663099598180628
Energy: 1.0612235641269463
Energy: 0.9091874909462567
Energy: 1.0612235641286827
Energy: 0.924034850927717
Energy: 0.9923188774364325
Energy: 0.9770470355829143
Energy: 0.9923188774381687
Energy: 0.9191787410849368
Energy: 1.0608157065676411
Energy: 0.8679335232997211
Energy: 1.0608157065676411
Energy: 0.9165719296684902
Energy: 1.010342371879762
Energy: 0.9769756084806575
Energy: 1.010342371879762
Energy: 0.8963394117588998
Energy: 1.062641686365878
Energy: 0.9804020428437994
Energy: 1.062641686366746
Energy: 0.997026172811498
Energy: 1.0467230050633738
Energy: 0.9407113914973679
Energy: 1.0467230050633738
Energy: 0.997414074595291
Energy: 1.0467076128836275
Energy: 0.907830124614377
Energy: 1.0467076128827595
Energy: 0.8962056166352166
Energy: 1.062749982438349
Energy: 0.9949052842781778
Energy: 1.0627499824400852
Energy: 0.9168806160690801
Energy: 1.0101621806663603
Energy: 0.9770045419673775
Energy: 1.0101621806672283
Energy: 0.9191379529489341
Energy: 1.0610607390579734
Energy: 0.8800632885187509
Energy: 1.0610607390571052
Energy: 0.9240128434459108
Energy: 0.992033109266946
Energy: 0.9772983462779226
Energy: 0.9920331092678141
Energy: 0.8663326440744384
Energy: 1.0612939384690423
Energy: 0.9093870622597992
Energy: 1.0612939384699103
Energy: 0.9165648283153917
Energy: 0.9609103459942748
Energy: 0.9294495757938078
Energy: 0.9609103459960111
Energy: 0.9674072532826178
Energy: 1.0465740599086082
Energy: 0.9032413516792287
Energy: 1.046574059906872
Energy: 0.9153383870112101
Energy: 1.0467327103061113
Energy: 0.9510331144888136
Energy: 1.0467327103069795
Energy: 0.9152338062479124
Energy: 0.9832801920642668
Energy: 0.9306832369656244
Energy: 0.9832801920625306
Energy: 0.9237288590357223
Energy: 1.0618324302423818
Energy: 0.9951755222997487
Energy: 1.0618324302406457
Energy: 0.9716546127391118
Energy: 1.0475502759921147
Energy: 0.9766224602902162
Energy: 1.0475502759929827
Energy: 1.0188201779735866
Energy: 1.0492703976062918
Energy: 0.9387976509714746
Energy: 1.0492703976071598
Energy: 0.9716706682106512
Energy: 1.047834224625973
Energy: 0.9767061302198672
Energy: 1.047834224625973
Energy: 0.9238044538745502
Energy: 1.0620041210801716
Energy: 0.9606623295330237
Energy: 1.0620041210801716
Energy: 0.9156950215689951
Energy: 0.9831910536086472
Energy: 0.9207855375103682
Energy: 0.9831910536103834

minimum gb energy = 0.8663099598180628 eV
minimum distance =  2.25717110668202 Angstroms
sigma value = 25


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

Energy: 1.0025701861793515
Energy: 1.1248536124973578
Energy: 1.0464118637838515
Energy: 1.124853612498367
Energy: 0.9756645200223437
Energy: 1.061480990812869
Energy: 0.9741857767239741
Energy: 1.0614809908108507
Energy: 0.9470157997737227
Energy: 1.150619174625067
Energy: 0.9748701499669373
Energy: 1.150619174625067
Energy: 0.9686368268979206
Energy: 1.0754812323586072
Energy: 0.9615486883703618
Energy: 1.0754812323596163
Energy: 0.9587514041346078
Energy: 1.12516727800485
Energy: 0.965907825075426
Energy: 1.12516727800485
Energy: 1.036822620345342
Energy: 1.149965875829148
Energy: 1.1943918517495054
Energy: 1.149965875829148
Energy: 0.975378447345451
Energy: 0.9818823534728413
Energy: 0.9880973166375991
Energy: 0.9818823534728413
Energy: 1.0633153091166379
Energy: 1.1251830645581047
Energy: 0.9288976461836681
Energy: 1.1251830645581047
Energy: 0.9881493853903492
Energy: 1.061467176573587
Energy: 0.9739198724488904
Energy: 1.061467176573587
Energy: 0.9747239755275184
Energy: 1.1506800832642423
Energy: 0.9452708234114735
Energy: 1.1506800832642423
Energy: 0.9664008197874885
Energy: 1.1248733416248187
Energy: 0.9743742599986016
Energy: 1.1248733416258276
Energy: 0.9615587745377588
Energy: 1.1249100320171395
Energy: 0.9738612705047858
Energy: 1.1249100320171395
Energy: 0.9747605883163178
Energy: 1.0785616610410695
Energy: 0.9456195028797214
Energy: 1.0785616610400603
Energy: 0.9892405611388768
Energy: 0.9750292611913794
Energy: 0.9751888629429661
Energy: 0.9750292611923886
Energy: 0.9048285016532712
Energy: 1.1255646690152186
Energy: 0.9267817471035401
Energy: 1.1255646690152186
Energy: 0.9743882600987245
Energy: 0.9835315618004891
Energy: 0.9599857182657572
Energy: 0.9835315618004891
Energy: 0.9083324886578451
Energy: 1.1508936805935466
Energy: 0.9082887284779115
Energy: 1.1508936805935466
Energy: 0.9611393117612783
Energy: 1.1268702297928637
Energy: 0.9662077812994319
Energy: 1.1268702297928637
Energy: 0.9655107140097928
Energy: 1.0711230394068576
Energy: 0.9587384704312487
Energy: 1.0711230394068576
Energy: 0.959433804620759
Energy: 1.1502174114305812
Energy: 0.9735642127609178
Energy: 1.1502174114305812
Energy: 0.9898841315123963
Energy: 1.060817209571691
Energy: 0.9737554316767041
Energy: 1.060817209571691
Energy: 1.0006611924643434
Energy: 1.1248703339855362
Energy: 1.0163771464348101
Energy: 1.1248703339855362
Energy: 0.9739889781373138
Energy: 1.0733165519716514
Energy: 0.9741449941185552
Energy: 1.0733165519716514
Energy: 0.9092839461227163
Energy: 1.1504786687061608
Energy: 0.974741334193967
Energy: 1.1504786687061608
Energy: 0.9747715225662261
Energy: 1.0870048124305967
Energy: 0.9597716534503214
Energy: 1.0870048124305967

minimum gb energy = 0.9048285016532712 eV
minimum distance =  2.27383712333943 Angstroms
sigma value = 9


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

Energy: 1.057655772053604
Energy: 1.0568898340297055
Energy: 1.126770598243171
Energy: 1.0568898340309092
Energy: 1.036167609940537
Energy: 1.1445329765693117
Energy: 1.056102072290069
Energy: 1.1445329765693117
Energy: 0.9579441604137013
Energy: 1.0504479808714946
Energy: 1.0361989334362542
Energy: 1.050447980870291
Energy: 1.0513153121764567
Energy: 1.151996811171568
Energy: 0.983602678035616
Energy: 1.1519968111703642
Energy: 1.1295568460712955
Energy: 1.1305787938683796
Energy: 1.02410665993862
Energy: 1.130578793867176
Energy: 0.9461293947422265
Energy: 1.0505788620711072
Energy: 0.9840249014641219
Energy: 1.0505788620711072
Energy: 1.0642507263353387
Energy: 0.9840980416821152
Energy: 0.9851728669555225
Energy: 0.9840980416809113
Energy: 1.044396477398971
Energy: 1.050219164647363
Energy: 0.9749653558420668
Energy: 1.0502191646461592
Energy: 1.050126471045342
Energy: 1.1438829253058955
Energy: 1.0369795702291384
Energy: 1.1438829253058955
Energy: 1.0516299726025373
Energy: 1.0500154368794976
Energy: 0.9837176378823024
Energy: 1.0500154368794976
Energy: 1.0027393445461987
Energy: 1.128969955612274
Energy: 1.03599514391375
Energy: 1.128969955612274
Energy: 1.0509290826641489
Energy: 1.1137170144018635
Energy: 0.9836150414955217
Energy: 1.1137170144006598
Energy: 0.9460515290043207
Energy: 1.057177794184536
Energy: 0.9724330504748618
Energy: 1.057177794184536
Energy: 1.0383828172662461
Energy: 1.0500021801760138
Energy: 1.0500158668409012
Energy: 1.0500021801760138
Energy: 0.9460551810948084
Energy: 1.0571126352644158
Energy: 0.9930823613555221
Energy: 1.057112635263212
Energy: 1.0508844676098588
Energy: 1.113748014506089
Energy: 0.983400580315483
Energy: 1.113748014506089
Energy: 1.002991481616008
Energy: 1.128955972613314
Energy: 1.0012660390304453
Energy: 1.128955972613314
Energy: 1.0515124592803433
Energy: 1.0508640817249115
Energy: 0.9835198850259628
Energy: 1.0508640817249115
Energy: 1.069456777735864
Energy: 1.143654656704015
Energy: 1.0013986663372314
Energy: 1.1436546567052186
Energy: 1.044375931143316
Energy: 1.0499861539039956
Energy: 0.9749910229916429
Energy: 1.0499861539027917
Energy: 1.0640515359054512
Energy: 0.9840032126648841
Energy: 0.98515159448018
Energy: 0.9840032126648841

minimum gb energy = 0.9460515290043207 eV
minimum distance =  2.36837417657815 Angstroms
sigma value = 25


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

Energy: 1.0172227903875237
Energy: 1.1520767379607262
Energy: 1.2351288560808686
Energy: 1.1520767379607262
Energy: 0.9973739753078379
Energy: 1.1582371989450215
Energy: 0.9808594123876573
Energy: 1.1582371989450215
Energy: 0.9818217617788173
Energy: 1.1878588643947368
Energy: 0.9805525496667036
Energy: 1.1878588644200465
Energy: 1.0150220387916715
Energy: 1.0663277022666777
Energy: 1.1128836093952683
Energy: 1.066327702140197
Energy: 1.1143209882049567
Energy: 0.9970264519543213
Energy: 0.9812489537547885
Energy: 0.9970264519543213
Energy: 0.9854331639993691
Energy: 1.1717107501112636
Energy: 0.9843815147436152
Energy: 1.1717107501112636
Energy: 0.9814240196114774
Energy: 1.0659116971488138
Energy: 0.9810246179087294
Energy: 1.0659116971488138
Energy: 1.1127393695864436
Energy: 1.1162255355296187
Energy: 1.014226939829779
Energy: 1.1162255355281296
Energy: 0.9806505499580886
Energy: 1.1582106979952025
Energy: 0.9981905884673269
Energy: 1.1582106979952025
Energy: 1.1609825516821406
Energy: 1.0959842156779636
Energy: 0.9819647862231532
Energy: 1.095984215680941
Energy: 0.9812135558586188
Energy: 1.066886142870458
Energy: 1.2370489839157115
Energy: 1.066886143809488
Energy: 0.9810448552978271
Energy: 1.0288354590502284
Energy: 1.1626929933362098
Energy: 1.0288354590502284
Energy: 1.1126634794142174
Energy: 1.096494276596999
Energy: 0.9811152372825854
Energy: 1.0964942765955104
Energy: 0.9809146431435782
Energy: 1.0670249667402893
Energy: 1.0147998851351236
Energy: 1.0670249667402893
Energy: 0.9809265374465322
Energy: 1.1675062867511996
Energy: 1.114273596509651
Energy: 1.1675062867497108
Energy: 0.9971526543632758
Energy: 1.0965456807356524
Energy: 0.9853314885049569
Energy: 1.0965456827967341
Energy: 0.980940022288547
Energy: 1.0875065624899964
Energy: 1.1622092336893053
Energy: 1.0875065624885079

minimum gb energy = 0.9805525496667036 eV
minimum distance =  2.34225372604203 Angstroms
sigma value = 17


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

Energy: 1.124097718706043
Energy: 1.122255162701861
Energy: 1.3252331892442957
Energy: 1.122255162701861
Energy: 1.1619384223584954
Energy: 1.090771896865244
Energy: 1.0106679945326476
Energy: 1.090771896865244
Energy: 1.1227132745108792
Energy: 1.1154492126022024
Energy: 1.0099931871931078
Energy: 1.115449212601359
Energy: 1.0123912112425815
Energy: 1.119021115523121
Energy: 1.089225158415878
Energy: 1.1190211155349252
Energy: 1.1589308449991844
Energy: 1.1388003963536886
Energy: 1.0594210537687927
Energy: 1.138800396354532
Energy: 1.0279241183175367
Energy: 1.113591631598288
Energy: 1.1126159635416561
Energy: 1.1135916315974446
Energy: 1.0156864568536443
Energy: 1.1396061466574074
Energy: 1.0104437074411936
Energy: 1.1396061466574074
Energy: 1.113533218813013
Energy: 1.0554638821859705
Energy: 1.0235662597131743
Energy: 1.0554638821851272
Energy: 1.0300018528549353
Energy: 1.1773911488853115
Energy: 1.1727953121280232
Energy: 1.1773911488861546
Energy: 1.24735456946682
Energy: 1.0968949599430702
Energy: 1.0104101204750109
Energy: 1.0968949599455995
Energy: 1.0158915758909135
Energy: 1.1172843453814651
Energy: 1.1266614038995837
Energy: 1.1172843453806223
Energy: 1.0247180410864436
Energy: 1.1364612612712306
Energy: 1.0242357943985332
Energy: 1.136461261272074
Energy: 1.1581934955348312
Energy: 1.1189262470998758
Energy: 1.1190316573278825
Energy: 1.1189262470998758
Energy: 1.0100506612452644
Energy: 1.1921452679243967
Energy: 1.135650727438622
Energy: 1.1921452679243967
Energy: 1.1063812705222347
Energy: 1.1325857710554035
Energy: 1.025564107475966
Energy: 1.1325857710587761
Energy: 1.1218652596002023
Energy: 1.2195257671168698
Energy: 1.1139175509172625
Energy: 1.2195257671177129
Energy: 1.011132307358288
Energy: 1.174219037026173
Energy: 1.2516530222125408
Energy: 1.174219037026173
Energy: 1.1364675089759027
Energy: 1.111602757278821
Energy: 1.0279092897002824
Energy: 1.1116027572796643
Energy: 1.0107528259063296
Energy: 1.1828198886200139
Energy: 1.0983036804680122
Energy: 1.1828198886200139
Energy: 1.0105206535074311
Energy: 1.1182144139002845
Energy: 1.0129058069778683
Energy: 1.118214413901128
Energy: 1.0624553259921676
Energy: 1.1130924988409667
Energy: 1.1223547602910573
Energy: 1.1130924988401234
Energy: 1.0112418568212582
Energy: 1.269768897961071
Energy: 1.2249772538272112
Energy: 1.269768897961071
Energy: 1.1751635264175937
Energy: 1.1221603704698149
Energy: 1.0108858623446544
Energy: 1.1221603704681284
Energy: 1.023941407123072
Energy: 1.1332871693510294
Energy: 1.1538673925830791
Energy: 1.1332871693510294
Energy: 1.1158054627908696
Energy: 1.1137454108259306
Energy: 1.1529473759633604
Energy: 1.1137454108267737
Energy: 1.1568770010609413
Energy: 1.1179633850767352
Energy: 1.0120628393504718
Energy: 1.1179633850784214
Energy: 1.039314005619025
Energy: 1.1631661508606075
Energy: 1.2798196342853057
Energy: 1.1631661508606075
Energy: 1.112231691504742
Energy: 1.1140861038607688
Energy: 1.1236915758869301
Energy: 1.1140861038616119
Energy: 1.2117579158815706
Energy: 1.200366980607892
Energy: 1.01543170867142
Energy: 1.2003669806104216
Energy: 1.0236097196550298
Energy: 1.1807399266971408
Energy: 1.1379393613701865
Energy: 1.1807399266971408

minimum gb energy = 1.0099931871931078 eV
minimum distance =  2.26731373692161 Angstroms
sigma value = 53


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

Energy: 0.9838155300102677
Energy: 0.9822584788299233
Energy: 1.3806534294624042
Energy: 0.9822584788279821
Energy: 1.1996617834527858
Energy: 1.071597530495728
Energy: 1.0172594788470355
Energy: 1.071597530495728
Energy: 0.9848074583106796
Energy: 0.9821490357770282
Energy: 0.9876285515199871
Energy: 0.9821490357770282
Energy: 0.984496585033605
Energy: 0.9820595406589504
Energy: 0.9875502905358494
Energy: 0.9820595406608915
Energy: 1.2001321968701322
Energy: 1.0725557108825674
Energy: 1.0172548679813158
Energy: 1.0725557108825674
Energy: 0.9838155300102677
Energy: 0.9822584788299233
Energy: 1.246082355310976
Energy: 0.9822584788279821
Energy: 1.1996617834527858
Energy: 1.071597530495728
Energy: 1.0172594788470355
Energy: 1.071597530495728
Energy: 0.9848074583106796
Energy: 0.9821490357770282
Energy: 0.9876285515199871
Energy: 0.9821490357770282
Energy: 0.9844965850355463
Energy: 0.9820595406608915
Energy: 1.0697784578026222
Energy: 0.9820595406608915
Energy: 1.2001321968701322
Energy: 1.0725557108825674
Energy: 1.0172548679813158
Energy: 1.0725557108825674
Energy: 0.9838155300102677
Energy: 0.9822584788299233
Energy: 1.1548547989587936
Energy: 0.9822584788299233
Energy: 1.1996617834547272
Energy: 1.071597530495728
Energy: 1.0693304339506218
Energy: 1.071597530495728
Energy: 0.9848074583126207
Energy: 0.9821490357770282
Energy: 0.9876285515199871
Energy: 0.9821490357770282

minimum gb energy = 0.9820595406589504 eV
minimum distance =  2.32339474819265 Angstroms
sigma value = 9


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

Energy: 1.0953937405831868
Energy: 1.2253340979124907
Energy: 1.4794485860849647
Energy: 1.2253340979124907
Energy: 1.20208774284476
Energy: 1.1420189785903914
Energy: 1.0872218467795216
Energy: 1.1420189785903914
Energy: 1.0637178684132793
Energy: 1.0804435879291507
Energy: 1.078410910977489
Energy: 1.0804435879298688
Energy: 1.1628794532451248
Energy: 1.2816597296161951
Energy: 1.0706455872273024
Energy: 1.2816597296154768
Energy: 1.2681538682425622
Energy: 1.1488563686080533
Energy: 1.0854912841639226
Energy: 1.1488563686080533
Energy: 1.0813142745787647
Energy: 1.0805858919559668
Energy: 1.1689536473162931
Energy: 1.0805858919559668
Energy: 1.3740389175304044
Energy: 1.1445620233523346
Energy: 1.0960534405474927
Energy: 1.144562023351649
Energy: 1.0732983434766477
Energy: 1.2890956435634968
Energy: 1.1791619783363374
Energy: 1.2890956435627785
Energy: 1.066434868244948
Energy: 1.2916360808039424
Energy: 1.0855103289922392
Energy: 1.291636080804661
Energy: 1.0645098647766702
Energy: 1.1385923273461516
Energy: 1.0777989864711166
Energy: 1.1385923273461516
Energy: 1.0750570619798612
Energy: 1.2807413518641517
Energy: 1.3609229969030756
Energy: 1.2807413518713364
Energy: 1.1947721472355681
Energy: 1.3383346223871448
Energy: 1.0693344716986468
Energy: 1.3383346223864263
Energy: 1.065909667918988
Energy: 1.157143956664089
Energy: 1.2824719865902285
Energy: 1.1571439566655262
Energy: 1.1675374817786706
Energy: 1.2252269163401064
Energy: 1.1012045876202556
Energy: 1.2252269163372327
Energy: 1.0755386603517185
Energy: 1.212284564451607
Energy: 1.1773619896947656
Energy: 1.212284564451607
Energy: 1.0694017338646875
Energy: 1.2906796940011418
Energy: 1.1628632302012023
Energy: 1.2906796940011418
Energy: 1.131196461231258
Energy: 1.2127277836815573
Energy: 1.0755621275345681
Energy: 1.2127277836815573
Energy: 1.0782588256098733
Energy: 1.145114662955801
Energy: 1.198482167279704
Energy: 1.1451146629565196
Energy: 1.1959924051915152
Energy: 1.1592329454821906
Energy: 1.0835093615484692
Energy: 1.159232945484346
Energy: 1.0694274973119258
Energy: 1.1520394580644302
Energy: 1.144536224119393
Energy: 1.1520394580651483
Energy: 1.1620264137975516
Energy: 1.2806748748846708
Energy: 1.1649805139950842
Energy: 1.2806748748846708
Energy: 1.151602479540203
Energy: 1.1971865810480344
Energy: 1.064615553970774
Energy: 1.1971865810480344
Energy: 1.0887910915103942
Energy: 1.2207283895338736
Energy: 1.0661097907363126
Energy: 1.2207283895331549
Energy: 1.3757945165080598
Energy: 1.2271709521871428
Energy: 1.0726633008357453
Energy: 1.227170952187861
Energy: 1.0950831827378193
Energy: 1.3348560550385107
Energy: 1.2941130210524474
Energy: 1.3348560550385107
Energy: 1.1109515253080486
Energy: 1.0805320749027145
Energy: 1.0644773877310894
Energy: 1.0805320749027145
Energy: 1.173632787599099
Energy: 1.2161716458602763
Energy: 1.1621522119429912
Energy: 1.2161716458609946
Energy: 1.1175933521303179
Energy: 1.282673156453889
Energy: 1.1628311912766072
Energy: 1.2826731564546072
Energy: 1.1241662702542474
Energy: 1.080167653532516
Energy: 1.0633366636342694
Energy: 1.080167653532516
Energy: 1.0876818558577832
Energy: 1.3361488971831836
Energy: 1.337896619223207
Energy: 1.3361488971831836
Energy: 1.348114958579643
Energy: 1.2248542463437675
Energy: 1.071849881424903
Energy: 1.224854246343049
Energy: 1.1027517615359477
Energy: 1.1464939342854374
Energy: 1.0644948325595913
Energy: 1.1464939342854374
Energy: 1.0875853628911871
Energy: 1.2185451532347362
Energy: 1.0636425732931185
Energy: 1.2185451532354548
Energy: 1.1621624633081324
Energy: 1.2825619195108258
Energy: 1.1630362000224324
Energy: 1.2825619195129812
Energy: 1.0781087156583615
Energy: 1.2534903232252055
Energy: 1.384779064607842
Energy: 1.253490323224487

minimum gb energy = 1.0633366636342694 eV
minimum distance =  2.26694846391845 Angstroms
sigma value = 73


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

Energy: 1.1689795292678242
Energy: 1.1663648239161626
Energy: 1.5047823819554467
Energy: 1.1663648239161626
Energy: 1.1613341681786982
Energy: 1.2072709620417377
Energy: 1.1056241176148633
Energy: 1.2072709620405977
Energy: 1.0888178012945744
Energy: 1.1705254048848486
Energy: 1.1002675012196195
Energy: 1.1705254048848486
Energy: 1.0707093514797439
Energy: 1.2579070154431984
Energy: 1.1004338402743468
Energy: 1.2579070154431984
Energy: 1.131561571128596
Energy: 1.1949770675755746
Energy: 1.1436846135986862
Energy: 1.1949770675755746
Energy: 1.1013179374148805
Energy: 1.1221564337160461
Energy: 1.2607387236802745
Energy: 1.1221564337160461
Energy: 1.3801751269953646
Energy: 1.25405122484481
Energy: 1.0871497483447026
Energy: 1.25405122484481
Energy: 1.0800419443414149
Energy: 1.0950838811520396
Energy: 1.2912288904710931
Energy: 1.0950838811520396
Energy: 1.336704637433508
Energy: 1.0960606483753361
Energy: 1.0946093785070474
Energy: 1.0960606483741964
Energy: 1.0885283530162957
Energy: 1.1810783275558208
Energy: 1.0885803087688248
Energy: 1.1810783275558208
Energy: 1.0774703270783181
Energy: 1.096142208908226
Energy: 1.2692186363575373
Energy: 1.096142208908226
Energy: 1.2163729318350582
Energy: 1.2604227692801222
Energy: 1.0707091087041531
Energy: 1.2604227692789822
Energy: 1.1005888243125088
Energy: 1.1808529632289526
Energy: 1.2870279788327885
Energy: 1.1808529632289526
Energy: 1.2854808671987163
Energy: 1.24772994702585
Energy: 1.1033171697240176
Energy: 1.24772994702699
Energy: 1.0691206693766646
Energy: 1.2670187992404214
Energy: 1.2713748730883982
Energy: 1.2670187992404214
Energy: 1.271593822644735
Energy: 1.0958813903724713
Energy: 1.0804580343878927
Energy: 1.0958813903724713
Energy: 1.175709609525174
Energy: 1.173432594929107
Energy: 1.088936406127855
Energy: 1.173432594929107
Energy: 1.1657301900360373
Energy: 1.1652466119078058
Energy: 1.0892174726237895
Energy: 1.1652466119066658
Energy: 1.2097422063028156
Energy: 1.0951939420571173
Energy: 1.078347642460142
Energy: 1.0951939420571173
Energy: 1.1058992346113081
Energy: 1.190826268434722
Energy: 1.345455830482001
Energy: 1.190826268434722
Energy: 1.2617660790168093
Energy: 1.1576025537215595
Energy: 1.1024680148996269
Energy: 1.1576025537215595
Energy: 1.1005286896440318
Energy: 1.199853716864878
Energy: 1.2153820316890134
Energy: 1.199853716864878

minimum gb energy = 1.0691206693766646 eV
minimum distance =  2.28697376271249 Angstroms
sigma value = 7


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

Energy: 1.181331772625363
Energy: 1.1813235637370412
Energy: 1.5369976286941518
Energy: 1.181323563737847
Energy: 1.3171861006941743
Energy: 1.193909383594826
Energy: 1.1197512647963452
Energy: 1.193909383594826
Energy: 1.098036570398022
Energy: 1.1294971152660664
Energy: 1.1236012627786816
Energy: 1.1294971152652604
Energy: 1.1205029544132126
Energy: 1.2497361999151502
Energy: 1.1204181638335864
Energy: 1.2497361999151502
Energy: 1.1093540139210272
Energy: 1.1895392130115339
Energy: 1.1780514335662078
Energy: 1.18953921301234
Energy: 1.110626063559386
Energy: 1.1303074197354324
Energy: 1.2775808786281453
Energy: 1.1303074197346261
Energy: 1.3810951013060808
Energy: 1.2316758486018775
Energy: 1.125712685901071
Energy: 1.2316758486018775
Energy: 1.1104820423053823
Energy: 1.1304143458721236
Energy: 1.3298329922402587
Energy: 1.130414345871318
Energy: 1.248037286163411
Energy: 1.2433945962399917
Energy: 1.1266095079407217
Energy: 1.2433945962415671
Energy: 1.1092479502346904
Energy: 1.2121774442189068
Energy: 1.2732790407175865
Energy: 1.2121774442197129
Energy: 1.1131114759109617
Energy: 1.2877223604750114
Energy: 1.1242276387567292
Energy: 1.2877223604758172
Energy: 1.1444367215915434
Energy: 1.1692189141063465
Energy: 1.1224683169532756
Energy: 1.1692189141071525
Energy: 1.1288044374359805
Energy: 1.2478041018620603
Energy: 1.125467607414977
Energy: 1.2478041018596422
Energy: 1.1425949606381016
Energy: 1.1208729049361872
Energy: 1.1207359876490401
Energy: 1.1208729049361872
Energy: 1.1069570896587893
Energy: 1.3017391140534975
Energy: 1.411820597673318
Energy: 1.3017391140551098
Energy: 1.289947595377095
Energy: 1.1702596322552445
Energy: 1.1229497174992973
Energy: 1.1702596322568566
Energy: 1.1069340631907822
Energy: 1.2033411542236394
Energy: 1.187743365753699
Energy: 1.2033411542244454
Energy: 1.1398102066372158
Energy: 1.1460274697497785
Energy: 1.1223300845149102
Energy: 1.1460274697497785
Energy: 1.10637880285815
Energy: 1.130222993651221
Energy: 1.1258095009618678
Energy: 1.130222993651221
Energy: 1.118048488377641
Energy: 1.2011077485755337
Energy: 1.175329731591668
Energy: 1.2011077485771458
Energy: 1.1174608789173204
Energy: 1.2882558364299148
Energy: 1.1266995391630676
Energy: 1.2882558364299148
Energy: 1.102003631569034
Energy: 1.129806777609729
Energy: 1.3609509401578377
Energy: 1.129806777609729
Energy: 1.3479908948970079
Energy: 1.2152700595426489
Energy: 1.1240172390020209
Energy: 1.2152700595426489
Energy: 1.1836042158995945
Energy: 1.180637277862553
Energy: 1.3190642013867164
Energy: 1.1806372778617469
Energy: 1.1889979585329815
Energy: 1.1896653920110447
Energy: 1.1259119261373791
Energy: 1.1896653920102385
Energy: 1.116599652245083
Energy: 1.2872252586123492
Energy: 1.1414329994714751
Energy: 1.2872252586139612
Energy: 1.0982198204580973
Energy: 1.253699295583264
Energy: 1.2247969924871773
Energy: 1.253699295583264
Energy: 1.1680448549679983
Energy: 1.2004056311421283
Energy: 1.139508670291573
Energy: 1.2004056311421283
Energy: 1.106660954120456
Energy: 1.130107168264736
Energy: 1.214852022538785
Energy: 1.1301071682671537
Energy: 1.3933005288064797
Energy: 1.1375398984581833
Energy: 1.1196634888982302
Energy: 1.137539898458989
Energy: 1.1066473054007706
Energy: 1.130642403413441
Energy: 1.1448232269647176
Energy: 1.130642403415053

minimum gb energy = 1.098036570398022 eV
minimum distance =  2.26432084277241 Angstroms
sigma value = 29


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

Energy: 1.1220258762687383
Energy: 1.0900010418945034
Energy: 1.5639097590890298
Energy: 1.0900010418955954
Energy: 1.0784536629249384
Energy: 1.0910833763533831
Energy: 1.0909874498266448
Energy: 1.0910833763531025
Energy: 1.1238467193640584
Energy: 1.1849364593194616
Energy: 1.0795362825348254
Energy: 1.1849364593188998
Energy: 1.090390660535462
Energy: 1.0792968880942826
Energy: 1.0906589457406837
Energy: 1.0792968880926292
Energy: 1.1228583149265843
Energy: 1.1562738917077586
Energy: 1.123793422402548
Energy: 1.1562738917077586
Energy: 1.0914381522171615
Energy: 1.1867381036585418
Energy: 1.0913789833525769
Energy: 1.1867381036582612
Energy: 1.1237952608491109
Energy: 1.156199512035319
Energy: 1.1229794916674887
Energy: 1.156199512035319
Energy: 1.0907909899606447
Energy: 1.0793162768558702
Energy: 1.0906157061384205
Energy: 1.0793162768564317
Energy: 1.0792073106784648
Energy: 1.1850239699849416
Energy: 1.1123724474988663
Energy: 1.1850239699849416

minimum gb energy = 1.0784536629249384 eV
minimum distance =  2.3090001966087 Angstroms
sigma value = 5


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

Energy: 1.0629008967413336
Energy: 1.0852710785459727
Energy: 1.5291651397122203
Energy: 1.0852710785459727
Energy: 1.2004166927831423
Energy: 1.1361871689592506
Energy: 1.0333544966947343
Energy: 1.136187168960012
Energy: 1.0360593895932235
Energy: 1.0767766663996992
Energy: 1.2156092284759374
Energy: 1.0767766663989375
Energy: 1.0294773391999616
Energy: 1.1349329189554827
Energy: 1.0439459006419063
Energy: 1.1349329189554827
Energy: 1.0511885486381618
Energy: 1.1378046758716676
Energy: 1.246154296440145
Energy: 1.1378046758716676
Energy: 1.0783292050883646
Energy: 1.0878887370810852
Energy: 1.0316782117459677
Energy: 1.0878887370818466
Energy: 1.036335646063772
Energy: 1.137832383834506
Energy: 1.0379391248331973
Energy: 1.1378323838352675
Energy: 1.0365583374129674
Energy: 1.0888840018429407
Energy: 1.03588552286189
Energy: 1.0888840018429407
Energy: 1.0520294613817307
Energy: 1.1384306342819073
Energy: 1.0322858062427818
Energy: 1.1384306342819073
Energy: 1.0503419883686929
Energy: 1.1392728980532358
Energy: 1.0326599380302048
Energy: 1.1392728980532358
Energy: 1.0477735644039143
Energy: 1.1353428985085274
Energy: 1.0364215464590352
Energy: 1.1353428985092886
Energy: 1.0371959211598463
Energy: 1.1531244064627284
Energy: 1.1172559062886076
Energy: 1.1531244064612056
Energy: 1.0780838712341894
Energy: 1.086547879599426
Energy: 1.083749695552016
Energy: 1.0865478795986994
Energy: 1.0516639493551903
Energy: 1.0852342610359906
Energy: 1.2207877998905325
Energy: 1.0852342610359906
Energy: 1.2604724449201803
Energy: 1.1454306545344826
Energy: 1.036413773298621
Energy: 1.1454306545337212
Energy: 1.0399319527265187
Energy: 1.0765599741340615
Energy: 1.0560811225337032
Energy: 1.0765599741340615
Energy: 1.2253408678153508
Energy: 1.0658399471028683
Energy: 1.0394757428527674
Energy: 1.0658399471021072
Energy: 1.0518323356002655
Energy: 1.0870267162565113
Energy: 1.1382102963160932
Energy: 1.0870267162557496
Energy: 1.0375808324953213
Energy: 1.1414794276270488
Energy: 1.034719247936339
Energy: 1.1414794276270488
Energy: 1.0366630334399798
Energy: 1.1674381124205548
Energy: 1.0660820252107381
Energy: 1.1674381124205548
Energy: 1.0323710907641948
Energy: 1.134621905003967
Energy: 1.0469572433022787
Energy: 1.1346219050032056
Energy: 1.0514035461808149
Energy: 1.1374257379342072
Energy: 1.0529189240469397
Energy: 1.1374257379334458
Energy: 1.0333870363880466
Energy: 1.0878358434709288
Energy: 1.03202712943967
Energy: 1.0878358434716902
Energy: 1.0856753640242445
Energy: 1.0872335563109439
Energy: 1.0364736628338505
Energy: 1.0872335563101823
Energy: 1.0930424187072432
Energy: 1.074169942229001
Energy: 1.0348581505382024
Energy: 1.0741699422297624
Energy: 1.0718106447239621
Energy: 1.0857114024190542
Energy: 1.0513570584784244
Energy: 1.0857114024198158
Energy: 1.0328678743047215
Energy: 1.1289069411594843
Energy: 1.0634597708445663
Energy: 1.128906941160246
Energy: 1.0873306199335708
Energy: 1.1376686087967431
Energy: 1.039671808786871
Energy: 1.1376686087944592
Energy: 1.0363810455697866
Energy: 1.0498853709102454
Energy: 1.385303771267841
Energy: 1.0498853709102454
Energy: 1.1553308866393186
Energy: 1.1995537303159782
Energy: 1.0518631917907093
Energy: 1.1995537303159782
Energy: 1.028805411223299
Energy: 1.057157729522206
Energy: 1.2135375338275782
Energy: 1.057157729522206
Energy: 1.2237126895036643
Energy: 1.1053781520969912
Energy: 1.0371201680694748
Energy: 1.1053781520969912
Energy: 1.0414992684640918
Energy: 1.136377265064689
Energy: 1.0252500335559647
Energy: 1.1363772650639274

minimum gb energy = 1.0252500335559647 eV
minimum distance =  2.28434793542126 Angstroms
sigma value = 1


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

Energy: 1.0389441301307625
Energy: 1.0376160688597844
Energy: 1.4977809764911678
Energy: 1.0376160688597844
Energy: 1.2448345052421752
Energy: 1.104911345651627
Energy: 0.987511481339127
Energy: 1.104911345651627
Energy: 0.9680272228832241
Energy: 1.0378884539919917
Energy: 1.1511946506717028
Energy: 1.0378884539930442
Energy: 1.0074144465451718
Energy: 1.1049866140822298
Energy: 0.9885573839528519
Energy: 1.1049866140832825
Energy: 0.968420374285814
Energy: 1.1409872120774696
Energy: 1.2206339401281767
Energy: 1.1409872120764168
Energy: 0.9694593645744441
Energy: 1.1042226768466608
Energy: 0.988592500515606
Energy: 1.1042226768477132
Energy: 0.9686448392777599
Energy: 1.1440759496449566
Energy: 1.041839110972886
Energy: 1.1440759496439037
Energy: 0.9688281774777779
Energy: 1.0428025584926321
Energy: 1.031696371280321
Energy: 1.0428025584926321
Energy: 1.0368641904769387
Energy: 1.0322379790439022
Energy: 1.026300525066772
Energy: 1.0322379790449552
Energy: 1.036856947270689
Energy: 1.0326726289857464
Energy: 1.028933405549264
Energy: 1.0326726289857464
Energy: 0.9689820176909301
Energy: 1.0428008349166737
Energy: 1.0049414877978324
Energy: 1.0428008349166737
Energy: 0.9684705405133296
Energy: 1.1412756408478306
Energy: 1.0419260833189874
Energy: 1.141275640848883
Energy: 0.96928358543314
Energy: 1.1041886970997026
Energy: 0.9885632786577871
Energy: 1.1041886970997026
Energy: 0.9682966283428154
Energy: 1.1408453436021844
Energy: 1.255134892853257
Energy: 1.1408453436021844
Energy: 1.0074480367970653
Energy: 1.104974999365088
Energy: 0.9885992183631256
Energy: 1.1049749993661406
Energy: 0.9680186204761407
Energy: 1.0374992041691986
Energy: 1.062797069965459
Energy: 1.0374992041702515
Energy: 1.2445183061511058
Energy: 1.1051720953915594
Energy: 0.9875556496470168
Energy: 1.1051720953905064
Energy: 1.0389441301307625
Energy: 1.0376160688597844
Energy: 1.0357784809164687
Energy: 1.037616068858732
Energy: 1.2448345052421752
Energy: 1.10491134565268
Energy: 0.987511481339127
Energy: 1.104911345651627
Energy: 0.9680272228821714
Energy: 1.0378884539919917
Energy: 1.4055997527866329
Energy: 1.0378884539919917
Energy: 1.0074144465462243
Energy: 1.104986614084335
Energy: 0.9885573839528519
Energy: 1.104986614084335
Energy: 0.968420374285814
Energy: 1.1409872120774696
Energy: 1.208879345009109
Energy: 1.1409872120774696
Energy: 0.9694593645733914
Energy: 1.1042226768466608
Energy: 0.988592500515606
Energy: 1.1042226768477132
Energy: 0.9686448392788127
Energy: 1.1440759496449566
Energy: 1.0061521576125736
Energy: 1.1440759496439037

minimum gb energy = 0.9680186204761407 eV
minimum distance =  2.29448809608178 Angstroms
sigma value = 17


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

Energy: 1.0261942333920897
Energy: 1.0242161381066537
Energy: 1.473901113124356
Energy: 1.0242161381073043
Energy: 1.1399279865938605
Energy: 1.0093797647857359
Energy: 0.9826573277523448
Energy: 1.0093797647857359
Energy: 0.9853728138485984
Energy: 1.1128810897688026
Energy: 1.2249945876476718
Energy: 1.1128810897694532
Energy: 1.020348777165541
Energy: 0.978177784729746
Energy: 0.978801357139956
Energy: 0.9781777847310473
Energy: 0.9779324424327437
Energy: 1.0943687566885896
Energy: 1.2325566820324017
Energy: 1.0943687566892402
Energy: 0.9697437554061362
Energy: 0.9908552570103831
Energy: 0.9934034730027185
Energy: 0.9908552570142872
Energy: 0.9874140496772725
Energy: 1.078816709390764
Energy: 1.0360259640453633
Energy: 1.078816709390113
Energy: 0.9711895319216974
Energy: 1.065218057503469
Energy: 0.9739378336168539
Energy: 1.065218057503469
Energy: 1.0280919857900126
Energy: 1.058192410012592
Energy: 1.0119647763368296
Energy: 1.0581924100132425
Energy: 1.02551737311544
Energy: 1.0608339002026776
Energy: 0.9846285334423138
Energy: 1.0608339002020268
Energy: 0.9850242341788301
Energy: 1.0413577583331879
Energy: 0.9738200409137566
Energy: 1.0413577583331879
Energy: 0.9885873732552943
Energy: 1.06885698751693
Energy: 0.9778140393318374
Energy: 1.06885698751693
Energy: 0.9699557088763953
Energy: 1.0527805632875527
Energy: 0.9793737589448273
Energy: 1.0527805632875527
Energy: 0.9789130974452438
Energy: 1.0934295870348505
Energy: 1.027506737025374
Energy: 1.093429587035501
Energy: 0.9717992960163655
Energy: 0.9838297460153412
Energy: 1.0332764006097896
Energy: 0.9838297460146905
Energy: 0.9854140826499216
Energy: 1.0138417108946312
Energy: 1.2357819671498058
Energy: 1.0138417108939806
Energy: 0.993640206130639
Energy: 0.9835509795191599
Energy: 0.9790481361878391
Energy: 0.9835509795198106
Energy: 0.9778290255124414
Energy: 1.1237285867677846
Energy: 1.1673912158251045
Energy: 1.1237285867684352
Energy: 1.1306201576260977
Energy: 1.0711747749776408
Energy: 0.9853108750854507
Energy: 1.07117477497699
Energy: 0.9927666527566278
Energy: 1.012677732290213
Energy: 1.0252123641521709
Energy: 1.0126777322889116
Energy: 1.2428282594101354
Energy: 1.0014004806534156
Energy: 0.9788954017069337
Energy: 1.0014004806553676
Energy: 0.9788336423541468
Energy: 1.0663946941470162
Energy: 1.2593207650797182
Energy: 1.0663946941496187
Energy: 1.103092578985444
Energy: 0.9906072697123447
Energy: 0.9931347827498375
Energy: 0.9906072697129954
Energy: 0.9854574265250441
Energy: 1.079378136746756
Energy: 1.1404007153833438
Energy: 1.0793781367461055
Energy: 1.009485013324359
Energy: 1.0257276739947847
Energy: 0.9780476672607169
Energy: 1.0257276739947847
Energy: 0.9787775146958352
Energy: 1.0956747408352412
Energy: 0.9934479081761585
Energy: 1.0956747408352412
Energy: 1.1447655369805252
Energy: 1.0548302270001617
Energy: 0.986013566761121
Energy: 1.0548302270014631
Energy: 1.037251147673547
Energy: 1.1967011011230329
Energy: 0.9718513685909924
Energy: 1.1967011011236837
Energy: 1.0410101259897084
Energy: 1.093761521940398
Energy: 0.9772656103568611
Energy: 1.093761521940398
Energy: 0.9788338884666469
Energy: 1.0525859631557934
Energy: 1.0081797672802526
Energy: 1.0525859631564443
Energy: 0.9787336574504509
Energy: 1.093362565170328
Energy: 0.9885489057086775
Energy: 1.0933625651716294
Energy: 0.9710361651710301
Energy: 1.0370121955074887
Energy: 0.982140952335332
Energy: 1.0370121955061873
Energy: 0.9861383251977469
Energy: 1.0604650817510748
Energy: 1.164203078052089
Energy: 1.0604650817491226
Energy: 1.0086002698331555
Energy: 1.0022527803406989
Energy: 0.9963119510986422
Energy: 1.0022527803400483
Energy: 0.9752078975882623
Energy: 1.0262771654563294
Energy: 1.01051047698652
Energy: 1.0262771654563294
Energy: 1.0153893903874507
Energy: 1.0804085472660325
Energy: 0.9853154890917196
Energy: 1.0804085472666831
Energy: 0.9931188199198795
Energy: 1.1585562250743187
Energy: 0.9705432348587655
Energy: 1.1585562250235655
Energy: 1.2324239206622811
Energy: 1.095971554683347
Energy: 0.9789471506522083
Energy: 1.0959715546820457

minimum gb energy = 0.9697437554061362 eV
minimum distance =  2.291598297137 Angstroms
sigma value = 89


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

Energy: 0.911058030878427
Energy: 0.9104120618970734
Energy: 1.4182783372382644
Energy: 0.9104120618970734
Energy: 0.9125624713319616
Energy: 0.939341220091886
Energy: 0.9214646765942731
Energy: 0.939341220091886
Energy: 0.9198396811834589
Energy: 1.0825226146904412
Energy: 1.263790487746443
Energy: 1.0825226146904412
Energy: 0.9055561899483291
Energy: 0.9395819604645209
Energy: 0.9213739894696057
Energy: 0.9395819604645209
Energy: 0.9114537131601104
Energy: 1.009725485793244
Energy: 0.9186348330330063
Energy: 1.009725485793244
Energy: 0.9121176717687113
Energy: 0.9123114676032741
Energy: 0.9151865318864071
Energy: 0.9123114676032741
Energy: 0.9198206509974908
Energy: 1.082180043665671
Energy: 0.9220659086075208
Energy: 1.082180043665671
Energy: 0.916119268561895
Energy: 1.082806029827085
Energy: 0.9216150673859945
Energy: 1.082806029827085
Energy: 0.9114601756614683
Energy: 1.0126548309396703
Energy: 0.912288761820823
Energy: 1.0126548309396703
Energy: 0.9401104009820745
Energy: 0.9110102146385594
Energy: 0.9150526893123654
Energy: 0.9110102146351543
Energy: 0.910014366806525
Energy: 0.9403500778631251
Energy: 0.9216755693426727
Energy: 0.9403500778631251
Energy: 0.9104852146896487
Energy: 1.0814521075946142
Energy: 0.9212496600281034
Energy: 1.0814521075946142
Energy: 0.9117915796353666
Energy: 0.9146401373985565
Energy: 0.906830492438391
Energy: 0.9146401373985565
Energy: 0.9140272684143379
Energy: 1.0101593264867905
Energy: 0.9139730162052068
Energy: 1.0101593264867905
Energy: 0.9139090777559368
Energy: 0.9146414866885353
Energy: 0.9118931779158157
Energy: 0.9146414866885353

minimum gb energy = 0.9055561899483291 eV
minimum distance =  2.30489716000012 Angstroms
sigma value = 13


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

Energy: 0.8892578898746802
Energy: 0.8491292571375669
Energy: 1.3525783217422538
Energy: 0.8491292571375669
Energy: 1.1587140484200267
Energy: 1.0308874021989727
Energy: 0.8436711077148844
Energy: 1.030887402201827
Energy: 0.8509839143356883
Energy: 0.850173249224936
Energy: 1.0405991684276217
Energy: 0.8501732492242223
Energy: 0.8600319532677958
Energy: 1.0341215926657823
Energy: 0.839292979235008
Energy: 1.0341215926672096
Energy: 0.859492252671604
Energy: 0.9292021127851299
Energy: 0.8620399924494095
Energy: 0.9292021127829891
Energy: 0.8526183779693194
Energy: 0.870548632905313
Energy: 0.8693809185603055
Energy: 0.8705486329045995
Energy: 0.8595497279025068
Energy: 0.8675650149955629
Energy: 1.1369726067065633
Energy: 0.8675650149955629
Energy: 0.8329561372577304
Energy: 1.0339418945651169
Energy: 0.8693030847342671
Energy: 1.0339418945265832
Energy: 0.8592266397460243
Energy: 0.9273793362390584
Energy: 1.0835306395459647
Energy: 0.9273793362397721
Energy: 1.014683899125814
Energy: 1.1040425608706046
Energy: 0.8396925421588007
Energy: 1.1040425608827353
Energy: 0.8593589549697717
Energy: 0.9480766108410492
Energy: 0.8521333724044352
Energy: 0.9480766108410492
Energy: 1.0185678859256244
Energy: 1.1047832287823462
Energy: 0.8393951368617877
Energy: 1.1047832287873414
Energy: 0.8979717960145479
Energy: 0.8686317538890692
Energy: 0.8498783584577785
Energy: 0.8686317538918588
Energy: 1.180481801549102
Energy: 0.947512225414919
Energy: 0.8393724160272079
Energy: 0.9475122254156325
Energy: 0.8594680980141067
Energy: 0.8501553932949212
Energy: 0.8474400262296693
Energy: 0.8501553932934941
Energy: 0.8755115592906548
Energy: 0.9475366604856922
Energy: 0.8431404278265987
Energy: 0.9475366604856922
Energy: 0.8683263264395292
Energy: 0.9237180254477048
Energy: 0.8434915939422554
Energy: 0.9237180254469912
Energy: 0.8648847205368903
Energy: 0.9241062437758433
Energy: 0.8778419729311231
Energy: 0.9241062437779839
Energy: 0.8682849156361004
Energy: 0.8691722381971883
Energy: 0.877765332396481
Energy: 0.8691722381986153
Energy: 0.8683231677748391
Energy: 0.8693646745228979
Energy: 0.8777277223286906
Energy: 0.8693646745236115
Energy: 0.8644656191973282
Energy: 0.9240578114241028
Energy: 0.8778568000100581
Energy: 0.9240578114212484
Energy: 0.8683593327157914
Energy: 0.9234541060828039
Energy: 0.8429737204782091
Energy: 0.9234541060806631
Energy: 0.8747308845102283
Energy: 0.9476673466147316
Energy: 0.8430837260230929
Energy: 0.9476673466125909
Energy: 0.8596165206120011
Energy: 0.8500441623238388
Energy: 0.852437714468376
Energy: 0.8500441623202709
Energy: 1.1807544377169823
Energy: 0.9476382173283949
Energy: 0.8394411948891752
Energy: 0.9476382173269677
Energy: 0.8977855799466726
Energy: 0.8685493637738403
Energy: 0.8519343844395185
Energy: 0.8685493637759811
Energy: 1.132242960690208
Energy: 1.1045938364547536
Energy: 0.8391848683564863
Energy: 1.1045938364511856
Energy: 0.859777655469675
Energy: 0.9480487112434217
Energy: 0.8524307978926973
Energy: 0.9480487112398539
Energy: 1.0144130488427985
Energy: 1.1062539220486471
Energy: 0.8395033493127037
Energy: 1.106253922050074
Energy: 0.859468603558868
Energy: 0.9270997487492304
Energy: 1.1290938090478788
Energy: 0.9270997487478032
Energy: 0.832979722057073
Energy: 1.030478796040846
Energy: 0.8694225577882906
Energy: 1.030478798318354
Energy: 0.859534737442732
Energy: 0.9266183796982157
Energy: 1.1369595324688415
Energy: 0.9266183796989294
Energy: 0.8526082661395531
Energy: 0.8705363601835615
Energy: 0.8693105753685288
Energy: 0.8705363601821343
Energy: 0.8595176262473927
Energy: 0.9292567782727319
Energy: 0.8621731186277984
Energy: 0.9292567782720182
Energy: 0.860187849701741
Energy: 1.030395312674675
Energy: 0.8393692921150793
Energy: 1.0303953126739616

minimum gb energy = 0.8329561372577304 eV
minimum distance =  2.2581659001877 Angstroms
sigma value = 37


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

Energy: 0.9512196527137956
Energy: 0.9504659090708671
Energy: 1.2894844171930395
Energy: 0.9504659090708671
Energy: 1.271688251959992
Energy: 0.8058215893987569
Energy: 0.7749859456296161
Energy: 0.8058215893987569
Energy: 0.9064236684926538
Energy: 0.9291517383858249
Energy: 1.1181025679397505
Energy: 0.9291517383858249
Energy: 0.8978987001123617
Energy: 0.9275468275781371
Energy: 0.77990665423293
Energy: 0.9275468275769094
Energy: 0.7794164630367162
Energy: 0.8053993838679652
Energy: 0.903904453737839
Energy: 0.8053993838679652
Energy: 0.7843511319411179
Energy: 0.9264267457609048
Energy: 0.9081863492867251
Energy: 0.9264267457609048
Energy: 0.7718064652090747
Energy: 0.9618337426182272
Energy: 1.1566268583256685
Energy: 0.961833742659941
Energy: 0.7651290993178552
Energy: 0.8067572671823783
Energy: 0.8095065078904654
Energy: 0.8067572671823783
Energy: 0.7753915304324206
Energy: 0.805469002916267
Energy: 1.1593830916454715
Energy: 0.805469002916267
Energy: 1.1170173193780184
Energy: 0.9176259041541913
Energy: 0.9083936473493411
Energy: 0.9176259041541913
Energy: 0.7794964800818276
Energy: 0.8670109221873962
Energy: 0.9111406466657378
Energy: 0.8670109221861684
Energy: 1.1005679776372688
Energy: 0.8062627934708656
Energy: 0.7799118090739962
Energy: 0.8062627934708656
Energy: 0.9106181795613637
Energy: 0.8053999453000867
Energy: 0.7888925689295191
Energy: 0.8053999453000867
Energy: 1.1670532813650631
Energy: 0.8419115276165883
Energy: 0.7664470991592899
Energy: 0.8419115276165883
Energy: 0.9506146246947756
Energy: 0.9615252444856144
Energy: 0.7666526823350442
Energy: 0.9615252444868422
Energy: 0.9515177917491991
Energy: 0.8059346761717742
Energy: 0.7742974366449518
Energy: 0.8059346761717742
Energy: 0.9108158626773891
Energy: 0.916670447237029
Energy: 0.7621049682710326
Energy: 0.916670447237029
Energy: 0.9126340070631829
Energy: 0.8688233716562116
Energy: 0.7781311384025589
Energy: 0.8688233716562116
Energy: 0.7794042317718197
Energy: 0.8085946698320002
Energy: 0.7759425557327077
Energy: 0.8085946698320002
Energy: 0.7758080874277473
Energy: 0.8069996724224198
Energy: 0.9080229653105497
Energy: 0.8069996724224198

minimum gb energy = 0.7621049682710326 eV
minimum distance =  2.32089350126015 Angstroms
sigma value = 25


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

Energy: 0.8433968605896262
Energy: 0.7055561648353947
Energy: 1.2136670034565138
Energy: 0.7055561648363534
Energy: 1.180138486279362
Energy: 0.9067449650004811
Energy: 0.6972376776756672
Energy: 0.9067449649995226
Energy: 0.7998803982188968
Energy: 0.8000064645104031
Energy: 0.9662466163782901
Energy: 0.8000064645104031
Energy: 0.9857526501063899
Energy: 0.7235033679058777
Energy: 0.6972561332388635
Energy: 0.7235033679068364
Energy: 0.7061853065751367
Energy: 0.9075130856462672
Energy: 0.7893985258423439
Energy: 0.9075130856529782
Energy: 0.7763592148607555
Energy: 0.8002533193578177
Energy: 0.7077694677505003
Energy: 0.8002533193511505
Energy: 0.696896186471577
Energy: 0.691161569252333
Energy: 0.8033269554063196
Energy: 0.691161569252333
Energy: 0.6782131308174835
Energy: 0.828915836277219
Energy: 0.8008073995120466
Energy: 0.8289158362992683
Energy: 0.6963014572965616
Energy: 0.7142674540641433
Energy: 1.2668786846747084
Energy: 0.7142674540651021
Energy: 0.670093885008394
Energy: 0.6962418943751727
Energy: 0.734770565604367
Energy: 0.6962418943761313
Energy: 0.6966665906153628
Energy: 0.6910626711121587
Energy: 1.095851844697209
Energy: 0.6910626711121587
Energy: 0.9617121965496136
Energy: 1.013678676307637
Energy: 0.800955927000263
Energy: 1.0136786759502265
Energy: 0.6983733729313257
Energy: 0.7231047015122462
Energy: 1.0941560339166017
Energy: 0.7231047015122462
Energy: 0.9622678292251513
Energy: 0.7797597439300467
Energy: 0.7076488709311719
Energy: 0.7797597439310053
Energy: 0.7082320995063753
Energy: 0.6918322959138584
Energy: 0.7816430470994485
Energy: 0.6918322959148172
Energy: 1.0593388636147225
Energy: 1.012570553965937
Energy: 0.7000838836407552
Energy: 1.0125705539649783
Energy: 0.8040455318010972
Energy: 0.8292057591429456
Energy: 0.6787988452201704
Energy: 0.8292057591448629
Energy: 1.0185693357458705
Energy: 0.7109843129295115
Energy: 0.6975757316228681
Energy: 0.7109843129295115
Energy: 0.8468955565741872
Energy: 0.7023786305797819
Energy: 0.680083551365213
Energy: 0.7023786305788231
Energy: 1.184113696597111
Energy: 0.9196258316475181
Energy: 0.7000414196133726
Energy: 0.9196258316542287
Energy: 0.8037714590530236
Energy: 1.011782782127944
Energy: 0.6686519731277507
Energy: 1.0117827821269854
Energy: 0.8024035131497083
Energy: 0.7233421236823032
Energy: 0.7008863858768523
Energy: 0.7233421236823032
Energy: 0.7085282603097038
Energy: 0.7789309906724509
Energy: 0.9675781296059685
Energy: 0.7789309906724509
Energy: 0.7793232586251579
Energy: 0.8255962685367001
Energy: 0.7046501676397174
Energy: 0.8255962685367001
Energy: 0.6947682409836058
Energy: 0.9160468004929865
Energy: 1.056580291216784
Energy: 0.9160468004814825
Energy: 0.6754937536574923
Energy: 0.8290847773669549
Energy: 0.805515841475143
Energy: 0.8290847773918805

minimum gb energy = 0.6686519731277507 eV
minimum distance =  2.27393459868777 Angstroms
sigma value = 41


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

Energy: 0.9610604648258626
Energy: 0.6385054215094991
Energy: 1.1564574030800066
Energy: 0.6385054215094991
Energy: 1.2566403417699434
Energy: 0.624876269931626
Energy: 0.6167451133301267
Energy: 0.6248762699300542
Energy: 0.6379884711374525
Energy: 0.6141617834483287
Energy: 1.187595287573322
Energy: 0.6141617834483287
Energy: 0.9512549493652015
Energy: 0.6258850733652073
Energy: 0.6167279233619233
Energy: 0.6258850733644212
Energy: 0.6132286203427666
Energy: 0.9759815133229706
Energy: 0.6187703434812494
Energy: 0.975981513315111
Energy: 0.7915286272141588
Energy: 0.7897577964661422
Energy: 0.616622644406678
Energy: 0.7897577964653563
Energy: 0.6158120069971009
Energy: 0.7909766341898717
Energy: 0.6224841500121187
Energy: 0.7909766341898717
Energy: 0.6023568253080671
Energy: 0.6383976419125996
Energy: 0.6139425380758374
Energy: 0.6383976419125996
Energy: 0.6186942673556322
Energy: 0.7999466636257656
Energy: 0.8827907919240846
Energy: 0.7999466631245409
Energy: 0.6004259898841198
Energy: 0.614564488993901
Energy: 0.6387047053953143
Energy: 0.6145644889923292
Energy: 0.6158662286553885
Energy: 0.6252159192136364
Energy: 1.1121214506213912
Energy: 0.6252159192112785
Energy: 0.6016085229948834
Energy: 0.8011942212007068
Energy: 0.9620715637551267
Energy: 0.8011942222015845
Energy: 0.6185099416596757
Energy: 0.8030010807329644
Energy: 1.1858393178064794
Energy: 0.8030010802772894
Energy: 0.8545879903310718
Energy: 0.7168755107623991
Energy: 0.6386470572716677
Energy: 0.7168755107616132
Energy: 0.6161756253169504
Energy: 0.6250187794561535
Energy: 0.9631494503996656
Energy: 0.6250187794553675
Energy: 0.8483786247654634
Energy: 0.802670687722113
Energy: 0.6139118184897973
Energy: 0.8026706876647742
Energy: 0.618685497081312
Energy: 0.6402395982181088
Energy: 0.8699465870066599
Energy: 0.6402395982173229
Energy: 0.8464308490975919
Energy: 0.7169202161203478
Energy: 0.6166965926485366
Energy: 0.7169202161203478
Energy: 0.61612854108229
Energy: 0.6382565288342722
Energy: 0.6142911639842225
Energy: 0.6382565288342722
Energy: 0.8478725680229325
Energy: 0.8001963692134612
Energy: 0.6206997588482778
Energy: 0.8001963606150108
Energy: 0.640764371914276
Energy: 0.6401695404517259
Energy: 0.6017960098023194
Energy: 0.6401695404517259
Energy: 1.1122300327945633
Energy: 0.654196631048816
Energy: 0.6167837346123205
Energy: 0.6541966310496018
Energy: 0.9624820762181965
Energy: 0.8016872751995238
Energy: 0.6143178825475238
Energy: 0.8016872753495696
Energy: 0.9795039993187427
Energy: 0.7991045437332213
Energy: 0.6217750515815033
Energy: 0.7991079332208817
Energy: 0.641036142354303
Energy: 0.7143745688414657
Energy: 0.6153666202971392
Energy: 0.7143745688406796
Energy: 0.9592983073404344
Energy: 0.6544094021871221
Energy: 0.6167645187266406
Energy: 0.6544094021863361
Energy: 0.6162078021928287
Energy: 0.6378637750534637
Energy: 0.8456826801527558
Energy: 0.6378637750558215
Energy: 0.6165715151058491
Energy: 0.6382203398861342
Energy: 0.6221137895806118
Energy: 0.6382203398861342
Energy: 0.6189735879380069
Energy: 0.7145942984487211
Energy: 0.843892541949813
Energy: 0.7145942984495072
Energy: 0.6039044867725729
Energy: 0.8343533379843731
Energy: 0.61935797489699
Energy: 0.8343533380896552
Energy: 0.6209202654399462
Energy: 0.638355364065089
Energy: 0.8522047322367324
Energy: 0.638355364065089
Energy: 0.6007476290742529
Energy: 0.6381669398338661
Energy: 0.6442159501591478
Energy: 0.638166939836224

minimum gb energy = 0.6004259898841198 eV
minimum distance =  2.3185385751148 Angstroms
sigma value = 15


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

Energy: 0.8657877429310447
Energy: 0.575901594106242
Energy: 1.1188092149460562
Energy: 0.5759015941082394
Energy: 1.2486516746246996
Energy: 0.5729120526791178
Energy: 0.5740149863976105
Energy: 0.5729120526791178
Energy: 0.5945704670858205
Energy: 0.5723969887742605
Energy: 1.1068515277043744
Energy: 0.572396988772929
Energy: 0.9962637794669963
Energy: 0.5732375525132445
Energy: 0.5738660121191299
Energy: 0.5732375525105813
Energy: 0.5719052409813566
Energy: 0.6391272362342425
Energy: 0.5659662514437291
Energy: 0.6391272362322452
Energy: 0.8657655433069278
Energy: 0.5731564457369549
Energy: 0.5740678463393978
Energy: 0.5731564457382866
Energy: 0.5733726578287821
Energy: 0.7213367849551308
Energy: 0.5674831038193581
Energy: 0.7213367854083685
Energy: 0.7180558897673017
Energy: 0.7216683113123182
Energy: 0.5739816177537647
Energy: 0.7216683110035018
Energy: 0.5754136879023516
Energy: 0.5841000942768795
Energy: 0.7921586483874166
Energy: 0.5841000942768795
Energy: 0.5643717604496143
Energy: 0.5731604922184158
Energy: 0.5721626782032259
Energy: 0.5731604922210791
Energy: 0.5734492639764992
Energy: 0.5732821035055068
Energy: 0.9939695961252569
Energy: 0.5732821035081701
Energy: 0.5481691745049446
Energy: 0.5727913306537153
Energy: 0.5949003163406528
Energy: 0.5727913306537153
Energy: 0.5753776105082674
Energy: 0.5847372419009463
Energy: 1.1859091840857154
Energy: 0.5847372419009463
Energy: 0.564588248816047
Energy: 0.5732648346015782
Energy: 0.8667308302200439
Energy: 0.5732648345989149
Energy: 0.57361462178515
Energy: 0.5727317251361657
Energy: 1.1265016269935464
Energy: 0.5727317251368315
Energy: 0.7694557605013513
Energy: 0.5728496161515415
Energy: 0.5953002466703802
Energy: 0.5728496161515415
Energy: 0.5752170377433995
Energy: 0.5843072695429318
Energy: 1.0589529363282897
Energy: 0.5843072695435976
Energy: 0.7654083208804978
Energy: 0.636021668883647
Energy: 0.5721373247265997
Energy: 0.6360216688869761
Energy: 0.5735676942687506
Energy: 0.5724302223498124
Energy: 0.8620705657366113
Energy: 0.5724302223498124
Energy: 0.7578967953455549
Energy: 0.573427742342278
Energy: 0.574026393051673
Energy: 0.5734277423429438
Energy: 0.5753926610231755
Energy: 0.7404997294076687
Energy: 0.7872427623757066
Energy: 0.7404997294269774
Energy: 0.7724754180613131
Energy: 0.5831859158180344
Energy: 0.5772732783165037
Energy: 0.5831859158213635
Energy: 0.5736791140430906
Energy: 0.5725850524371957
Energy: 0.5651667426218054
Energy: 0.5725850524391932
Energy: 1.0501134701578128
Energy: 0.5728986820996036
Energy: 0.5738977446831747
Energy: 0.5728986820976061
Energy: 0.5966586655355682
Energy: 0.5956680726655141
Energy: 0.563486892440094
Energy: 0.5956680726635166
Energy: 1.0038262932471291
Energy: 0.5833402456665471
Energy: 0.5775058123514347
Energy: 0.5833402456672129
Energy: 0.8676077173499485
Energy: 0.5727638957291155
Energy: 0.5632394036709242
Energy: 0.5727638957291155
Energy: 1.1244808574700882
Energy: 0.5722644487138839
Energy: 0.5740246948963404
Energy: 0.572264448716547
Energy: 0.5966476117433005
Energy: 0.658338255401686
Energy: 0.5639820034746199
Energy: 0.658338255401686
Energy: 0.8708895052246549
Energy: 0.5835826744482905
Energy: 0.5774632902258796
Energy: 0.5835826744482905
Energy: 0.5736608163196564
Energy: 0.6347809951242736
Energy: 0.7633619428211226
Energy: 0.6347809951242736
Energy: 0.8594522235390214
Energy: 0.5721754581271793
Energy: 0.5740472515759725
Energy: 0.5721754581278451
Energy: 0.5754772311676453
Energy: 0.6584219315340663
Energy: 0.7621480320850192
Energy: 0.6584219316292776
Energy: 0.5745838906914673
Energy: 0.5946423341197816
Energy: 0.5775247547664998
Energy: 0.594642334115121
Energy: 0.5596417531019661
Energy: 0.6348533388990775
Energy: 0.7693694653083542
Energy: 0.6348533388990775
Energy: 0.56055884359713
Energy: 0.5721587980521433
Energy: 0.5758549220603644
Energy: 0.5721587980534749
Energy: 0.5754663036229074
Energy: 0.6579039949337798
Energy: 1.048546387545442
Energy: 0.6579039949331744

minimum gb energy = 0.5481691745049446 eV
minimum distance =  2.31620302588781 Angstroms
sigma value = 85


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

Energy: 0.8094425898561055
Energy: 0.5554354018420968
Energy: 1.0600240445095561
Energy: 0.5554354018415194
Energy: 1.22991948445797
Energy: 0.552322060075416
Energy: 0.5231511956118401
Energy: 0.5523220600748384
Energy: 0.7781750077283496
Energy: 0.5522182786329459
Energy: 0.5113293388981554
Energy: 0.5522182786364108
Energy: 0.992102404177414
Energy: 0.5522794631206582
Energy: 0.5233069711556166
Energy: 0.5522794631195033
Energy: 0.5521958498104276
Energy: 0.5217221420534203
Energy: 0.48729292936124313
Energy: 0.5217221420534203
Energy: 0.8683280873216714
Energy: 0.5532314860265295
Energy: 0.5230724614258542
Energy: 0.553231486025952
Energy: 0.5208564445883628
Energy: 0.7941007587135713
Energy: 0.5200078558057702
Energy: 0.7941007587129939
Energy: 0.7417891002231844
Energy: 0.6646637299166671
Energy: 0.5230473095566802
Energy: 0.6646637299178221
Energy: 0.5226675089744223
Energy: 0.6506548381939327
Energy: 0.7161856534350649
Energy: 0.6506548382014397
Energy: 0.615119904781013
Energy: 0.6810739510019471
Energy: 0.5213511391877411
Energy: 0.6810739510007922
Energy: 0.5243874852281495
Energy: 0.6653371633599757
Energy: 0.7910088450509964
Energy: 0.6653371633599757
Energy: 0.48726735956716705
Energy: 0.5519868818109974
Energy: 0.5523842908948948
Energy: 0.5519868818109974
Energy: 0.5227401411996736
Energy: 0.5357919978655228
Energy: 0.9575243058344675
Energy: 0.5357919978655228
Energy: 0.4868476959237679
Energy: 0.6654706618672122
Energy: 0.7787023489037382
Energy: 0.6654706618672122
Energy: 0.5245720033057987
Energy: 0.6651795386536755
Energy: 1.1090407963793742
Energy: 0.6651795386611825
Energy: 0.4871806967054586
Energy: 0.5555372713296246
Energy: 0.8101819115927807
Energy: 0.5555372713290471
Energy: 0.5226998979731651
Energy: 0.5358103423235032
Energy: 1.1618262217518784
Energy: 0.5358103423235032
Energy: 0.6698092211426995
Energy: 0.665011921261215
Energy: 0.7786488314076527
Energy: 0.6650119212681446
Energy: 0.5245423332884864
Energy: 0.6649330909867133
Energy: 0.991881399513872
Energy: 0.6649330909947976
Energy: 0.6650274101915243
Energy: 0.5515887546710729
Energy: 0.5524465305807986
Energy: 0.5515887546780026
Energy: 0.5227536585355629
Energy: 0.5357091937739823
Energy: 0.9293511362400275
Energy: 0.5357091937739823
Energy: 0.6640815969436414
Energy: 0.66436571806416
Energy: 0.5213645663532038
Energy: 0.6643657180647374
Energy: 0.5240746431015024
Energy: 0.5515015356691741
Energy: 0.7424815080389855
Energy: 0.5515015356674418
Energy: 0.6774786546433802
Energy: 0.5696074123526867
Energy: 0.5231422209016383
Energy: 0.5696074123526867
Energy: 0.5226982528059511
Energy: 0.551351512435387
Energy: 0.6787735722707928
Energy: 0.551351512435387
Energy: 0.9195122506629059
Energy: 0.6645982925354892
Energy: 0.5243651345903948
Energy: 0.6645982925343341
Energy: 0.5536275801357838
Energy: 0.5515085243216936
Energy: 0.48722441228692664
Energy: 0.5515085243251585
Energy: 0.9413054217514083
Energy: 0.569393601028458
Energy: 0.5232941566479595
Energy: 0.569393601028458
Energy: 0.7798120295943828
Energy: 0.664937761350225
Energy: 0.48880160148409607
Energy: 0.6649377613508024
Energy: 1.1088854677234823
Energy: 0.6650399816538941
Energy: 0.524480398823507
Energy: 0.6650399816510068
Energy: 0.8112344247669072
Energy: 0.551699432399943
Energy: 0.48728224268560993
Energy: 0.551699432399943
Energy: 1.0115862154656576
Energy: 0.5694378112615538
Energy: 0.5229457589219253
Energy: 0.5694378112615538
Energy: 0.7798432569034464
Energy: 0.6652535813331262
Energy: 0.48682253216704713
Energy: 0.6652535813325487
Energy: 0.991929536165613
Energy: 0.6645648715289421
Energy: 0.524959323638092
Energy: 0.6645648681014972
Energy: 0.5538655251321651
Energy: 0.5512683397757728
Energy: 0.6648177584537731
Energy: 0.5512683397746179
Energy: 0.7556874101086243
Energy: 0.5696485779890308
Energy: 0.5233094171022076
Energy: 0.5696485779890308
Energy: 0.5228440479447857
Energy: 0.6647578213940697
Energy: 0.6667470786938113
Energy: 0.6647578213744362
Energy: 0.7422300970773882
Energy: 0.5512666433227199
Energy: 0.5247667650384831
Energy: 0.5512666433515929
Energy: 0.5246688328297119
Energy: 0.5513153309648219
Energy: 0.6770910373118514
Energy: 0.5513153309648219
Energy: 0.49925909352453973
Energy: 0.5877307380716209
Energy: 0.5237679627808016
Energy: 0.5877307380721983
Energy: 0.5257116270202995
Energy: 0.6654057375926536
Energy: 0.9195872539094665
Energy: 0.6654057375909214
Energy: 0.4874718295548616
Energy: 0.5512270221716814
Energy: 0.5544788996132226
Energy: 0.5512270221716814
Energy: 0.5239393042993485
Energy: 0.5512980002842078
Energy: 0.9396842909739148
Energy: 0.5512980002842078

minimum gb energy = 0.48682253216704713 eV
minimum distance =  2.33405836744468 Angstroms
sigma value = 113


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

Energy: 0.015508492887138825
Energy: 0.016466007065616333
Energy: 0.9042539858706946
Energy: 0.016466007065172414
Energy: 0.6650889854233581
Energy: 0.25434078636692414
Energy: 0.2550250628400658
Energy: 0.25434078636692414
Energy: 0.015508492887582746
Energy: 0.016466007065616333
Energy: 1.4444145601137548
Energy: 0.016466007065172414
Energy: 0.6650889854229142
Energy: 0.254340786366061
Energy: 0.2550250628396219
Energy: 0.25434078636778734
Energy: 0.015508492887138825
Energy: 0.016466007065616333
Energy: 1.9751685860763466
Energy: 0.016466007065172414
Energy: 0.6650889854229142
Energy: 0.2543407863664802
Energy: 0.2550250628400658
Energy: 0.25434078636692414

minimum gb energy = 0.015508492887138825 eV
minimum distance =  2.54060817082032 Angstroms
sigma value = 1