Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.122759316663293
mass=55.845
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: 0.012772678465176114
Energy: 0.012892829092956143
Energy: 2.1572891531628784
Energy: 0.012892829093961503
Energy: 0.012892829092956143
Energy: 0.013171300879087819
Energy: 0.4267291483331562
Energy: 0.013171300879087819
Energy: 2.157289153159946
Energy: 0.4267291483331562
Energy: 0.4263812473996503
Energy: 0.4267291483331562
Energy: 0.012892829092956143
Energy: 0.013171300879087819
Energy: 0.4267291483331562
Energy: 0.013171300879087819

minimum gb energy = 0.012772678465176114 eV
minimum distance =  2.47005733464096 Angstroms
sigma value = 1


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

Energy: 1.393895239515936
Energy: 1.2075913331200414
Energy: 0.8998115788716314
Energy: 1.207591333117603
Energy: 1.4254022706611233
Energy: 0.8936873258767312
Energy: 1.0405727793791504
Energy: 0.8936873258767312
Energy: 1.506368203393385
Energy: 0.9043644374456423
Energy: 0.8974619603533637
Energy: 0.9043644374444231
Energy: 1.3117343097708294
Energy: 0.8956932254901965
Energy: 0.9765259356507446
Energy: 0.8956932254889771
Energy: 1.312260550000614
Energy: 0.8955129394313466
Energy: 1.2829569652177872
Energy: 0.8955129394337852
Energy: 1.424608878559054
Energy: 0.8897343684894972
Energy: 0.8888628394675705
Energy: 0.8897343684894972
Energy: 1.0917866786108905
Energy: 1.1412679513649848
Energy: 0.8887690316378111
Energy: 1.1412679513637656
Energy: 0.8944881439351888
Energy: 0.8880871116424992
Energy: 1.274276166914779
Energy: 0.8880871116437186
Energy: 1.0998315283699853
Energy: 1.0346880783515249
Energy: 1.2628650511453143
Energy: 1.0346880783515249
Energy: 1.447236933890035
Energy: 1.1374859984176262
Energy: 1.122147504453247
Energy: 1.1374859984176262
Energy: 0.8926710858475335
Energy: 1.1052438580098227
Energy: 1.26332023823736
Energy: 1.105243858011042
Energy: 0.8923820040590603
Energy: 0.8922249403011996
Energy: 1.7806035147698496
Energy: 0.8922249403011996
Energy: 1.0775653193625219
Energy: 1.0399054007700888
Energy: 1.3158585337927535
Energy: 1.0399054007713082
Energy: 0.90361340120662
Energy: 1.1394138293459475
Energy: 1.353697545028445
Energy: 1.1394138293447282
Energy: 0.9062704105100806
Energy: 0.888273454778763
Energy: 1.4201047437719279
Energy: 0.888273454778763
Energy: 0.9605044021251101
Energy: 0.8882704201420614
Energy: 1.4232408028372245
Energy: 0.888270420140842
Energy: 0.9036414854924667
Energy: 1.1392025842264148
Energy: 1.3560481872964716
Energy: 1.1392025842264148
Energy: 1.0817066954548349
Energy: 1.1049958137195492
Energy: 1.2923298718814666
Energy: 1.1049958137207687
Energy: 0.891733551202278
Energy: 0.8924073435153059
Energy: 1.7991035231179464
Energy: 0.8924073435153059
Energy: 0.8928324208976499
Energy: 1.0394763291813645
Energy: 1.0948207058525954
Energy: 1.0394763291813645
Energy: 1.446210504039204
Energy: 1.1371730182841433
Energy: 1.113744881826837
Energy: 1.1371730182841433
Energy: 1.0934093364198316
Energy: 1.0281273099681099
Energy: 1.2627177648066226
Energy: 1.0281273099681099
Energy: 1.1165127607810343
Energy: 0.888148463265883
Energy: 1.0899773636574246
Energy: 0.8881484632671024
Energy: 1.2587354497668721
Energy: 1.1401505845556228
Energy: 0.8888164602794258
Energy: 1.1401505845556228
Energy: 1.4229901192860699
Energy: 0.8897004240794142
Energy: 0.8888912512746648
Energy: 0.8897004240781949
Energy: 1.3541240408005826
Energy: 0.8942927686400723
Energy: 1.2818759713040242
Energy: 0.8942927686388531
Energy: 1.2839648342552248
Energy: 0.8957213254089298
Energy: 0.9044326849455318
Energy: 0.8957213254101491
Energy: 1.5876813540846313
Energy: 0.9043169014152982
Energy: 0.9234336890672596
Energy: 0.9043169014152982
Energy: 1.426262390383311
Energy: 0.8935464508053131
Energy: 1.0408656236182852
Energy: 0.8935464508053131
Energy: 1.3878542869601351
Energy: 1.1513681847313948
Energy: 0.9046317068884363
Energy: 1.1513681847313948
Energy: 1.4260098452364014
Energy: 0.8934928271508848
Energy: 0.937019242011203
Energy: 0.8934928271508848
Energy: 1.42534188057729
Energy: 0.8915643334478393
Energy: 0.8978479935302273
Energy: 0.8915643334478393
Energy: 1.3126964432246937
Energy: 0.8951622791277339
Energy: 0.9764265127831718
Energy: 0.8951622791277339

minimum gb energy = 0.8880871116424992 eV
minimum distance =  2.3169843688972 Angstroms
sigma value = 1


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

Energy: 1.5029614451943314
Energy: 1.2239095826452706
Energy: 0.9467346220764125
Energy: 1.2239095826424904
Energy: 1.3324665074512334
Energy: 1.0672617267242088
Energy: 1.1180502901113778
Energy: 1.0672617267242088
Energy: 1.3418828970640129
Energy: 0.9393881943537084
Energy: 0.9484790220416326
Energy: 0.9393881943537084
Energy: 0.9231940394849555
Energy: 0.9234320979042052
Energy: 1.1180063750044316
Energy: 0.9234320979014248
Energy: 0.9230555080476497
Energy: 0.9239333903539383
Energy: 1.3844353608130737
Energy: 0.9239333903539383
Energy: 1.342880736131154
Energy: 0.9228478735049508
Energy: 0.9232720320582369
Energy: 0.9228478735049508
Energy: 1.0061763999834612
Energy: 0.9947788174730836
Energy: 0.9231732360418576
Energy: 0.9947788174730836
Energy: 0.9227943992063365
Energy: 0.9229926332109819
Energy: 1.3743325702206382
Energy: 0.9229926332109819
Energy: 1.0062066322658252
Energy: 1.06713985688287
Energy: 1.341856356365993
Energy: 1.0671398568842603
Energy: 1.1183520317754054
Energy: 0.924057507395253
Energy: 0.926824577444306
Energy: 0.924057507395253
Energy: 1.0100052988082702
Energy: 0.923870743810475
Energy: 1.3421490581320727
Energy: 0.9238707438118651
Energy: 1.0100131333935503
Energy: 0.9228119108048723
Energy: 1.7170178082513476
Energy: 0.9228119108048723
Energy: 1.118267195730911
Energy: 1.0668591269556866
Energy: 1.3980273074571377
Energy: 1.0668591269556866
Energy: 1.1182671957267403
Energy: 1.066880947136786
Energy: 1.3984457524608929
Energy: 1.066880947135396
Energy: 1.0100400989504534
Energy: 0.9229169904482967
Energy: 1.7168294719567152
Energy: 0.9229169904482967
Energy: 1.009995053401699
Energy: 0.9239000784997085
Energy: 1.34217410422234
Energy: 0.9239000784997085
Energy: 1.1183520317754054
Energy: 0.9242593815917921
Energy: 0.9268229384738764
Energy: 0.9242593815917921
Energy: 1.0063779318013784
Energy: 1.0672223164107506
Energy: 1.3419629404623654
Energy: 1.0672223164107506
Energy: 0.9227969043207588
Energy: 0.9229914200026568
Energy: 1.3743325702289477
Energy: 0.9229914200012665
Energy: 1.0061590006509464
Energy: 0.994369696065088
Energy: 0.9233567768194526
Energy: 0.9943696960636977
Energy: 1.3415058239030877
Energy: 0.9228660728913728
Energy: 0.9232740090384177
Energy: 0.9228660728913728
Energy: 0.9230228264302569
Energy: 0.9236200875485965
Energy: 1.384435360814464
Energy: 0.9236200875499868
Energy: 0.9231728542972405
Energy: 0.9237415821532052
Energy: 1.1180063749989024
Energy: 0.9237415821573759
Energy: 1.3423161708627567
Energy: 0.9394061512394002
Energy: 0.9481855094287113
Energy: 0.9394061512394002
Energy: 1.3324725641936972
Energy: 1.067295397199938
Energy: 1.1180502901099876
Energy: 1.067295397199938
Energy: 1.5029614451943314
Energy: 1.2239095826411
Energy: 0.9467346227142313
Energy: 1.2239095826424904
Energy: 1.3324665074512334
Energy: 1.0672617267242088
Energy: 1.1180502901113778
Energy: 1.0672617267242088
Energy: 1.3418828970640129
Energy: 0.9393881943537084
Energy: 0.9484790220430228
Energy: 0.9393881943523182
Energy: 0.9231940394835653
Energy: 0.9234320979000347
Energy: 1.1180063750058216
Energy: 0.9234320979042052

minimum gb energy = 0.9227943992063365 eV
minimum distance =  2.30829644904726 Angstroms
sigma value = 25


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

Energy: 1.3281323848769755
Energy: 1.097275898363523
Energy: 1.010937761798624
Energy: 1.0972758983425142
Energy: 1.4354647665305964
Energy: 0.9839184706897791
Energy: 1.1871905658216768
Energy: 0.9839184706897791
Energy: 1.4268868343317247
Energy: 0.9970515764118586
Energy: 1.02468768277777
Energy: 0.9970515764118586
Energy: 1.281852235419895
Energy: 0.9820484195499191
Energy: 1.1051724427303098
Energy: 0.9820484195515351
Energy: 1.2510132107761658
Energy: 0.9818647055846482
Energy: 1.2845665622491567
Energy: 0.981864705586264
Energy: 1.425905094159722
Energy: 0.9833670563682833
Energy: 0.9827425131652042
Energy: 0.9833670563682833
Energy: 0.9958474149240351
Energy: 0.9819711846820488
Energy: 0.9827726210472347
Energy: 0.9819711846820488
Energy: 0.9978775016152507
Energy: 0.9954579429426109
Energy: 1.4523876008416539
Energy: 0.995457942944227
Energy: 1.0838509520984012
Energy: 1.2080729494840872
Energy: 1.2535319047862274
Energy: 1.2080729494840872
Energy: 1.0721760290595403
Energy: 0.9906795705734578
Energy: 1.3151023008951461
Energy: 0.9906795705734578
Energy: 1.0717545929562322
Energy: 1.065370158695743
Energy: 1.4336862286587972
Energy: 1.065370158695743
Energy: 1.0892986280768566
Energy: 0.9954959437215678
Energy: 1.4256589828316513
Energy: 0.9954959437215678
Energy: 1.0720135280276804
Energy: 0.9903188821595239
Energy: 1.2989291995130443
Energy: 0.9903188821579078
Energy: 1.1271644368289935
Energy: 0.9821390730720176
Energy: 1.251967571835388
Energy: 0.9821390730736337
Energy: 0.9948999340330226
Energy: 0.9957398497939423
Energy: 1.6692031155794538
Energy: 0.9957398497939423
Energy: 0.9952029103107369
Energy: 0.982704256456607
Energy: 0.9828521695636498
Energy: 0.982704256456607
Energy: 1.695558681212725
Energy: 0.9835089491139758
Energy: 0.9825762241759637
Energy: 0.9835089491139758
Energy: 1.2513566680589516
Energy: 0.9830853295747056
Energy: 1.2850823290747364
Energy: 0.9830853295747056
Energy: 1.1435194242021576
Energy: 0.9822042301689295
Energy: 1.1052237985263471
Energy: 0.9822042301689295
Energy: 1.2706290903809672
Energy: 0.9829652389474006
Energy: 1.0022611212155546
Energy: 0.9829652389490166
Energy: 1.4350706337010182
Energy: 0.9834728163944257
Energy: 1.0508091055333781
Energy: 0.9834728163944257
Energy: 1.3295348477993734
Energy: 0.9908480750263878
Energy: 1.0271392772059422
Energy: 0.990848075028004
Energy: 1.435109738082961
Energy: 1.1270553995799606
Energy: 1.1870390424469752
Energy: 1.1270553995815769
Energy: 1.426247192841954
Energy: 1.0239556132083958
Energy: 1.0239577946541945
Energy: 1.0239556132083958
Energy: 1.251069126999805
Energy: 0.9818940326094902
Energy: 1.0249909390588468
Energy: 0.9818940326094902

minimum gb energy = 0.9818647055846482 eV
minimum distance =  2.32004425202296 Angstroms
sigma value = 9


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

Energy: 1.2371148112196062
Energy: 1.2352080785107116
Energy: 1.1970653010497687
Energy: 1.2352080785105146
Energy: 1.2169634547293273
Energy: 1.0486076236747377
Energy: 1.0487211152551599
Energy: 1.048607623674168
Energy: 1.292678493659288
Energy: 1.0701113604519013
Energy: 1.0759914566369688
Energy: 1.0701113604524706
Energy: 1.2310804349364914
Energy: 1.0456626849486397
Energy: 1.045529921125246
Energy: 1.0456626849482455
Energy: 1.198918789857634
Energy: 1.0457142250818559
Energy: 1.2930008105998088
Energy: 1.0457142250826226
Energy: 1.6822725069313993
Energy: 1.0456136314896858
Energy: 1.2309989150909475
Energy: 1.04561363149065
Energy: 1.0814179601579696
Energy: 1.045674065165764
Energy: 1.198142135954406
Energy: 1.045674065165589
Energy: 1.1524763708160888
Energy: 1.1524702569753769
Energy: 1.5247407746645163
Energy: 1.1524702569755743
Energy: 1.2803774843592801
Energy: 1.0265268681421775
Energy: 1.0093967787670308
Energy: 1.026526868142747
Energy: 1.2802772514316048
Energy: 1.009669891629211
Energy: 1.0095381938173262
Energy: 1.009669891628817
Energy: 1.0485449557715487
Energy: 1.02671508023786
Energy: 1.5238189203104213
Energy: 1.02671508023786
Energy: 1.1700282518527827
Energy: 1.0100186829677091
Energy: 1.2925311811039013
Energy: 1.0100186829669424
Energy: 1.2989790355442183
Energy: 1.2401435042471396
Energy: 1.2373920492465675
Energy: 1.2401435042471396
Energy: 1.3133578583282008
Energy: 1.1032213318648512
Energy: 1.2307145531661479
Energy: 1.103221331864654
Energy: 1.2373120237859718
Energy: 1.2401227015192342
Energy: 1.2761817515742935
Energy: 1.2401227015132752
Energy: 1.1984812755128538
Energy: 1.009613783484967
Energy: 1.0751907227713056
Energy: 1.0096137834851644
Energy: 1.5378829232831317
Energy: 1.197277335169827
Energy: 1.1525331082746721
Energy: 1.1972773351696298
Energy: 1.2346334235073817
Energy: 1.2348079470672724
Energy: 1.276119354488263
Energy: 1.2348079470670752
Energy: 1.216791758651167
Energy: 1.0480664171498504
Energy: 1.2767830021447322
Energy: 1.0480664171496532
Energy: 1.5374274426159986
Energy: 1.0755098739616467
Energy: 1.0759280339310822
Energy: 1.0755098739614715
Energy: 1.1983014000157994
Energy: 1.1935803325233438
Energy: 1.1524228780335153
Energy: 1.1935803325231684

minimum gb energy = 1.0093967787670308 eV
minimum distance =  2.26690848868589 Angstroms
sigma value = 25


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

Energy: 1.110076744271862
Energy: 1.3545858363275933
Energy: 1.27269768021137
Energy: 1.3545858363354502
Energy: 1.486193007664761
Energy: 1.1933079040933892
Energy: 1.1463546231155353
Energy: 1.1933079040933892
Energy: 1.2996575540851927
Energy: 1.1495690258543256
Energy: 1.1457856156044965
Energy: 1.1495690258547862
Energy: 1.1342344924211585
Energy: 1.1152062628473385
Energy: 1.1481644490998109
Energy: 1.115206262838994
Energy: 1.2355503711683735
Energy: 1.1880770101799187
Energy: 1.4940787417539005
Energy: 1.1880770101806504
Energy: 1.5629669326914062
Energy: 1.0889546269747843
Energy: 1.0887724721827396
Energy: 1.0889546269750012
Energy: 1.1943207978722281
Energy: 1.1134205236116448
Energy: 1.1597523505048977
Energy: 1.1134205236104529
Energy: 1.195637730459504
Energy: 1.204472848743596
Energy: 1.5164326039919545
Energy: 1.2044728487428917
Energy: 1.193921869188568
Energy: 1.0888488268285537
Energy: 1.0883560186687427
Energy: 1.0888488268287975
Energy: 1.2996979990893631
Energy: 1.0888820058751556
Energy: 1.088193893072742
Energy: 1.0888820058753994
Energy: 1.1130625647572985
Energy: 1.1135874825835645
Energy: 1.4313746884868521
Energy: 1.1135874825838086
Energy: 1.1132973102947052
Energy: 1.0882422136164827
Energy: 1.1486289449964775
Energy: 1.0882422136145864
Energy: 1.3693743709457091
Energy: 1.148631051441701
Energy: 1.1490622509259867
Energy: 1.1486310514414841
Energy: 1.4909489016500626
Energy: 1.0882464331615775
Energy: 1.3236021699244507
Energy: 1.0882464331625255
Energy: 1.3055753996939263
Energy: 1.3168139769622873
Energy: 1.3269553286268754
Energy: 1.3168139769629919
Energy: 1.4863517229256435
Energy: 1.1154934020612772
Energy: 1.1485659631645027
Energy: 1.1154934020619816
Energy: 1.1135954477887187
Energy: 1.0915105653899728
Energy: 1.1498229703679612
Energy: 1.0915105653899728

minimum gb energy = 1.088193893072742 eV
minimum distance =  2.28799833493709 Angstroms
sigma value = 17


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

Energy: 1.4216670472872275
Energy: 1.3038663369675438
Energy: 1.2362749952901828
Energy: 1.3038663369688939
Energy: 1.3491246000670785
Energy: 1.1966505976364084
Energy: 1.1921981308074951
Energy: 1.1966505976364084
Energy: 1.1438901933731942
Energy: 1.1324009690273142
Energy: 1.1537907116866668
Energy: 1.1324009690273142
Energy: 1.11901824957829
Energy: 1.118398111070207
Energy: 1.1630190386503363
Energy: 1.1183981110715575
Energy: 1.1478391207738123
Energy: 1.2052654916981247
Energy: 1.386561314899193
Energy: 1.2052654916981247
Energy: 1.5610942287089018
Energy: 1.2850729503522598
Energy: 1.128642465181558
Energy: 1.2850729503522598
Energy: 1.3010465373967326
Energy: 1.1171624020935902
Energy: 1.3855698772771934
Energy: 1.1171624020935902
Energy: 1.1777493420760643
Energy: 1.1174981071989194
Energy: 1.4358044209087415
Energy: 1.1174981071989194
Energy: 1.197194163100966
Energy: 1.1272514053167837
Energy: 1.1248790891604399
Energy: 1.1272514053167837
Energy: 1.424581981208491
Energy: 1.2031354578558513
Energy: 1.1265016695975842
Energy: 1.2031354578558513
Energy: 1.1226031624881916
Energy: 1.121157918965833
Energy: 1.4024547717755114
Energy: 1.121157918965833
Energy: 1.1201694139080793
Energy: 1.1260102233747051
Energy: 1.2605887391672081
Energy: 1.1260102233760554
Energy: 1.424549244316795
Energy: 1.178617592414034
Energy: 1.2141047983009206
Energy: 1.1786175924153843
Energy: 1.119988724883078
Energy: 1.12094615982357
Energy: 1.210627294299531
Energy: 1.12094615982357
Energy: 1.1200872333337712
Energy: 1.2092318132765338
Energy: 1.4578517982842876
Energy: 1.2092318132765338
Energy: 1.3739791217546944
Energy: 1.1254522180044801
Energy: 1.1241945719573907
Energy: 1.1254522180044801
Energy: 1.1766246079645226
Energy: 1.2794471863328625
Energy: 1.125139593595832
Energy: 1.2794471863328625
Energy: 1.166403114557563
Energy: 1.18509207414247
Energy: 1.3711922895329718
Energy: 1.18509207414247
Energy: 1.3010573606898879
Energy: 1.281882868832366
Energy: 1.2501224716039505
Energy: 1.281882868833716
Energy: 1.5212142474646249
Energy: 1.203943436707827
Energy: 1.3707609070791398
Energy: 1.203943436707827
Energy: 1.1278682117997632
Energy: 1.143523953732555
Energy: 1.3923389505259824
Energy: 1.1435239537312047
Energy: 1.1297012681370253
Energy: 1.125827917062793
Energy: 1.144234213339121
Energy: 1.125827917062793
Energy: 1.3742403954043176
Energy: 1.144688923080255
Energy: 1.1439073926776369
Energy: 1.144688923080255
Energy: 1.3761228315198053
Energy: 1.2282890463040015
Energy: 1.3972536920649357
Energy: 1.2282890463040015
Energy: 1.3926934957355663
Energy: 1.2292876304022204
Energy: 1.3944010506392386
Energy: 1.2292876304022204
Energy: 1.3778830211508246
Energy: 1.1445794512148495
Energy: 1.144769099148504
Energy: 1.1445794512148495
Energy: 1.1295217124545585
Energy: 1.1256029973618362
Energy: 1.1309918343198042
Energy: 1.1256029973631867
Energy: 1.1282913975070674
Energy: 1.1281459148759947
Energy: 1.3786446282654525
Energy: 1.1281459148759947
Energy: 1.1430762555261422
Energy: 1.2093164335511628
Energy: 1.3740546908099216
Energy: 1.2093164335511628
Energy: 1.2839402352893974
Energy: 1.2852293288301524
Energy: 1.1263026464540105
Energy: 1.2852293288315026

minimum gb energy = 1.1171624020935902 eV
minimum distance =  2.26268857855453 Angstroms
sigma value = 53


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

Energy: 1.0334728223667826
Energy: 1.0485901375187463
Energy: 1.1676325453344176
Energy: 1.0485901375187463
Energy: 1.0344426844411385
Energy: 1.0765795852960753
Energy: 1.0340239063057266
Energy: 1.076579585296358
Energy: 1.531882547550847
Energy: 1.1384009465044294
Energy: 1.114653784623274
Energy: 1.1384009465041114
Energy: 1.1146472010272637
Energy: 1.1384381675265909
Energy: 1.5345740989356342
Energy: 1.1384381675265909
Energy: 1.0342398223481715
Energy: 1.0768173756872867
Energy: 1.0342263035087806
Energy: 1.0768173756872867
Energy: 2.31600209263762
Energy: 1.0485901375187463
Energy: 1.0334728223667826
Energy: 1.048590137519382
Energy: 1.0340239063060093
Energy: 1.0765795852960753
Energy: 1.034442684441739
Energy: 1.076579585296676
Energy: 1.114653784623592
Energy: 1.1384009465041114
Energy: 1.531882547550847
Energy: 1.1384009465037934
Energy: 1.5345740989356342
Energy: 1.1384381675265909
Energy: 1.114647201025109
Energy: 1.1384381675269089
Energy: 1.0342263035081447
Energy: 1.0768173756869692
Energy: 1.0342398223472529
Energy: 1.0768173756863333
Energy: 1.0334728223671006
Energy: 1.0485901375187463
Energy: 1.1676325466528124
Energy: 1.0485901375190643
Energy: 1.0344426844408203
Energy: 1.0765795852960753
Energy: 1.0340239063066452
Energy: 1.0765795852960753
Energy: 1.5318825475505644
Energy: 1.1384009465037934
Energy: 1.114653784623592
Energy: 1.1384009465047473

minimum gb energy = 1.0334728223667826 eV
minimum distance =  2.26874453905399 Angstroms
sigma value = 9


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

Energy: 1.2726557861235783
Energy: 1.2833719911339245
Energy: 1.335762625052063
Energy: 1.2833719911339245
Energy: 1.4741151032082278
Energy: 1.2481040989457926
Energy: 1.2312096246466901
Energy: 1.248104098944642
Energy: 1.1974928742416922
Energy: 1.1608410928091568
Energy: 1.1596284004981194
Energy: 1.1608410928091568
Energy: 1.2015623447131458
Energy: 1.231101762597533
Energy: 1.2319912664148354
Energy: 1.231101762599834
Energy: 1.2966531333313227
Energy: 1.1553008077499394
Energy: 1.4768347809449043
Energy: 1.1553008077487887
Energy: 1.5208592437255786
Energy: 1.2337022767307253
Energy: 1.2583888918011181
Energy: 1.2337022767307253
Energy: 1.2153756466343166
Energy: 1.2484242928047367
Energy: 1.5363892183006644
Energy: 1.2484242928035858
Energy: 1.15535745875241
Energy: 1.2121725758226607
Energy: 1.2376373768930338
Energy: 1.2121725758226607
Energy: 1.215136930066651
Energy: 1.216936280613638
Energy: 1.215996562569301
Energy: 1.2169362806170896
Energy: 1.2555662522362472
Energy: 1.159490924817212
Energy: 1.2943716222923987
Energy: 1.1594909248183625
Energy: 1.172694837847209
Energy: 1.2309528224862507
Energy: 1.5670109036795075
Energy: 1.2309528224851003
Energy: 1.5855472421424377
Energy: 1.277914843527894
Energy: 1.206649029088545
Energy: 1.2779148435290446
Energy: 1.232119310264941
Energy: 1.1684188715227917
Energy: 1.17021406034508
Energy: 1.1684188715250927
Energy: 1.2454264247327764
Energy: 1.2624583837086496
Energy: 1.3039991384581433
Energy: 1.2624583837086496
Energy: 1.2777124469729984
Energy: 1.2574597073919245
Energy: 1.2072335858380605
Energy: 1.2574597073919245
Energy: 1.550593131171542
Energy: 1.168518684097416
Energy: 1.1728633694214612
Energy: 1.168518684097416
Energy: 1.2593511249196458
Energy: 1.236369141889963
Energy: 1.615393876342652
Energy: 1.236369141889963
Energy: 1.1754131276645992
Energy: 1.2273150692691446
Energy: 1.2914924966890742
Energy: 1.227315069267994
Energy: 1.514429893224541
Energy: 1.2504113004469424
Energy: 1.2143045670638162
Energy: 1.2504113004469424
Energy: 1.2017687074674508
Energy: 1.2494846344585138
Energy: 1.2118321491305115
Energy: 1.2494846344585138
Energy: 1.1570120734515748
Energy: 1.2094640309483873
Energy: 1.4999415212564673
Energy: 1.2094640309495377
Energy: 1.4060691368984841
Energy: 1.2606170713618148
Energy: 1.2557215431104722
Energy: 1.2606170713629652
Energy: 1.349240461862337
Energy: 1.2316131760338638
Energy: 1.2568726853668675
Energy: 1.2316131760338638
Energy: 1.253918087972201
Energy: 1.195760062905176
Energy: 1.5007156859814177
Energy: 1.1957600629063263
Energy: 1.2111089539600066
Energy: 1.2473503530310048
Energy: 1.1835923958779626
Energy: 1.2473503530321557
Energy: 1.3507911276620763
Energy: 1.2250146534082555
Energy: 1.1858271816487447
Energy: 1.225014653407105
Energy: 1.3741824995879384
Energy: 1.2451994760028382
Energy: 1.3130620336093162
Energy: 1.2451994760039888
Energy: 1.2712144121736146
Energy: 1.2456746236493659
Energy: 1.427797402211302
Energy: 1.2456746236505165
Energy: 1.5019826164334402
Energy: 1.2260846127601246
Energy: 1.1982403902421863
Energy: 1.2260846127589737
Energy: 1.2066212360320723
Energy: 1.289296323382619
Energy: 1.1838567649073979
Energy: 1.289296323382619
Energy: 1.1963953441907513
Energy: 1.231800963878914
Energy: 1.49865890316791
Energy: 1.231800963878914
Energy: 1.3500094022013456
Energy: 1.2456192502887466
Energy: 1.259261061743761
Energy: 1.2456192502875962
Energy: 1.5454790884675746
Energy: 1.2428701536244378
Energy: 1.262587412116475
Energy: 1.2428701536244378
Energy: 1.2039180107714316
Energy: 1.2091549238636692
Energy: 1.4887484053088171
Energy: 1.2091549238613681
Energy: 1.2004057636705436
Energy: 1.250198449583712
Energy: 1.211834962468951
Energy: 1.250198449583712

minimum gb energy = 1.1553008077487887 eV
minimum distance =  2.24392565358103 Angstroms
sigma value = 73


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

Energy: 1.385305905158418
Energy: 1.2688443036392807
Energy: 1.4042059226109418
Energy: 1.2688443036390937
Energy: 1.3445142430769865
Energy: 1.2596196149558998
Energy: 1.2706355660513806
Energy: 1.2596196149555265
Energy: 1.230598781351951
Energy: 1.2158866981027099
Energy: 1.1739412205006572
Energy: 1.215886698103249
Energy: 1.201976947668759
Energy: 1.1807027714454166
Energy: 1.2701592998605231
Energy: 1.1807027714457696
Energy: 1.3559871413965678
Energy: 1.1802935234659189
Energy: 1.3137809374110896
Energy: 1.1802935234655663
Energy: 1.649123623525665
Energy: 1.260765150636618
Energy: 1.1845025663155846
Energy: 1.2607651506364312
Energy: 1.2346483387747245
Energy: 1.2455999750556357
Energy: 1.4210850046567702
Energy: 1.2455999750563826
Energy: 1.182298069036707
Energy: 1.1804729947499184
Energy: 1.260122829713253
Energy: 1.1804729947502919
Energy: 1.4069443129446306
Energy: 1.2157653092592993
Energy: 1.3182655107996541
Energy: 1.21576530925876
Energy: 1.2241649437058397
Energy: 1.2156755139267583
Energy: 1.3058571292872037
Energy: 1.2156755139269242
Energy: 1.1804496865625935
Energy: 1.1803237908142328
Energy: 1.5574096859148554
Energy: 1.1803237908146063
Energy: 1.4872472802913503
Energy: 1.265717098975079
Energy: 1.314213894317243
Energy: 1.2657170989743531
Energy: 1.3542420976042957
Energy: 1.2589058790895702
Energy: 1.1818240988334732
Energy: 1.25890587908901
Energy: 1.2305752601194535
Energy: 1.3157986657084424
Energy: 1.570298601552248
Energy: 1.3157986657089815
Energy: 1.1993558798636683
Energy: 1.1802465308174774
Energy: 1.2256486385338294
Energy: 1.1802465308172907
Energy: 1.321549039747431
Energy: 1.2160567676075142
Energy: 1.2097818685246062
Energy: 1.2160567676086138
Energy: 1.3100848520812636
Energy: 1.2704400516907033
Energy: 1.575803526227137
Energy: 1.27044005169089
Energy: 1.3104749803687878
Energy: 1.270223244241315
Energy: 1.5096698555507353
Energy: 1.2702232442405892
Energy: 1.545141866433178
Energy: 1.2168064292705536
Energy: 1.2440023876028095
Energy: 1.21680642927128
Energy: 1.199150657683821
Energy: 1.2667539565141301
Energy: 1.173859873146598
Energy: 1.2667539565144827
Energy: 1.2304932315432322
Energy: 1.2837540686156212
Energy: 1.5718309494486824
Energy: 1.2837540686154554
Energy: 1.3547171853901525
Energy: 1.2658938052488582
Energy: 1.1818276072965286
Energy: 1.2658938052490452

minimum gb energy = 1.173859873146598 eV
minimum distance =  2.23950830795181 Angstroms
sigma value = 7


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

Energy: 1.681415901728705
Energy: 1.4240418149132876
Energy: 1.4792195461641509
Energy: 1.4240418149132876
Energy: 1.5109241807774059
Energy: 1.2796117148656907
Energy: 1.281248447827843
Energy: 1.2796117148656907
Energy: 1.268851395474616
Energy: 1.263073637959531
Energy: 1.2584366827851716
Energy: 1.2630736379582401
Energy: 1.2235016694498568
Energy: 1.1830575454837333
Energy: 1.273794511071204
Energy: 1.1830575454837333
Energy: 1.323718492856997
Energy: 1.209997014642464
Energy: 1.2399811086124777
Energy: 1.2099970146437546
Energy: 1.5638373040463758
Energy: 1.2479423685930384
Energy: 1.2397550560435466
Energy: 1.247942368591777
Energy: 1.305800567370687
Energy: 1.2945288971226536
Energy: 1.6158752783064687
Energy: 1.2945288971226536
Energy: 1.2399410038036531
Energy: 1.2479344484308448
Energy: 1.3092445526857146
Energy: 1.2479344484321355
Energy: 1.5430941044816826
Energy: 1.235573375781072
Energy: 1.240247848089207
Energy: 1.235573375786206
Energy: 1.2641417801012973
Energy: 1.1841899704277208
Energy: 1.222563466188824
Energy: 1.1841899704277208
Energy: 1.2742866996121855
Energy: 1.26424450702384
Energy: 1.4310387511901694
Energy: 1.26424450702384
Energy: 1.5737755288153903
Energy: 1.2622480381167505
Energy: 1.3594160453018882
Energy: 1.2622480381154597
Energy: 1.5687261292865236
Energy: 1.3025729793896388
Energy: 1.3595868329646845
Energy: 1.3025729793909298
Energy: 1.3243419342872025
Energy: 1.3040930267814468
Energy: 1.5038747060263469
Energy: 1.304093026780156
Energy: 1.260851332670336
Energy: 1.2575879942049861
Energy: 1.2226475803258656
Energy: 1.2575879942049861
Energy: 1.5695709125461297
Energy: 1.4010312204489241
Energy: 1.281015754431111
Energy: 1.4010312204502149
Energy: 1.2401792991453817
Energy: 1.2714895284360193
Energy: 1.3088882800567658
Energy: 1.2714895284360193
Energy: 1.2737282845028821
Energy: 1.2107407573855853
Energy: 1.5667314322391348
Energy: 1.2107407573855853
Energy: 1.5687741015013867
Energy: 1.2475079203434145
Energy: 1.2408731946084126
Energy: 1.2475079203421238
Energy: 1.3038711622399772
Energy: 1.2102990828602227
Energy: 1.241481146574464
Energy: 1.2102990828602227
Energy: 1.269478616214386
Energy: 1.3036603040540782
Energy: 1.364981503645134
Energy: 1.3036603040540782
Energy: 1.2225679983649504
Energy: 1.2617174198578989
Energy: 1.2567316449716657
Energy: 1.261717419856608
Energy: 1.5252687652296726
Energy: 1.241568907505655
Energy: 1.2744706794528162
Energy: 1.241568907505655
Energy: 1.504710671729633
Energy: 1.422529052334766
Energy: 1.593656338801594
Energy: 1.422529052334766
Energy: 1.5051610673875278
Energy: 1.2235413530241492
Energy: 1.276212613578788
Energy: 1.2235413530241492
Energy: 1.3311172598234735
Energy: 1.2619576950908278
Energy: 1.2568290163098907
Energy: 1.2619576950908278
Energy: 1.2219374473780547
Energy: 1.1830305716444436
Energy: 1.2750731436667047
Energy: 1.1830305716457346
Energy: 1.3242614794919536
Energy: 1.2110881203130985
Energy: 1.504167613846467
Energy: 1.2110881203118076
Energy: 1.302196675401315
Energy: 1.247877197360568
Energy: 1.2628664581518612
Energy: 1.247877197360568
Energy: 1.5626958376756361
Energy: 1.337494097326043
Energy: 1.5623780799434122
Energy: 1.337494097327334
Energy: 1.2630838020412074
Energy: 1.2476666253792468
Energy: 1.3316229658695482
Energy: 1.2476666253818285

minimum gb energy = 1.1830305716444436 eV
minimum distance =  2.23131205865503 Angstroms
sigma value = 29


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

Energy: 1.1238699670904206
Energy: 1.2766569954812512
Energy: 1.4756021348981376
Energy: 1.2766569954817009
Energy: 1.5046772021444608
Energy: 1.1989583002134983
Energy: 1.176737227304996
Energy: 1.1989583002130488
Energy: 1.3804137522786475
Energy: 1.153556501648816
Energy: 1.1555933458411112
Energy: 1.1535565016483664
Energy: 1.546533644041854
Energy: 1.276825376916153
Energy: 1.1509401994464772
Energy: 1.2768253769179017
Energy: 1.5695150563727551
Energy: 1.2368328476804562
Energy: 1.1506372950044277
Energy: 1.236832847679582
Energy: 1.3808402660912937
Energy: 1.1542960858403466
Energy: 1.1542181396121542
Energy: 1.1542960858403466
Energy: 1.263830036267162
Energy: 1.231495085613928
Energy: 1.4816421768784223
Energy: 1.2314950856143774
Energy: 1.1201028987414443
Energy: 1.2305715150137952
Energy: 1.809877402161699
Energy: 1.2305715150124714
Energy: 1.5040624881932358
Energy: 1.1754124924621636
Energy: 1.2386168253982328
Energy: 1.1754124924599658

minimum gb energy = 1.1201028987414443 eV
minimum distance =  2.34849394052692 Angstroms
sigma value = 5


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

Energy: 1.3490486798203138
Energy: 1.3247934227275577
Energy: 1.7711670428487174
Energy: 1.3247934227263385
Energy: 1.533571352759356
Energy: 1.2042085127034992
Energy: 1.3200546236166675
Energy: 1.2042085127034992
Energy: 1.2238299236046757
Energy: 1.2637383457176405
Energy: 1.222970328445922
Energy: 1.2637383457176405
Energy: 1.2238480882192293
Energy: 1.2323254230175857
Energy: 1.3610523565260106
Energy: 1.2323254230200242
Energy: 1.1726801143401921
Energy: 1.2417018007318807
Energy: 1.1993286312509477
Energy: 1.2417018007318807
Energy: 1.2617299551485204
Energy: 1.25713579638469
Energy: 1.203085908073224
Energy: 1.25713579638469
Energy: 1.3005910573693715
Energy: 1.2378437243260243
Energy: 1.374594732999601
Energy: 1.2378437243260243
Energy: 1.3027507015715927
Energy: 1.252849669269275
Energy: 1.4228621236700785
Energy: 1.252849669269275
Energy: 1.4721298452471683
Energy: 1.2071228533892056
Energy: 1.3082698982541676
Energy: 1.207122853394083
Energy: 1.4757778953261917
Energy: 1.2082212982800642
Energy: 1.3100388541721342
Energy: 1.2082212982800642
Energy: 1.2225393148976347
Energy: 1.252621169312559
Energy: 1.2445482551250064
Energy: 1.252621169312559
Energy: 1.22260204637686
Energy: 1.2674378641137034
Energy: 1.1923857974786136
Energy: 1.2674378641149227
Energy: 1.3688785460887853
Energy: 1.275816993349932
Energy: 1.1939925252802193
Energy: 1.2758169933523704
Energy: 1.1968329902502073
Energy: 1.242944196979096
Energy: 1.1941423267926845
Energy: 1.242944196979096
Energy: 1.2595920096202553
Energy: 1.323085690006253
Energy: 1.4336443997673824
Energy: 1.3230856900086916
Energy: 1.4774489653959513
Energy: 1.30581392405026
Energy: 1.3033310548807284
Energy: 1.30581392405026
Energy: 1.4601374208357503
Energy: 1.237941075816862
Energy: 1.4468177250437437
Energy: 1.2379410758193006
Energy: 1.224489840714588
Energy: 1.261690810144122
Energy: 1.4240323121689304
Energy: 1.261690810144122
Energy: 1.3297657658105484
Energy: 1.2144657055180215
Energy: 1.2588922919113883
Energy: 1.2144657055143637
Energy: 1.2137341207634558
Energy: 1.2608011321535526
Energy: 1.2027461763771943
Energy: 1.2608011321523336
Energy: 1.2246693696205133
Energy: 1.233600942685386
Energy: 1.2323056766897573
Energy: 1.2336009426829475
Energy: 1.3527298902535585
Energy: 1.2409822340039316
Energy: 1.2188406240703507
Energy: 1.2409822340039316
Energy: 1.2241241836941588
Energy: 1.264777358831328
Energy: 1.2183402663926002
Energy: 1.2647773588325473
Energy: 1.4236781388025077
Energy: 1.213157992451741
Energy: 1.5941642429638356
Energy: 1.2131579924541795
Energy: 1.4193862888405044
Energy: 1.213005213389886
Energy: 1.5749338127552561
Energy: 1.2130052133886668
Energy: 1.368152151788211
Energy: 1.2414980514062046
Energy: 1.2152767637007489
Energy: 1.2414980514049854
Energy: 1.2852909848358947
Energy: 1.242987304559756
Energy: 1.2182090160934598
Energy: 1.242987304559756
Energy: 1.240264153308691
Energy: 1.2388079556110287
Energy: 1.4378217714895674
Energy: 1.2388079556098095
Energy: 1.2144285919430284
Energy: 1.2642369930957225
Energy: 1.2004840915807342
Energy: 1.2642369930945032
Energy: 1.4390268099895007
Energy: 1.3310800887898746
Energy: 1.283415128434927
Energy: 1.3310800887910383
Energy: 1.2579970902155333
Energy: 1.2603877005070727
Energy: 1.3315470840361654
Energy: 1.2603877005070727
Energy: 1.3251554353638084
Energy: 1.1916902738035562
Energy: 1.5340283925759455
Energy: 1.1916902738011177
Energy: 1.6391036724901937
Energy: 1.2894870189838226
Energy: 1.3078701790529608
Energy: 1.2894870189850418

minimum gb energy = 1.1726801143401921 eV
minimum distance =  2.23712358943029 Angstroms
sigma value = 1


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

Energy: 1.3278878791459543
Energy: 1.266838910271665
Energy: 1.7260383633046295
Energy: 1.266838910271665
Energy: 1.3305346991737825
Energy: 1.2148327593027164
Energy: 1.2871017683197608
Energy: 1.2148327593027164
Energy: 1.269247747126534
Energy: 1.2467128722860836
Energy: 1.3851823372630574
Energy: 1.2467128722860836
Energy: 1.248132286423582
Energy: 1.2168735071338594
Energy: 1.322023855720361
Energy: 1.2168735071338594
Energy: 1.1701197012621156
Energy: 1.1916272226852218
Energy: 1.1728001529456975
Energy: 1.191627222683536
Energy: 1.1693797244246682
Energy: 1.1689534123694834
Energy: 1.168289347660152
Energy: 1.1689534123677974
Energy: 1.2955744090662045
Energy: 1.2102231968831278
Energy: 1.303114516900512
Energy: 1.2102231968831278
Energy: 1.2958890199119042
Energy: 1.2097868798148816
Energy: 1.2443838963034686
Energy: 1.2097868798148816
Energy: 1.2625398636840015
Energy: 1.1918867565850884
Energy: 1.1960860259039916
Energy: 1.1918867565850884
Energy: 1.2625398636603993
Energy: 1.1914101933113017
Energy: 1.195839588147596
Energy: 1.191410193309616
Energy: 1.295465170248568
Energy: 1.2101347996984442
Energy: 1.2443838962697513
Energy: 1.2101347996984442
Energy: 1.2956188198556071
Energy: 1.2104009219258294
Energy: 1.303114516902198
Energy: 1.2104009219258294
Energy: 1.1746734786421733
Energy: 1.2235327939688836
Energy: 1.1688346944344576
Energy: 1.2235327939789988
Energy: 1.1696989507453026
Energy: 1.1935074972188042
Energy: 1.1727335492137632
Energy: 1.1935074972188042
Energy: 1.2029936746851684
Energy: 1.2161065194826435
Energy: 1.3469939801377948
Energy: 1.2161065194826435
Energy: 1.2692477471248482
Energy: 1.2463640592703387
Energy: 1.329341710456802
Energy: 1.2463640592703387
Energy: 1.3044448706148064
Energy: 1.1679451089304684
Energy: 1.3129803494619625
Energy: 1.1679451089422697
Energy: 1.3278878791459543
Energy: 1.266838910271665
Energy: 1.7260383633029432
Energy: 1.266838910271665
Energy: 1.3305346991754683
Energy: 1.2148327593027164
Energy: 1.2871017683197608
Energy: 1.2148327593027164
Energy: 1.269247747126534
Energy: 1.2467128722877696
Energy: 1.3851823372613716
Energy: 1.2467128722860836
Energy: 1.2481322864218958
Energy: 1.2168735071338594
Energy: 1.322023855720361
Energy: 1.2168735071338594
Energy: 1.1701197012621156
Energy: 1.191627222683536
Energy: 1.1728001529456975
Energy: 1.191627222683536
Energy: 1.1693797244246682
Energy: 1.1689534123694834
Energy: 1.168289347660152
Energy: 1.1689534123694834
Energy: 1.2955744090662045
Energy: 1.2102231968831278
Energy: 1.303114516903884
Energy: 1.2102231968831278

minimum gb energy = 1.1679451089304684 eV
minimum distance =  2.22449549717333 Angstroms
sigma value = 17


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

Energy: 1.385424403538965
Energy: 1.2129494901955398
Energy: 1.7645413343027292
Energy: 1.2129494901955398
Energy: 1.4505792605452668
Energy: 1.2618375412932803
Energy: 1.373514168989221
Energy: 1.2618375412974483
Energy: 1.1859934417909006
Energy: 1.2086500491882484
Energy: 1.2152846310560925
Energy: 1.2086500491882484
Energy: 1.2253491524579525
Energy: 1.1868070265532056
Energy: 1.359537538168538
Energy: 1.1868070265521635
Energy: 1.2001464893828426
Energy: 1.2017669276782887
Energy: 1.198138820458177
Energy: 1.201766927677247
Energy: 1.2110170514946126
Energy: 1.2046813262816072
Energy: 1.1945040092993837
Energy: 1.2046813262826492
Energy: 1.202848209369485
Energy: 1.205159657007733
Energy: 1.1659300422153476
Energy: 1.205159657007733
Energy: 1.2028795985498044
Energy: 1.205098456753962
Energy: 1.1991283537083508
Energy: 1.205098456753962
Energy: 1.4367957238222422
Energy: 1.1928667237925221
Energy: 1.3503042445286169
Energy: 1.19286672379148
Energy: 1.4850361361309616
Energy: 1.1923315349253414
Energy: 1.3473401394498605
Energy: 1.1923315349253414
Energy: 1.2489049669410492
Energy: 1.1878346848941945
Energy: 1.4567739445165775
Energy: 1.1878346848941945
Energy: 1.2470594683272183
Energy: 1.187797316482123
Energy: 1.374306759849016
Energy: 1.187797316482123
Energy: 1.2126808596501513
Energy: 1.2089035031525337
Energy: 1.20458786520304
Energy: 1.2089035031525337
Energy: 1.175136167360342
Energy: 1.2021014919461195
Energy: 1.2044531032680041
Energy: 1.2021014919450774
Energy: 1.1813528217674643
Energy: 1.2196683459910436
Energy: 1.2082812325254675
Energy: 1.2196683459920856
Energy: 1.18446649575041
Energy: 1.203326807057949
Energy: 1.1834517752205302
Energy: 1.2033268070589909
Energy: 1.3411101656432975
Energy: 1.1733087371448436
Energy: 1.2419509875847052
Energy: 1.1733087371542215
Energy: 1.2433639844882383
Energy: 1.2122646554936076
Energy: 1.3638737255171791
Energy: 1.2122646554936076
Energy: 1.34604329911898
Energy: 1.178392976837287
Energy: 1.351954033733965
Energy: 1.1783929768393708
Energy: 1.5812015983723344
Energy: 1.194094657425108
Energy: 1.2548491394477639
Energy: 1.194094657425108
Energy: 1.2916192781562745
Energy: 1.2778996116386778
Energy: 1.4404589241597825
Energy: 1.2778996116345096
Energy: 1.196550102063872
Energy: 1.200881784891612
Energy: 1.1656658881707878
Energy: 1.200881784891612
Energy: 1.337492032417774
Energy: 1.2063573105961343
Energy: 1.2452287939231592
Energy: 1.2063573105961343
Energy: 1.1892785672416581
Energy: 1.2040664070323137
Energy: 1.1618555256019454
Energy: 1.2040664070323137
Energy: 1.207062563305707
Energy: 1.2240863002023878
Energy: 1.3934963603514432
Energy: 1.2240863002023878
Energy: 1.1872749014374353
Energy: 1.2015247656373056
Energy: 1.207786267561251
Energy: 1.2015247656383474
Energy: 1.1904299355376777
Energy: 1.202415184029861
Energy: 1.2426496388863721
Energy: 1.202415184029861
Energy: 1.3632014709482556
Energy: 1.170800660582448
Energy: 1.5647412087683548
Energy: 1.1708006605834897
Energy: 1.3547035125017155
Energy: 1.170894822811473
Energy: 1.5634147479439855
Energy: 1.1708948228135572
Energy: 1.1861622553087092
Energy: 1.2017993886839518
Energy: 1.2078930174847078
Energy: 1.2017993886839518
Energy: 1.1884145693881614
Energy: 1.202223490830207
Energy: 1.2429162187625251
Energy: 1.202223490830207
Energy: 1.1861255166240308
Energy: 1.2178033474606318
Energy: 1.2078543067003764
Energy: 1.2178033474595897
Energy: 1.1946694045507924
Energy: 1.204207903987361
Energy: 1.1616283629866757
Energy: 1.2042079039863192
Energy: 1.3019988309801132
Energy: 1.2072771920167729
Energy: 1.1659241720805886
Energy: 1.2072771920157308
Energy: 1.203307920889106
Energy: 1.2010432267834354
Energy: 1.2063415653181158
Energy: 1.2010432267834354
Energy: 1.3082617682464979
Energy: 1.1680401051520544
Energy: 1.3634232430099122
Energy: 1.1680401051520544
Energy: 1.5986626350766338
Energy: 1.1932125780270135
Energy: 1.2547611176931504
Energy: 1.1932125780280558
Energy: 1.3617826171701382
Energy: 1.179726610550704
Energy: 1.4369044172565364
Energy: 1.1797266105569562

minimum gb energy = 1.1616283629866757 eV
minimum distance =  2.23918210805033 Angstroms
sigma value = 89


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

Energy: 1.2742762630493285
Energy: 1.1368795342990357
Energy: 1.4001615157235439
Energy: 1.136879534298509
Energy: 1.2325239884959038
Energy: 1.3223227866125753
Energy: 1.255911784522973
Energy: 1.3223227866117389
Energy: 1.2335878853923725
Energy: 1.1271679512318629
Energy: 1.1421284528917621
Energy: 1.127167951231615
Energy: 1.1537429211829728
Energy: 1.142658705321668
Energy: 1.3010557692574416
Energy: 1.142658705321668
Energy: 1.1559325976002441
Energy: 1.142563737407337
Energy: 1.124964767076146
Energy: 1.1425637374070583
Energy: 1.147121258974402
Energy: 1.2724720540078314
Energy: 1.2078019876265629
Energy: 1.2724720540086678
Energy: 1.1468949821726875
Energy: 1.1275472804939728
Energy: 1.1249360788143419
Energy: 1.1275472804939728
Energy: 1.1487950677314689
Energy: 1.1547665295201064
Energy: 1.2527384085354123
Energy: 1.1547665295195797
Energy: 1.2343454297565417
Energy: 1.142889419226425
Energy: 1.1275549102382976
Energy: 1.142889419226425
Energy: 1.1479812598307337
Energy: 1.1424418863210877
Energy: 1.1273184206970477
Energy: 1.1424418863210877
Energy: 1.230488581884637
Energy: 1.127384710793065
Energy: 1.2640713974342197
Energy: 1.127384710793065
Energy: 1.230494423745432
Energy: 1.1277830775489468
Energy: 1.2641068225741223
Energy: 1.1277830775489468
Energy: 1.234428853956524
Energy: 1.1429869611236871
Energy: 1.1279356134625915
Energy: 1.1429869611245236
Energy: 1.2331516541909795
Energy: 1.142415993372195
Energy: 1.1271221051217086
Energy: 1.142415993372195
Energy: 1.1465791373275858
Energy: 1.1432229579108721
Energy: 1.1817233847895092
Energy: 1.1432229579108721

minimum gb energy = 1.1249360788143419 eV
minimum distance =  2.24017150188851 Angstroms
sigma value = 13


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

Energy: 1.1934420096697744
Energy: 1.0981917635660376
Energy: 1.4015384903147428
Energy: 1.0981917635671805
Energy: 1.1730943859510432
Energy: 1.2411180057205249
Energy: 1.142950214338986
Energy: 1.2411180057205249
Energy: 1.1576339536520204
Energy: 1.0690120562927707
Energy: 1.1506140133436864
Energy: 1.0690120562927707
Energy: 1.13318852891423
Energy: 1.1414482466857199
Energy: 1.1448767365157713
Energy: 1.141448246689148
Energy: 1.0950326744309662
Energy: 1.0774861754459912
Energy: 1.106877904143439
Energy: 1.0774861754459912
Energy: 1.2017076971087681
Energy: 1.0780026540671324
Energy: 1.1360076083995616
Energy: 1.0780026540671324
Energy: 1.1038399093293516
Energy: 1.0690889588225783
Energy: 1.1060388051574657
Energy: 1.0690889588225783
Energy: 1.1101571051654946
Energy: 1.100155307227907
Energy: 1.1046630294098407
Energy: 1.100155307227907
Energy: 1.101746869519641
Energy: 1.0772337302838189
Energy: 1.0946190618419933
Energy: 1.0772337302826762
Energy: 1.2707308253159315
Energy: 1.0779957392174375
Energy: 1.1444432705249379
Energy: 1.0779957392174375
Energy: 1.1452157118409998
Energy: 1.0690813730484814
Energy: 1.151944727830111
Energy: 1.0690813730484814
Energy: 1.1295593311185452
Energy: 1.0713695489263535
Energy: 1.1017733248398744
Energy: 1.0713695489274961
Energy: 1.1612085673965595
Energy: 1.0917503910845803
Energy: 1.1745257871988912
Energy: 1.0917503910834376
Energy: 1.179772734945271
Energy: 1.0950182866688227
Energy: 1.2672401752694167
Energy: 1.0950182866688227
Energy: 1.145198283042854
Energy: 1.0680519645908007
Energy: 1.151073413179876
Energy: 1.0680519645896578
Energy: 1.1296728048993427
Energy: 1.0683175688157236
Energy: 1.1569357761727799
Energy: 1.0683175688157236
Energy: 1.161627505970562
Energy: 1.0772231269728114
Energy: 1.0947626730968811
Energy: 1.0772231269739543
Energy: 1.107128894045605
Energy: 1.0778347851002479
Energy: 1.154622560026605
Energy: 1.0778347851002479
Energy: 1.1038848384258484
Energy: 1.0676570481673402
Energy: 1.11047285966874
Energy: 1.0676570481684828
Energy: 1.110173964794963
Energy: 1.0676182072252876
Energy: 1.103846969011799
Energy: 1.067618207224145
Energy: 1.1546199905600631
Energy: 1.0778639111870545
Energy: 1.1080049766741102
Energy: 1.0778639111870545
Energy: 1.0945714363312735
Energy: 1.0772381494894636
Energy: 1.1616275059762757
Energy: 1.0772381494906063
Energy: 1.1569357761727799
Energy: 1.0685220041539436
Energy: 1.1296820615549232
Energy: 1.0685220041550862
Energy: 1.151073413179876
Energy: 1.0680328048685621
Energy: 1.145200848541284
Energy: 1.0680328048685621
Energy: 1.267114821432559
Energy: 1.0948262967711577
Energy: 1.1797499663113633
Energy: 1.0948262967723006
Energy: 1.1746985916683883
Energy: 1.0917144801535756
Energy: 1.1612085673965595
Energy: 1.0917144801535756
Energy: 1.1012925284165687
Energy: 1.0712053831007795
Energy: 1.1295938846206328
Energy: 1.071205383103065
Energy: 1.151944727830111
Energy: 1.0688153476013915
Energy: 1.1452018036691027
Energy: 1.0688153476013915
Energy: 1.1444510345387435
Energy: 1.077992073830377
Energy: 1.270830582259039
Energy: 1.0779920738315196
Energy: 1.0945355860288437
Energy: 1.077220642631132
Energy: 1.101885783470762
Energy: 1.0772206426322748
Energy: 1.105001427075057
Energy: 1.100281548637552
Energy: 1.1107662751670695
Energy: 1.100281548636409
Energy: 1.1059544607850553
Energy: 1.069095617928737
Energy: 1.1038344909102888
Energy: 1.069095617928737
Energy: 1.1360708529178418
Energy: 1.0777667658451713
Energy: 1.2016618918983586
Energy: 1.0777667658451713
Energy: 1.1068285327762393
Energy: 1.0774861941923244
Energy: 1.0948773011639914
Energy: 1.077486194193467
Energy: 1.1448576952133633
Energy: 1.1414069710217198
Energy: 1.1329847245657105
Energy: 1.141406971020577

minimum gb energy = 1.067618207224145 eV
minimum distance =  2.25665932992078 Angstroms
sigma value = 37


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

Energy: 1.204470701786036
Energy: 1.0442340267220938
Energy: 1.3406942639465653
Energy: 1.0442340267222947
Energy: 1.2212307715624797
Energy: 1.2839104486273334
Energy: 1.1461786113034256
Energy: 1.2839104486265513
Energy: 1.130018090609813
Energy: 1.0021150302404889
Energy: 1.134153267229243
Energy: 1.0021150302406903
Energy: 1.1680869320070792
Energy: 1.0266537402067915
Energy: 1.1460419967559963
Energy: 1.0266537402067915
Energy: 1.0784606576475315
Energy: 1.001655912541034
Energy: 1.124183461438051
Energy: 1.0016559125406543
Energy: 1.1682181774697533
Energy: 1.0156030704773782
Energy: 1.0896954731163018
Energy: 1.0156030704763952
Energy: 1.0612128680794481
Energy: 1.0024621415137536
Energy: 1.0658551253896302
Energy: 1.0024621415141335
Energy: 1.1111405095669293
Energy: 1.3635894968355573
Energy: 1.1272412561430074
Energy: 1.3635894968355573
Energy: 1.0594024723830413
Energy: 1.0009134799297994
Energy: 1.0839556837404305
Energy: 1.0009134799294195
Energy: 1.1677266807187174
Energy: 1.0161237958787852
Energy: 1.080585282572212
Energy: 1.0161237958793659
Energy: 1.0672571190095461
Energy: 1.0005147767294975
Energy: 1.1235174245560287
Energy: 1.0005147767298774
Energy: 1.0673688666091847
Energy: 1.016203738884245
Energy: 1.2316274137904388
Energy: 1.016203738884245
Energy: 1.1303065374970949
Energy: 1.0006267444612889
Energy: 1.1245155351230653
Energy: 1.000626744461088
Energy: 1.0613642624700566
Energy: 1.000398883147383
Energy: 1.1234308153958075
Energy: 1.000398883147383
Energy: 1.1666466581245587
Energy: 1.0420458229747571
Energy: 1.1229087755708413
Energy: 1.0420458229747571
Energy: 1.1450051702205677
Energy: 1.0432728021036033
Energy: 1.1199318494430224
Energy: 1.0432728021040052
Energy: 1.1301429601440067
Energy: 1.0003896738239693
Energy: 1.1335110951239242
Energy: 1.0003896738243714
Energy: 1.1287191390878626
Energy: 1.000558204641732
Energy: 1.1233918941635135
Energy: 1.0005582046421342
Energy: 1.0672688553449554
Energy: 1.0002112748584997
Energy: 1.1237038866308937
Energy: 1.0002112748584997
Energy: 1.0675357804590173
Energy: 1.0168809486567563
Energy: 1.132468151340946
Energy: 1.016880948656555

minimum gb energy = 1.0002112748584997 eV
minimum distance =  2.25068802021274 Angstroms
sigma value = 25


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

Energy: 1.1323389473487195
Energy: 0.9455667679286974
Energy: 1.1989452292940865
Energy: 0.9455667679286974
Energy: 1.0701757186397762
Energy: 1.1628972889276212
Energy: 1.039515945374961
Energy: 1.1628972889260862
Energy: 1.031590102007629
Energy: 0.9275134626077268
Energy: 1.0915503440202916
Energy: 0.9275134626077268
Energy: 1.0422128468334424
Energy: 0.9745532862631956
Energy: 1.0955238324430379
Energy: 0.9745532862631956
Energy: 1.0298090925500774
Energy: 0.90639576105809
Energy: 1.010765425654869
Energy: 0.9063957610596252
Energy: 1.0418925855373506
Energy: 0.9522056199912655
Energy: 1.0486308381346274
Energy: 0.9522056199912655
Energy: 0.9845821343306582
Energy: 0.9083585820084289
Energy: 1.0104661033017415
Energy: 0.908358582009964
Energy: 1.0189562904997111
Energy: 0.9117613306950588
Energy: 1.0683168773280656
Energy: 0.9117613306965592
Energy: 0.9713930104818612
Energy: 0.906129026165736
Energy: 0.9845715934928181
Energy: 0.9061290261642007
Energy: 1.035771757496785
Energy: 1.2742859943089624
Energy: 1.0091495949735074
Energy: 1.2742859943089624
Energy: 0.9730399010962324
Energy: 0.9087255540291644
Energy: 0.9849775380684914
Energy: 0.9087255540291644
Energy: 1.0178220576162367
Energy: 0.9151308525095107
Energy: 1.0677179829637626
Energy: 0.9151308525095107
Energy: 0.9770809857390109
Energy: 0.9060223964771952
Energy: 1.0055587052698074
Energy: 0.9060223964771952
Energy: 1.018070865860749
Energy: 1.0114511473637335
Energy: 1.0056381928876212
Energy: 1.0114511473637335
Energy: 1.018863289435825
Energy: 0.9060302158501785
Energy: 1.0135390458705085
Energy: 0.9060302158486433
Energy: 1.0317624669997543
Energy: 0.905506797677916
Energy: 0.9849964926994969
Energy: 0.905506797677916
Energy: 1.027288715522537
Energy: 0.9277794848686245
Energy: 1.0664346484913891
Energy: 0.9277794848686245
Energy: 0.9795752618560101
Energy: 0.9851065462913822
Energy: 1.0453417514257883
Energy: 0.9851065462913822
Energy: 1.1051929735637498
Energy: 0.9446506483339336
Energy: 1.014454872926583
Energy: 0.9446506483339336
Energy: 1.0695514114079898
Energy: 0.9714005727876047
Energy: 1.0534664135443896
Energy: 0.9714005727876047
Energy: 1.0272164300072066
Energy: 0.927908772275132
Energy: 1.066083531790978
Energy: 0.927908772275132
Energy: 1.0184430084332567
Energy: 0.9253716794822419
Energy: 1.0453620401950912
Energy: 0.9253716794822419
Energy: 1.019004858539765
Energy: 0.9067975768999845
Energy: 1.0101453527823139
Energy: 0.9067975768999845
Energy: 1.0533186935504721
Energy: 0.9058614384968964
Energy: 1.0317118656432733
Energy: 0.9058614384968964
Energy: 0.9788807357601937
Energy: 0.9070257468497889
Energy: 1.004908778489396
Energy: 0.9070257468497889
Energy: 1.0269158956651803
Energy: 0.9123240646406573
Energy: 1.0053500187363236
Energy: 0.9123240646406573

minimum gb energy = 0.905506797677916 eV
minimum distance =  2.25778672997119 Angstroms
sigma value = 41


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

Energy: 1.1005915512500717
Energy: 0.8803873996708023
Energy: 1.0891676857114292
Energy: 0.8803873996708023
Energy: 0.9393880475511053
Energy: 1.0532196763027406
Energy: 0.9690185877607216
Energy: 1.053219676301482
Energy: 0.9493647695615601
Energy: 0.8529687009773441
Energy: 1.0368918375086096
Energy: 0.8529687009773441
Energy: 0.963548564990824
Energy: 0.9108501575216166
Energy: 0.9676106042395929
Energy: 0.9108501575216166
Energy: 1.0103454713888773
Energy: 0.842645729627005
Energy: 0.9294863731070199
Energy: 0.8426457296257464
Energy: 0.9638018359031529
Energy: 0.9036182473731211
Energy: 0.963544305514719
Energy: 0.9036182473731211
Energy: 0.9263193451932006
Energy: 0.8305652290598169
Energy: 0.9644723764446554
Energy: 0.8305652290598169
Energy: 0.9664678897027755
Energy: 0.9055899274814456
Energy: 0.9632748411182818
Energy: 0.9055899274827043
Energy: 0.9522024077934036
Energy: 0.8305728342845675
Energy: 0.9087509991717054
Energy: 0.8305728342858261
Energy: 0.9921599088040436
Energy: 0.9470075298813302
Energy: 0.9632505394206174
Energy: 0.9470075298863648
Energy: 0.9237371089528809
Energy: 0.8322966974437492
Energy: 0.9170282836508106
Energy: 0.8322966974437492
Energy: 0.9418606991576776
Energy: 1.2133154112050228
Energy: 0.9752061140424816
Energy: 1.2133154112050228
Energy: 0.9244107727324844
Energy: 0.8307110967987426
Energy: 0.91605824552562
Energy: 0.8307110967987426
Energy: 0.9942994023458517
Energy: 0.8372933110216757
Energy: 0.9532914137071022
Energy: 0.8372933110229344
Energy: 0.9496534044570889
Energy: 0.8308451971650522
Energy: 0.9074044678875895
Energy: 0.8308451971637935
Energy: 0.9465929176142331
Energy: 0.9336302194246582
Energy: 1.0209432240163834
Energy: 0.9336302194259168
Energy: 0.9294715980862129
Energy: 0.8306347385656276
Energy: 0.9562822910044174
Energy: 0.8306347385656276
Energy: 0.9678606723197999
Energy: 0.8306774456609676
Energy: 0.967663295742759
Energy: 0.8306774456609676
Energy: 0.9928930425269542
Energy: 0.8426160631596645
Energy: 0.9311354969109585
Energy: 0.8426160631609231
Energy: 0.9732801536495932
Energy: 0.9032253673183658
Energy: 0.9322381170792972
Energy: 0.9032253673183658
Energy: 0.9474017524650917
Energy: 0.8518289071202947
Energy: 1.0145735457330944
Energy: 0.8518289071202947
Energy: 0.9400589511313959
Energy: 0.9189314272317598
Energy: 0.9694482506401678
Energy: 0.9189314272330183
Energy: 1.0671760562232941
Energy: 0.8800238233657787
Energy: 0.9332985745433807
Energy: 0.8800238233645201
Energy: 0.9933533706308746
Energy: 0.9155374565209061
Energy: 0.9596904576293317
Energy: 0.9155374565221648
Energy: 0.9474272244269493
Energy: 0.8519096809071373
Energy: 1.0145529250103045
Energy: 0.8519096809083957
Energy: 0.9677490621293826
Energy: 0.8934302589654168
Energy: 0.9678391870103196
Energy: 0.8934302589628996
Energy: 0.9928867709991419
Energy: 0.8425787993469153
Energy: 0.9338270234692091
Energy: 0.8425787993469153
Energy: 0.9733103860906714
Energy: 0.8425238800406863
Energy: 0.9703700534679693
Energy: 0.8425238800406863
Energy: 0.9286704708838813
Energy: 0.8307410175487815
Energy: 0.9554612926308751
Energy: 0.8307410175475228
Energy: 0.9658760851227158
Energy: 0.8301662676645887
Energy: 0.9666252617632833
Energy: 0.8301662676645887
Energy: 0.9500443762715821
Energy: 0.8307147499018732
Energy: 0.9107916539375781
Energy: 0.8307147499018732
Energy: 0.9469307198692243
Energy: 0.8343062910674691
Energy: 0.952813544593419
Energy: 0.8343062910674691

minimum gb energy = 0.8301662676645887 eV
minimum distance =  2.2604201082755 Angstroms
sigma value = 15


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

Energy: 1.035669141838566
Energy: 0.8157804069406338
Energy: 1.0449278860191213
Energy: 0.8157804069417001
Energy: 0.9129501251441419
Energy: 0.9692016050977783
Energy: 0.8969881524170968
Energy: 0.9692016050903631
Energy: 0.9643520633102368
Energy: 0.8039232582184723
Energy: 0.9835224255977019
Energy: 0.8039232582174061
Energy: 0.9077860919438503
Energy: 0.8445006193956698
Energy: 0.897209293673995
Energy: 0.8445006193935373
Energy: 0.9612780243077583
Energy: 0.786461940571111
Energy: 0.8657538077976038
Energy: 0.7864619405700446
Energy: 0.907543113628077
Energy: 0.8400717164833696
Energy: 0.900434181344805
Energy: 0.8400717164865683
Energy: 0.8579962485386319
Energy: 0.7776532344270967
Energy: 0.9283263784708347
Energy: 0.7776532344260305
Energy: 0.9015788304783854
Energy: 0.8417639102274689
Energy: 0.9005967328737684
Energy: 0.8417639102306678
Energy: 0.9069006466746292
Energy: 0.7698376804044121
Energy: 0.8494535423157829
Energy: 0.7698376804044121
Energy: 0.9020461968847144
Energy: 0.8437588813137561
Energy: 0.9033928051798759
Energy: 0.8437588813116236
Energy: 0.8556402037249347
Energy: 0.7695174848753527
Energy: 0.880852075179296
Energy: 0.7695174848742863
Energy: 0.901774902044639
Energy: 0.9064841152171905
Energy: 0.9290473223125439
Energy: 0.9064841152193229
Energy: 0.8758167086679425
Energy: 0.7708359740615278
Energy: 0.8599630012549463
Energy: 0.7708359740615278
Energy: 0.9122695592960891
Energy: 0.7941335133225341
Energy: 0.8871869744476913
Energy: 0.7941335133246666
Energy: 0.8714013402594071
Energy: 0.7698123911668626
Energy: 0.8562920023273197
Energy: 0.7698123911657965
Energy: 0.9013835505147711
Energy: 0.9532067253403808
Energy: 0.9374431871393857
Energy: 0.9532067253371822
Energy: 0.8560509839908317
Energy: 0.769703184720043
Energy: 0.8823399875326559
Energy: 0.7697031847189766
Energy: 0.9452827918263456
Energy: 0.8711956357653081
Energy: 0.8962550875834543
Energy: 0.8711956357663745
Energy: 0.9064325875571964
Energy: 0.7697728845457305
Energy: 0.8539184612331359
Energy: 0.7697728845457305
Energy: 0.9140377222561196
Energy: 0.7832621147485791
Energy: 0.8981744862648805
Energy: 0.7832621147485791
Energy: 0.8603762689067077
Energy: 0.7769594191133634
Energy: 0.9106544944266265
Energy: 0.7769594191133634
Energy: 0.8963905292384989
Energy: 0.8352534533226343
Energy: 0.9162081304758029
Energy: 0.8352534533237005
Energy: 0.9476658109780439
Energy: 0.7865288112166711
Energy: 0.8663445030151784
Energy: 0.7865288112177373
Energy: 0.9019655248159659
Energy: 0.8426392626854988
Energy: 0.8778189619544394
Energy: 0.842639262689764
Energy: 0.8819728655356243
Energy: 0.8034104616953897
Energy: 0.9620695130472009
Energy: 0.8034104616953897
Energy: 0.8738356269943487
Energy: 0.8529547833404503
Energy: 0.9189729798298281
Energy: 0.8529547833393839
Energy: 1.0094359036912262
Energy: 0.8171176618001481
Energy: 0.8685915469682362
Energy: 0.8171176617991304
Energy: 0.9129674980052337
Energy: 0.8576652796494056
Energy: 0.8776852842958051
Energy: 0.8576652796483394
Energy: 0.8879051646480394
Energy: 0.802215009892757
Energy: 0.9621783976462394
Energy: 0.802215009892757
Energy: 0.8961712394430731
Energy: 0.8427208910287454
Energy: 0.9191042391292739
Energy: 0.8427208910287454
Energy: 0.948075891092733
Energy: 0.7862542735026028
Energy: 0.8685658732255896
Energy: 0.7862542735026028
Energy: 0.9021283509921958
Energy: 0.8386565502243749
Energy: 0.8982470241144519
Energy: 0.8386565502243749
Energy: 0.8594881271267472
Energy: 0.7770668336844885
Energy: 0.9177353982529083
Energy: 0.7770668336834223
Energy: 0.8997185842913302
Energy: 0.7772532819357012
Energy: 0.9118808501890396
Energy: 0.7772532819357012
Energy: 0.9064368245086326
Energy: 0.7695240235605473
Energy: 0.8552195898350652
Energy: 0.7695240235605473
Energy: 0.9056075188884818
Energy: 0.7803975469100085
Energy: 0.9026897831623851
Energy: 0.7803975469100085
Energy: 0.8640586028534075
Energy: 0.769733438078438
Energy: 0.8823448896857503
Energy: 0.7697334380773716

minimum gb energy = 0.7695174848742863 eV
minimum distance =  2.26244823930915 Angstroms
sigma value = 85


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

Energy: 1.03079696394493
Energy: 0.7794675125964118
Energy: 0.8878757146904264
Energy: 0.7794675125964118
Energy: 0.8030697834495641
Energy: 0.9079909033001867
Energy: 0.8399966412526465
Energy: 0.9079909032992619
Energy: 0.7883410033934363
Energy: 0.774161921944219
Energy: 0.9903252587220538
Energy: 0.774161921944219
Energy: 0.8252563766857413
Energy: 0.7591924795693443
Energy: 0.840039947621475
Energy: 0.7591924795702691
Energy: 0.9396742614622287
Energy: 0.7367057491896393
Energy: 0.7810248197199107
Energy: 0.7367057491896393
Energy: 0.825317537113447
Energy: 0.7552661190807455
Energy: 0.836740097980683
Energy: 0.7552661190807455
Energy: 0.7817947768380625
Energy: 0.7357745829621516
Energy: 0.9127886552211001
Energy: 0.7357745829630765
Energy: 0.8268462034221807
Energy: 0.8038244222565122
Energy: 0.8369377330842799
Energy: 0.8038244222565122
Energy: 0.8783818168401994
Energy: 0.712899892542703
Energy: 0.7956214977502413
Energy: 0.712899892542703
Energy: 0.8271443071945231
Energy: 0.7683788450223581
Energy: 0.8422616609209349
Energy: 0.7683788450214333
Energy: 0.7710148139395322
Energy: 0.7128215083958902
Energy: 0.8542246524273482
Energy: 0.7128215083968151
Energy: 0.8432205923058071
Energy: 0.7856881925447734
Energy: 0.8421705782933899
Energy: 0.7856881925429239
Energy: 0.8244343960764581
Energy: 0.7125675020043958
Energy: 0.796512515404118
Energy: 0.7125675020043958
Energy: 0.8710949961176137
Energy: 0.8530642154721054
Energy: 0.8422397254834084
Energy: 0.8530642154711806
Energy: 0.7840524721935168
Energy: 0.712945505208483
Energy: 0.8137944335413104
Energy: 0.712945505208483
Energy: 0.8306083836304683
Energy: 0.7219590453600844
Energy: 0.8481148937601307
Energy: 0.7219590453600844
Energy: 0.7880115840220903
Energy: 0.7128921687581042
Energy: 0.81232723766744
Energy: 0.7128921687590289
Energy: 0.8730891775687036
Energy: 0.9040435980629263
Energy: 0.8414209127387684
Energy: 0.9040435980629263
Energy: 0.819114951899227
Energy: 0.712638593803528
Energy: 0.7932560803484896
Energy: 0.7126385938026033
Energy: 0.8426219114642413
Energy: 0.8169340658874928
Energy: 0.8734392085530723
Energy: 0.8169340658902671
Energy: 0.7740019275754271
Energy: 0.7126143664844189
Energy: 0.846307096056728
Energy: 0.7126143664853436
Energy: 0.827087137953754
Energy: 0.7057153452344338
Energy: 0.8403900249034957
Energy: 0.7057153452325843
Energy: 0.8583913379419711
Energy: 0.7114928808627642
Energy: 0.7957106543574338
Energy: 0.7114928808636889
Energy: 0.8499595517059506
Energy: 0.7672789849463297
Energy: 0.8158023413663595
Energy: 0.7672789849463297
Energy: 0.7831287479921621
Energy: 0.73658349558264
Energy: 0.8933489301510498
Energy: 0.73658349558264
Energy: 0.8254293973932555
Energy: 0.7557691544685108
Energy: 0.8368771834770957
Energy: 0.7557691544685108
Energy: 0.9109419395237762
Energy: 0.7369517019241257
Energy: 0.7814823036478918
Energy: 0.7369517019241257
Energy: 0.8585448047716401
Energy: 0.7691458166558884
Energy: 0.7839507768084943
Energy: 0.7691458166568131
Energy: 0.7875674040834983
Energy: 0.7743241003649509
Energy: 0.9531724142193839
Energy: 0.7743241003649509
Energy: 0.8042188838954075
Energy: 0.7618442266909596
Energy: 0.8398320752744991
Energy: 0.7618442266918843
Energy: 0.977322213322811
Energy: 0.7797789924340616
Energy: 0.7833270150226299
Energy: 0.7797789924340616
Energy: 0.874091038112463
Energy: 0.7815029817002129
Energy: 0.7838514709993205
Energy: 0.7815029817002129
Energy: 0.7873339460509843
Energy: 0.7743175707315864
Energy: 0.9532118046479909
Energy: 0.7743175707315864
Energy: 0.8251336720689606
Energy: 0.7587200201781448
Energy: 0.8399436957522167
Energy: 0.7587200201781448
Energy: 0.9109800143320015
Energy: 0.7371621695763844
Energy: 0.7831798222134192
Energy: 0.7371621695763844
Energy: 0.8583365073962157
Energy: 0.7674402705887486
Energy: 0.8156473034586768
Energy: 0.7674402705887486
Energy: 0.7830454230271294
Energy: 0.735244719953028
Energy: 0.8931254022855395
Energy: 0.735244719953028
Energy: 0.8269110898024692
Energy: 0.8068054633269189
Energy: 0.8368927137884159
Energy: 0.8068054633278436
Energy: 0.8583712224858888
Energy: 0.7114753292456294
Energy: 0.7947842429176338
Energy: 0.7114753292456294
Energy: 0.8503763603126986
Energy: 0.7020953379112967
Energy: 0.8295378791713622
Energy: 0.7020953379112967
Energy: 0.771060382238894
Energy: 0.7116828044689887
Energy: 0.8463762532548653
Energy: 0.7116828044689887
Energy: 0.8429909923665441
Energy: 0.705646066506116
Energy: 0.8409753927356687
Energy: 0.7056460665079655
Energy: 0.8190443881285577
Energy: 0.7014705346324654
Energy: 0.7937642947740889
Energy: 0.7014705346324654

minimum gb energy = 0.7014705346324654 eV
minimum distance =  2.27013135213693 Angstroms
sigma value = 113


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

Energy: 0.014457170597390885
Energy: 0.014605467571465356
Energy: 1.3827453390155822
Energy: 0.014605467571465356
Energy: 0.01510853812043607
Energy: 0.6564979079645544
Energy: 0.015108538119053765
Energy: 0.6564979079547992
Energy: 1.3542563959033513
Energy: 0.014605467572176255
Energy: 0.014457170597390885
Energy: 0.014605467572176255
Energy: 0.01510853811972517
Energy: 0.6564979079638433
Energy: 0.015108538119053765
Energy: 0.6564979079596569
Energy: 0.014457170597390885
Energy: 0.014605467572176255
Energy: 1.3827453390162934
Energy: 0.014605467572176255
Energy: 0.01510853811972517
Energy: 0.6564979079617501
Energy: 0.01510853811972517
Energy: 0.6564979079617501

minimum gb energy = 0.014457170597390885 eV
minimum distance =  2.41169469333865 Angstroms
sigma value = 1