Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000
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=2.867570169270039
cohesive_energy=4.28033620504353
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: 0.013144627258693859
Energy: 0.013698818079303732
Energy: 2.196401609155697
Energy: 0.013698818079303732
Energy: 0.013698818079303732
Energy: 0.013299736032868287
Energy: 0.4495718780385551
Energy: 0.013299736032868287
Energy: 2.196401609155697
Energy: 0.4495718780385551
Energy: 0.44952887204179137
Energy: 0.4495718780385551
Energy: 0.013698818079303732
Energy: 0.013299736032868287
Energy: 0.4495718780385551
Energy: 0.013299736032868287

minimum gb energy = 0.013144627258693859 eV
minimum distance =  2.480730181484 Angstroms
sigma value = 1


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

Energy: 1.2062644699620515
Energy: 1.256710962347105
Energy: 1.5291701286385906
Energy: 1.256710962347105
Energy: 1.3407619434784641
Energy: 0.798633581384336
Energy: 0.8666743932786116
Energy: 0.7986335813831272
Energy: 1.527439756984734
Energy: 0.8291665073602461
Energy: 0.8124972637907681
Energy: 0.8291665073590372
Energy: 1.2006866220903523
Energy: 0.8011606719664773
Energy: 0.8293615652629397
Energy: 0.8011606719652684
Energy: 1.2079630553531875
Energy: 0.8011659346459373
Energy: 1.226969966406352
Energy: 0.8011659346447283
Energy: 1.345020871713143
Energy: 0.8021463796834783
Energy: 0.801783933134632
Energy: 0.8021463796834783
Energy: 1.011367391668913
Energy: 0.8678420982817094
Energy: 0.8017122266619257
Energy: 0.8678420982817094
Energy: 0.8020702033346339
Energy: 0.7989187954643515
Energy: 1.2270022622033752
Energy: 0.7989187954643515
Energy: 1.0112605111025752
Energy: 0.7991453431006275
Energy: 1.1982387133312462
Energy: 0.7991453431006275
Energy: 1.3843569934777071
Energy: 0.802123004096798
Energy: 0.9863385831338861
Energy: 0.802123004095589
Energy: 0.811056923635743
Energy: 0.8666870699663174
Energy: 1.106334564985089
Energy: 0.8666870699651084
Energy: 0.8112181550555756
Energy: 0.811252897325896
Energy: 1.7203917266489437
Energy: 0.811252897325896
Energy: 1.017389947394109
Energy: 0.8664923244586589
Energy: 1.202349380087539
Energy: 0.8664923244586589
Energy: 0.826275035241699
Energy: 0.7986453565300625
Energy: 1.2080566326318658
Energy: 0.7986453565288537
Energy: 0.8261982019177089
Energy: 0.7993351557254424
Energy: 1.3381528574740018
Energy: 0.7993351557242334
Energy: 0.8264237616080544
Energy: 0.799133766921142
Energy: 1.3380757680319453
Energy: 0.799133766921142
Energy: 0.8262410610863264
Energy: 0.7983008176144997
Energy: 1.204753341349612
Energy: 0.7983008176144997
Energy: 1.017416391402039
Energy: 0.8662054507312756
Energy: 1.2044147426255658
Energy: 0.8662054507300669
Energy: 0.814957200514422
Energy: 0.8112826607424726
Energy: 1.7444061950170533
Energy: 0.8112826607424726
Energy: 0.8110952880959895
Energy: 0.8666235582683536
Energy: 1.0104182342037629
Energy: 0.8666235582683536
Energy: 1.384290813698
Energy: 0.8017762153517226
Energy: 0.9892622098319616
Energy: 0.8017762153505137
Energy: 1.0113917759949411
Energy: 0.8009782058521205
Energy: 1.1982446828713806
Energy: 0.8009782058521205
Energy: 0.8948265975711569
Energy: 0.7988365776097754
Energy: 1.0141265162605293
Energy: 0.7988365776121931
Energy: 1.2083976100221634
Energy: 0.8677522297819802
Energy: 0.8016098142623455
Energy: 0.8677522297819802
Energy: 1.3449765405475713
Energy: 0.8020321950104565
Energy: 0.8017456841875932
Energy: 0.8020321950104565
Energy: 1.213619500555177
Energy: 0.801540636466904
Energy: 1.2268844964173813
Energy: 0.8015406364644861
Energy: 1.2049735480569734
Energy: 0.8009564258281764
Energy: 0.8291621612802397
Energy: 0.8009564258293854
Energy: 1.5274249295771418
Energy: 0.829281501907922
Energy: 0.8132660640005787
Energy: 0.829281501907922
Energy: 1.3402462376259339
Energy: 0.7986869539830249
Energy: 0.8673104126353011
Energy: 0.7986869539830249
Energy: 1.2068897882979317
Energy: 0.8062232763656487
Energy: 0.8292868711152961
Energy: 0.8062232763644399
Energy: 1.343144035882758
Energy: 0.7986197555323848
Energy: 0.8685838246104365
Energy: 0.7986197555348026
Energy: 1.3450049668395168
Energy: 0.8087596062560085
Energy: 0.8133118562456088
Energy: 0.8087596062572174
Energy: 1.207764975443535
Energy: 0.8010961472358223
Energy: 0.8306171543181002
Energy: 0.8010961472370314

minimum gb energy = 0.7983008176144997 eV
minimum distance =  2.32746087694983 Angstroms
sigma value = 1


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

Energy: 1.3134902625567244
Energy: 1.313993638299901
Energy: 0.9980489820588423
Energy: 1.313993638299901
Energy: 1.2684788888848055
Energy: 0.8979550529034724
Energy: 0.9055323497187581
Energy: 0.8979550529034724
Energy: 1.28305174138744
Energy: 0.857455017903389
Energy: 0.8575349785309068
Energy: 0.857455017903389
Energy: 0.8224374127305542
Energy: 0.8366968844808119
Energy: 0.9018661469153179
Energy: 0.8366968844794337
Energy: 0.8225094139455236
Energy: 0.8364982750144156
Energy: 1.3498985778719506
Energy: 0.8364982750144156
Energy: 1.2828140159412136
Energy: 0.8367996769379246
Energy: 0.8365498464960222
Energy: 0.8367996769393029
Energy: 0.8372907542750705
Energy: 0.9001940335511188
Energy: 0.8365882553823496
Energy: 0.9001940335511188
Energy: 0.8365016701147437
Energy: 0.836517656706973
Energy: 1.3496424141233776
Energy: 0.836517656706973
Energy: 0.8374157007742624
Energy: 0.8978891281742588
Energy: 1.2862019280804335
Energy: 0.8978891281742588
Energy: 0.9016700751012531
Energy: 0.8225190237577688
Energy: 0.8226709898437095
Energy: 0.8225190237577688
Energy: 0.8576783039751256
Energy: 0.9144540733489416
Energy: 1.2864665194027776
Energy: 0.9144540733489416
Energy: 0.8372115034965435
Energy: 0.8364405374979345
Energy: 1.65699493439138
Energy: 0.8364405374979345
Energy: 0.9019993988940412
Energy: 0.8226384231110861
Energy: 1.3250178153724834
Energy: 0.8226384231097079
Energy: 0.9019993988967978
Energy: 0.8223100483875507
Energy: 1.3249876580284667
Energy: 0.8223100483875507
Energy: 0.837293972211463
Energy: 0.8364775113450966
Energy: 1.659173694381958
Energy: 0.8364775113450966
Energy: 0.8576454594826224
Energy: 0.9145528015855569
Energy: 1.2865050029944691
Energy: 0.9145528015855569
Energy: 0.9016700751012531
Energy: 0.8225301540361396
Energy: 0.8226755649216647
Energy: 0.8225301540361396
Energy: 0.8375735916564344
Energy: 0.897717253367756
Energy: 1.286218799014181
Energy: 0.897717253367756
Energy: 0.8365019588800358
Energy: 0.8365183064202496
Energy: 1.3496424141233776
Energy: 0.8365183064202496
Energy: 0.837315086860786
Energy: 0.9002088856216106
Energy: 0.8365870505282043
Energy: 0.9002088856216106
Energy: 1.2828401679301988
Energy: 0.8367945224254072
Energy: 0.8365269086794237
Energy: 0.8367945224254072
Energy: 0.8225286523596852
Energy: 0.8364737574336412
Energy: 1.3498985778719506
Energy: 0.8364737574322628
Energy: 0.8224327817272892
Energy: 0.8367210683116142
Energy: 0.9018661469153179
Energy: 0.8367210683116142
Energy: 1.282896984594984
Energy: 0.8574558503150095
Energy: 0.8575254215840546
Energy: 0.8574558503150095
Energy: 1.2687036988463765
Energy: 0.8978573273564968
Energy: 0.9055323497173796
Energy: 0.8978573273578752
Energy: 1.3134902625567244
Energy: 1.313993638299901
Energy: 0.9980459320348987
Energy: 1.313993638299901
Energy: 1.2684788888848055
Energy: 0.8979550529034724
Energy: 0.9055323497187581
Energy: 0.8979550529034724
Energy: 1.28305174138744
Energy: 0.857455017903389
Energy: 0.8575349785309068
Energy: 0.857455017903389
Energy: 0.8224374127305542
Energy: 0.8366968844794337
Energy: 0.9018661469153179
Energy: 0.8366968844808119

minimum gb energy = 0.8223100483875507 eV
minimum distance =  2.31823511081475 Angstroms
sigma value = 25


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

Energy: 1.1700879564367168
Energy: 1.0059782175157892
Energy: 1.4186900165672558
Energy: 1.0059782175157892
Energy: 1.395866550366211
Energy: 0.8936347898281085
Energy: 1.022363930510647
Energy: 0.8936347898281085
Energy: 1.412884763023681
Energy: 0.9097173560125337
Energy: 0.9097831176692048
Energy: 0.909717356014136
Energy: 1.1785694981153303
Energy: 0.882342544898009
Energy: 1.0223710264690697
Energy: 0.882342544898009
Energy: 1.1692542696520283
Energy: 0.882295529177608
Energy: 1.172062275832802
Energy: 0.882295529177608
Energy: 1.4076852837659035
Energy: 0.8936133018914364
Energy: 0.893467674026603
Energy: 0.8936133018914364
Energy: 0.9135683208959247
Energy: 0.882089729085083
Energy: 0.8934345177353923
Energy: 0.882089729085083
Energy: 0.8911198484309227
Energy: 0.9135573487941643
Energy: 1.4401192631928346
Energy: 0.9135573487925619
Energy: 0.9848061097163135
Energy: 0.9770012487383631
Energy: 1.1681485870251935
Energy: 0.9770012487383631
Energy: 0.9420624618750019
Energy: 0.8828961217504118
Energy: 1.1654931014905896
Energy: 0.882896121752014
Energy: 0.9439812105332919
Energy: 0.9764117611215685
Energy: 1.3971078383297553
Energy: 0.9764117611199662
Energy: 0.9567711812342405
Energy: 0.9139311182671173
Energy: 1.3970443882612493
Energy: 0.9139311182671173
Energy: 0.9416433176985255
Energy: 0.8827803233224468
Energy: 1.1641073529272332
Energy: 0.8827803233224468
Energy: 0.9847754109584219
Energy: 0.9771432491136396
Energy: 1.1682532554727134
Energy: 0.9771432491152419
Energy: 0.8973767543140192
Energy: 0.9136147514932709
Energy: 1.6600237340284782
Energy: 0.9136147514916687
Energy: 0.9134123160127144
Energy: 0.8819817212827654
Energy: 0.893473324995203
Energy: 0.8819817212827654
Energy: 1.6832839906025345
Energy: 0.8935463581865501
Energy: 0.8934859795887058
Energy: 0.8935463581865501
Energy: 1.1690488876587537
Energy: 0.8823152231980631
Energy: 1.1724546762844317
Energy: 0.8823152231980631
Energy: 1.1793214700194505
Energy: 0.8820018780772847
Energy: 1.0232122301196531
Energy: 0.8820018780772847
Energy: 1.1518051910670557
Energy: 0.8938236963475337
Energy: 0.9105561379702302
Energy: 0.8938236963491359
Energy: 1.396461817490665
Energy: 0.8934899903716241
Energy: 0.9018625643363933
Energy: 0.8934899903716241
Energy: 1.1713643996954874
Energy: 0.8834494770490736
Energy: 0.9540412495337962
Energy: 0.8834494770490736
Energy: 1.396608170110224
Energy: 0.9759760527193844
Energy: 0.9538997691415382
Energy: 0.9759760527193844
Energy: 1.5386645043804814
Energy: 0.9100069273781279
Energy: 0.9109503663142998
Energy: 0.9100069273781279
Energy: 1.1692566785017486
Energy: 0.8822828846837617
Energy: 0.9020077444115915
Energy: 0.8822828846837617

minimum gb energy = 0.8819817212827654 eV
minimum distance =  2.33173579121839 Angstroms
sigma value = 9


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

Energy: 0.9183740976789598
Energy: 0.9173032873433757
Energy: 1.0269662472481995
Energy: 0.9173032873435714
Energy: 0.9170106802533321
Energy: 0.9469034329941821
Energy: 0.9467389417498768
Energy: 0.9469034329940083
Energy: 0.9968945605492744
Energy: 0.9968269480516831
Energy: 0.9975513322073846
Energy: 0.9968269480514875
Energy: 0.9466636825834349
Energy: 0.9469566978894125
Energy: 0.9467180327593793
Energy: 0.9469566978896081
Energy: 0.9467908395394278
Energy: 0.9472092314658317
Energy: 0.9967326112309193
Energy: 0.9472092314656363
Energy: 1.688067728772761
Energy: 0.9469116194772691
Energy: 0.9466200549296574
Energy: 0.946911619477443
Energy: 0.9466283470298967
Energy: 0.9472053998574151
Energy: 0.946786938909008
Energy: 0.9472053998576107
Energy: 0.9469468300832757
Energy: 0.9469037599636215
Energy: 1.5251357354452122
Energy: 0.946903759963817
Energy: 1.1151941070842415
Energy: 0.9468895606303549
Energy: 0.9171786675535358
Energy: 0.9468895606303549
Energy: 1.115491797681389
Energy: 0.9173487509361062
Energy: 0.9171884110416765
Energy: 0.9173487509363017
Energy: 0.947142617103122
Energy: 1.0547159411746998
Energy: 1.5251833569956115
Energy: 1.0547159411748954
Energy: 1.048862865179856
Energy: 0.9172138402019314
Energy: 0.9471110363031566
Energy: 0.9172138402023224
Energy: 1.114993417575533
Energy: 0.9467884784284121
Energy: 0.9468626260747296
Energy: 0.9467884784282168
Energy: 0.9468013547544187
Energy: 1.020258025185635
Energy: 0.9468742291969192
Energy: 1.020258025185635
Energy: 0.9468639815323019
Energy: 0.9467892814275234
Energy: 1.114993417576315
Energy: 0.9467892814275234
Energy: 0.9468523548174519
Energy: 0.9170731855793063
Energy: 1.0488720424397575
Energy: 0.9170731855789153
Energy: 1.5251728196294854
Energy: 1.054584756893162
Energy: 0.9471485091433521
Energy: 1.054584756893162
Energy: 0.917088911268993
Energy: 0.9173054898633562
Energy: 1.1154917976809977
Energy: 0.9173054898633562
Energy: 0.9171725526217059
Energy: 0.947346918630715
Energy: 1.1151941070832856
Energy: 0.9473469186308888
Energy: 1.525136740451331
Energy: 0.9467629432497557
Energy: 0.9468514146352184
Energy: 0.9467629432497557
Energy: 0.9467671043489891
Energy: 0.9471797238431895
Energy: 0.9466806332398072
Energy: 0.947179723843385

minimum gb energy = 0.9170106802533321 eV
minimum distance =  2.3112495784241 Angstroms
sigma value = 25


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

Energy: 1.0418624591722059
Energy: 1.0289673269098885
Energy: 1.1284250481961549
Energy: 1.0289673269098885
Energy: 1.4050844980573545
Energy: 1.1102988375149543
Energy: 1.0809561235553486
Energy: 1.1102988375147393
Energy: 1.0654027174964606
Energy: 1.0645824192583082
Energy: 1.0690312625489526
Energy: 1.0645824192583082
Energy: 1.0293349884657104
Energy: 1.064692539438068
Energy: 1.0492763039750659
Energy: 1.0646925394373696
Energy: 1.0647208139706108
Energy: 1.1104401086033382
Energy: 1.4318792847963173
Energy: 1.1104401086033382
Energy: 1.4808841683683411
Energy: 1.0286640396577988
Energy: 1.028755484109703
Energy: 1.0286640396575568
Energy: 1.1296443717743183
Energy: 1.065327101500003
Energy: 1.028757567934894
Energy: 1.065327101499761
Energy: 1.064614914823217
Energy: 1.1292167703046005
Energy: 1.4322107107862927
Energy: 1.1292167703038751
Energy: 1.129202922200277
Energy: 1.0288703152683907
Energy: 1.028498127027597
Energy: 1.0288703152683907
Energy: 1.0652812759441115
Energy: 1.0291310948581238
Energy: 1.0286128315834129
Energy: 1.0291310948583656
Energy: 1.0645036416348796
Energy: 1.064869837890029
Energy: 1.4019230515302936
Energy: 1.0648698378897872
Energy: 1.064513467634371
Energy: 1.029219173211683
Energy: 1.048958283473518
Energy: 1.029219173211925
Energy: 1.3434259680755336
Energy: 1.0496472369524286
Energy: 1.0497923388908221
Energy: 1.0496472369517302
Energy: 1.404678314661859
Energy: 1.1104053461070413
Energy: 1.1467419547541096
Energy: 1.1104053461067995
Energy: 1.2511201976250241
Energy: 1.0287380408777425
Energy: 1.1469302783487192
Energy: 1.0287380408775004
Energy: 1.3932594975048924
Energy: 1.03704553019944
Energy: 1.0494538145874979
Energy: 1.03704553019944
Energy: 1.0645938299304594
Energy: 1.0290497487478603
Energy: 1.0504078845155658
Energy: 1.029049748748102

minimum gb energy = 1.028498127027597 eV
minimum distance =  2.2880219413952 Angstroms
sigma value = 17


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

Energy: 1.3285051611043834
Energy: 1.064585196189484
Energy: 1.1207874914777343
Energy: 1.064585196189484
Energy: 1.306369705036697
Energy: 1.059146756636393
Energy: 1.0956023917110542
Energy: 1.059146756636393
Energy: 1.1153200041213787
Energy: 1.0954818385874643
Energy: 1.0872455442522229
Energy: 1.0954818385874643
Energy: 1.0731024315307265
Energy: 1.0732495749500373
Energy: 1.0969836473553034
Energy: 1.0732495749500373
Energy: 1.0706715360068242
Energy: 1.1316653391369396
Energy: 1.3051505637311245
Energy: 1.1316653391382783
Energy: 1.3190074378771721
Energy: 1.0582990897104467
Energy: 1.0802875573912571
Energy: 1.0582990897104467
Energy: 1.1321501043600004
Energy: 1.073962717548846
Energy: 1.305178738605922
Energy: 1.073962717548846
Energy: 1.08745285064738
Energy: 1.0732995987240175
Energy: 1.3248669957435135
Energy: 1.0732995987240175
Energy: 1.0863911738597678
Energy: 1.0893714673019625
Energy: 1.064912936468112
Energy: 1.0893714673006238
Energy: 1.3121164387794744
Energy: 1.144029931017091
Energy: 1.0893071747380896
Energy: 1.144029931015752
Energy: 1.0772778290217664
Energy: 1.0769911960089151
Energy: 1.2944852847451547
Energy: 1.0769911960089151
Energy: 1.0770092399634879
Energy: 1.0897784360747806
Energy: 1.1404041326660326
Energy: 1.0897784360747806
Energy: 1.3114738617736064
Energy: 1.1238520754655237
Energy: 1.0951076149190677
Energy: 1.1238520754655237
Energy: 1.0769957907259502
Energy: 1.0770305021875002
Energy: 1.124041846682034
Energy: 1.0770305021875002
Energy: 1.0768856468096129
Energy: 1.0709923562978363
Energy: 1.3249824034211417
Energy: 1.0709923562991752
Energy: 1.396326862935018
Energy: 1.0892578710159069
Energy: 1.065269707497915
Energy: 1.0892578710159069
Energy: 1.100428205145405
Energy: 1.1563372682282607
Energy: 1.0891783370378676
Energy: 1.1563372682282607
Energy: 1.087419840289774
Energy: 1.1321438681710543
Energy: 1.319440466204689
Energy: 1.1321438681710543
Energy: 1.1361122818577654
Energy: 1.144051937977021
Energy: 1.1961418709117384
Energy: 1.144051937977021
Energy: 1.3101727059395492
Energy: 1.144895321749562
Energy: 1.305989622085081
Energy: 1.1448953217482232
Energy: 1.0715351871665786
Energy: 1.1145326739975208
Energy: 1.3665791861738135
Energy: 1.114532673996182
Energy: 1.0702527594643332
Energy: 1.0904644583800807
Energy: 1.0950659574926755
Energy: 1.0904644583800807
Energy: 1.3446759946632438
Energy: 1.0950834588170075
Energy: 1.0953208999368762
Energy: 1.0950834588170075
Energy: 1.3213918137245253
Energy: 1.0591504193696977
Energy: 1.1526657339536344
Energy: 1.0591504193696977
Energy: 1.327689761747163
Energy: 1.0592729229046434
Energy: 1.152697353063317
Energy: 1.0592729229046434
Energy: 1.3502805485106957
Energy: 1.0948176263379297
Energy: 1.095763311691276
Energy: 1.0948176263365907
Energy: 1.0706323440046184
Energy: 1.0896995560383183
Energy: 1.0953236426364317
Energy: 1.0896995560383183
Energy: 1.0743288608900345
Energy: 1.073157741453842
Energy: 1.368017380760884
Energy: 1.073157741455181
Energy: 1.1147010889010707
Energy: 1.143625707515801
Energy: 1.3089280226567166
Energy: 1.1436257075144622
Energy: 1.1327066699835235
Energy: 1.05872495883433
Energy: 1.0779425496578563
Energy: 1.0587249588329912

minimum gb energy = 1.0582990897104467 eV
minimum distance =  2.30043529975371 Angstroms
sigma value = 53


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

Energy: 1.0321642599828422
Energy: 1.0317053543992236
Energy: 1.1967884456322406
Energy: 1.0317053543985932
Energy: 1.0318203010533205
Energy: 1.0314754136117728
Energy: 1.032111756304705
Energy: 1.0314754136114574
Energy: 1.6058578940188006
Energy: 1.1084073076056409
Energy: 1.1152617655677233
Energy: 1.1084073076050454
Energy: 1.1152428669806276
Energy: 1.1084170777493534
Energy: 1.6058647283819598
Energy: 1.108417077749038
Energy: 1.032128909395363
Energy: 1.031459774523092
Energy: 1.0317356272811595
Energy: 1.031459774523092
Energy: 2.5220421770112633
Energy: 1.0317053543989085
Energy: 1.0321642599828422
Energy: 1.0317053543989085
Energy: 1.032111756304705
Energy: 1.031475413611177
Energy: 1.031820301053916
Energy: 1.0314754136114574
Energy: 1.1152617655680386
Energy: 1.1084073076056409
Energy: 1.6058578940191162
Energy: 1.1084073076053607
Energy: 1.6058647283825553
Energy: 1.1084170777493534
Energy: 1.1152428669803123
Energy: 1.108417077749038
Energy: 1.0317356272814748
Energy: 1.0314597745228118
Energy: 1.0321289093950479
Energy: 1.031459774523092
Energy: 1.032164259982527
Energy: 1.0317053543985932
Energy: 1.1967884136888098
Energy: 1.0317053543989085
Energy: 1.0318203010533205
Energy: 1.0314754136114574
Energy: 1.032111756304705
Energy: 1.0314754136114574
Energy: 1.6058578940197112
Energy: 1.1084073076053607
Energy: 1.115261765567408
Energy: 1.1084073076050454

minimum gb energy = 1.0314597745228118 eV
minimum distance =  2.29209018663015 Angstroms
sigma value = 9


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

Energy: 1.220631399178872
Energy: 1.4391480747202214
Energy: 1.2343046682198258
Energy: 1.4391480747202214
Energy: 1.4064777191668854
Energy: 1.1513061967735665
Energy: 1.1807022987339084
Energy: 1.1513061967735665
Energy: 1.2072702558459747
Energy: 1.1867092358566917
Energy: 1.1819109651157114
Energy: 1.1867092358578324
Energy: 1.20134239060113
Energy: 1.205846678445143
Energy: 1.181206881288584
Energy: 1.205846678445143
Energy: 1.236052396421128
Energy: 1.1819077971596499
Energy: 1.4111496426177355
Energy: 1.1819077971596499
Energy: 1.4079509970891553
Energy: 1.213396430070947
Energy: 1.2123707625211184
Energy: 1.213396430070947
Energy: 1.1594084862320042
Energy: 1.1519946488427333
Energy: 1.4107895894143656
Energy: 1.1519946488438741
Energy: 1.1733222574415796
Energy: 1.1580744086196983
Energy: 1.1989101138920506
Energy: 1.1580744086196983
Energy: 1.1588772283455822
Energy: 1.1859720526434618
Energy: 1.21608030119307
Energy: 1.1859720526434618
Energy: 1.2141376003323054
Energy: 1.1826429011527844
Energy: 1.2631615204411764
Energy: 1.1826429011516437
Energy: 1.1461259319499073
Energy: 1.216361696667866
Energy: 1.4104595262295307
Energy: 1.2163616966667252
Energy: 1.4198776499968409
Energy: 1.1794272628344802
Energy: 1.146889667734103
Energy: 1.1794272628344802
Energy: 1.2422014441991802
Energy: 1.145609663142592
Energy: 1.1483667148359025
Energy: 1.145609663142592
Energy: 1.2341381045912516
Energy: 1.2097617929672442
Energy: 1.2289176372589483
Energy: 1.2097617929649627
Energy: 1.2367277436721102
Energy: 1.1588118966364473
Energy: 1.1462786441906427
Energy: 1.1588118966364473
Energy: 1.4322247694243995
Energy: 1.1456919392104208
Energy: 1.1513108097913274
Energy: 1.1456919392104208
Energy: 1.2140736325241923
Energy: 1.2347671519435326
Energy: 1.4391041393464017
Energy: 1.2347671519446735
Energy: 1.1429038140645362
Energy: 1.215216675639085
Energy: 1.267720581929803
Energy: 1.215216675639085
Energy: 1.4193209356792544
Energy: 1.1998915954719913
Energy: 1.1983605952421108
Energy: 1.1998915954719913
Energy: 1.15925271288414
Energy: 1.1464058571587312
Energy: 1.235052619827475
Energy: 1.1464058571587312
Energy: 1.1798180156920592
Energy: 1.1584653773646794
Energy: 1.4339083231106118
Energy: 1.1584653773635385
Energy: 1.2527002740911615
Energy: 1.1757093689992488
Energy: 1.2095313416637954
Energy: 1.1757093689992488
Energy: 1.3083135535378598
Energy: 1.2135411589838747
Energy: 1.212660482030464
Energy: 1.2135411589838747
Energy: 1.205583372784719
Energy: 1.2054715352999976
Energy: 1.4232156803178437
Energy: 1.2054715353011385
Energy: 1.2139242590955905
Energy: 1.1587268308418464
Energy: 1.1884451706485788
Energy: 1.1587268308407057
Energy: 1.337308559632841
Energy: 1.1805088070834941
Energy: 1.1911606592069615
Energy: 1.1805088070823533
Energy: 1.3138835493193968
Energy: 1.1740760441711173
Energy: 1.2866490296199102
Energy: 1.1740760441711173
Energy: 1.221356842720155
Energy: 1.1780700476357429
Energy: 1.285745401012193
Energy: 1.178070047634602
Energy: 1.3966823241997437
Energy: 1.1806077828227466
Energy: 1.1875657548947092
Energy: 1.1806077828227466
Energy: 1.1903195773192856
Energy: 1.2482470515238115
Energy: 1.1883389994787965
Energy: 1.248247051522671
Energy: 1.2061545033254217
Energy: 1.2053188339413003
Energy: 1.4248364925698922
Energy: 1.2053188339413003
Energy: 1.312726134574831
Energy: 1.1793284318106911
Energy: 1.2162434235292285
Energy: 1.1793284318106911
Energy: 1.4660008313685131
Energy: 1.175441481244047
Energy: 1.2096332906096245
Energy: 1.1754414812463283
Energy: 1.182255402011905
Energy: 1.1585979112783158
Energy: 1.433749722314992
Energy: 1.1585979112783158
Energy: 1.158529032982861
Energy: 1.1465036476079558
Energy: 1.2139215768566665
Energy: 1.1465036476090966

minimum gb energy = 1.1429038140645362 eV
minimum distance =  2.25583581691383 Angstroms
sigma value = 73


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

Energy: 1.2615923066787533
Energy: 1.2681794041214178
Energy: 1.4333125280316579
Energy: 1.2681794041214178
Energy: 1.2472282104052057
Energy: 1.285557643892512
Energy: 1.2033225465856217
Energy: 1.2855576438919774
Energy: 1.2547875279461647
Energy: 1.2024627477922425
Energy: 1.2197937852821288
Energy: 1.2024627477918726
Energy: 1.2536241004476951
Energy: 1.1558396466650014
Energy: 1.2033589560119737
Energy: 1.1558396466648164
Energy: 1.3936474345858036
Energy: 1.155853633434713
Energy: 1.2609190096745555
Energy: 1.1558536334339933
Energy: 1.5923316260009086
Energy: 1.280663856334669
Energy: 1.1489803953283788
Energy: 1.280663856335019
Energy: 1.1567139561317221
Energy: 1.2188597984906957
Energy: 1.2615863520658104
Energy: 1.2188597984903462
Energy: 1.1577746477354784
Energy: 1.1559501984356757
Energy: 1.320093137568422
Energy: 1.1559501984354905
Energy: 1.3131958771468732
Energy: 1.2027993684865737
Energy: 1.3147360496610376
Energy: 1.2027993684869436
Energy: 1.156754015854061
Energy: 1.202576244727653
Energy: 1.3263443230033705
Energy: 1.2025762447280026
Energy: 1.155818572217418
Energy: 1.1560606428345337
Energy: 1.5675558791863307
Energy: 1.1560606428350682
Energy: 1.313768903968579
Energy: 1.1564022462572416
Energy: 1.2609269275660469
Energy: 1.1564022462574062
Energy: 1.3936651235244775
Energy: 1.2806793874207907
Energy: 1.1476893755416138
Energy: 1.2806793874206261
Energy: 1.2482502299772658
Energy: 1.2471987356574006
Energy: 1.5254069005739064
Energy: 1.2471987356577707
Energy: 1.252189766609054
Energy: 1.1565673989776348
Energy: 1.2030638841405277
Energy: 1.1565673989774496
Energy: 1.2834739613147073
Energy: 1.2030726943817411
Energy: 1.2207308314997696
Energy: 1.2030726943815562
Energy: 1.2473203262324222
Energy: 1.148310015451069
Energy: 1.3994803261594255
Energy: 1.1483100154360553
Energy: 1.2497806065402908
Energy: 1.147962155167288
Energy: 1.4001588461212173
Energy: 1.147962155167103
Energy: 1.4259509907478392
Energy: 1.203057063146105
Energy: 1.202993382427103
Energy: 1.2030570631459405
Energy: 1.2592021949549668
Energy: 1.2607796518180003
Energy: 1.2206080124350898
Energy: 1.2607796518181855
Energy: 1.2566481272079013
Energy: 1.247586714885817
Energy: 1.5466529840345415
Energy: 1.2475867148854467
Energy: 1.3934598765935255
Energy: 1.1558434416954253
Energy: 1.147694020098889
Energy: 1.155843441695055

minimum gb energy = 1.1476893755416138 eV
minimum distance =  2.25932759037682 Angstroms
sigma value = 7


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

Energy: 1.3209154227792175
Energy: 1.2996272781134883
Energy: 1.3268851333568972
Energy: 1.2996272781134883
Energy: 1.290124727960276
Energy: 1.2813270609252332
Energy: 1.2887102756850746
Energy: 1.2813270609252332
Energy: 1.2667560662486148
Energy: 1.1909999650125174
Energy: 1.1917380065703955
Energy: 1.1909999650125174
Energy: 1.3369621042229152
Energy: 1.156361056739273
Energy: 1.2650011684795388
Energy: 1.1563610567379932
Energy: 1.407063853262578
Energy: 1.1914394960314472
Energy: 1.1557065956375157
Energy: 1.1914394960314472
Energy: 1.7039395224735254
Energy: 1.1559565009282053
Energy: 1.1596043879365279
Energy: 1.1559565009282053
Energy: 1.231701783774553
Energy: 1.3473250991652517
Energy: 1.3335077207868162
Energy: 1.3473250991665313
Energy: 1.159632339559208
Energy: 1.156141072189453
Energy: 1.4027726779963612
Energy: 1.156141072189453
Energy: 1.3326163296265072
Energy: 1.1926141599237
Energy: 1.2653701385361884
Energy: 1.1926141599237
Energy: 1.1914442412206006
Energy: 1.156569049960444
Energy: 1.3380523944845997
Energy: 1.156569049960444
Energy: 1.1912453417674331
Energy: 1.1922654875738186
Energy: 1.279180372979309
Energy: 1.1922654875738186
Energy: 1.427610109753076
Energy: 1.1565992088631836
Energy: 1.2932279852270707
Energy: 1.1565992088631836
Energy: 1.4287490471376891
Energy: 1.1569340698009878
Energy: 1.2901752213340396
Energy: 1.1569340698009878
Energy: 1.1917622621352437
Energy: 1.1927448168125445
Energy: 1.4939633960243075
Energy: 1.1927448168138242
Energy: 1.1911315798997668
Energy: 1.1588414808275231
Energy: 1.3303456371134013
Energy: 1.1588414808275231
Energy: 1.3327050354685637
Energy: 1.2806026269047048
Energy: 1.2663426223422025
Energy: 1.2806026269047048
Energy: 1.1554330589329003
Energy: 1.1573325048955034
Energy: 1.402509910942603
Energy: 1.1573325048955034
Energy: 1.1560726941525028
Energy: 1.193323180729826
Energy: 1.3334099165114983
Energy: 1.193323180729826
Energy: 1.7065366067537326
Energy: 1.1568018051596127
Energy: 1.155645189566092
Energy: 1.1568018051596127
Energy: 1.4029475248134822
Energy: 1.1916804365872462
Energy: 1.155516026315966
Energy: 1.1916804365872462
Energy: 1.3319911325449183
Energy: 1.3185366849976192
Energy: 1.2790490591211097
Energy: 1.3185366849976192
Energy: 1.3290219574445494
Energy: 1.1917263353749183
Energy: 1.1957426169728598
Energy: 1.1917263353749183
Energy: 1.2901568447971459
Energy: 1.2886411810803564
Energy: 1.2649556198837337
Energy: 1.2886411810803564
Energy: 1.293962165424757
Energy: 1.3024485260370773
Energy: 1.4281732504718447
Energy: 1.3024485260370773
Energy: 1.2901898485164225
Energy: 1.156649763641233
Energy: 1.2855197792161202
Energy: 1.156649763641233
Energy: 1.2793975843184808
Energy: 1.191620682203831
Energy: 1.195815184879358
Energy: 1.191620682203831
Energy: 1.3345916882167026
Energy: 1.1561024574223064
Energy: 1.1914199406892447
Energy: 1.1561024574223064
Energy: 1.4034705561081247
Energy: 1.1917821456951607
Energy: 1.3324538990582853
Energy: 1.1917821456951607
Energy: 1.4083495619867603
Energy: 1.1556520085530988
Energy: 1.1557822586364657
Energy: 1.1556520085530988
Energy: 1.332913436848628
Energy: 1.3449559906456987
Energy: 1.3331147460463033
Energy: 1.3449559906456987
Energy: 1.1557685167425937
Energy: 1.1556451119287618
Energy: 1.4083495619867603
Energy: 1.1556451119287618

minimum gb energy = 1.1554330589329003 eV
minimum distance =  2.27618808151136 Angstroms
sigma value = 29


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

Energy: 1.1097531920934849
Energy: 1.28665261184699
Energy: 1.346515481979449
Energy: 1.28665261184699
Energy: 1.3431796685021997
Energy: 1.1820393439397603
Energy: 1.1693946318518977
Energy: 1.1820393439397603
Energy: 1.3462575468125964
Energy: 1.1335857520087664
Energy: 1.1339904069693563
Energy: 1.1335857520087664
Energy: 1.3877261632765363
Energy: 1.171065861275234
Energy: 1.1343544169542041
Energy: 1.171065861275234
Energy: 1.3881204223909798
Energy: 1.1711181306628193
Energy: 1.1340177749672677
Energy: 1.1711181306623732
Energy: 1.374297390714719
Energy: 1.135386349395072
Energy: 1.1338757580246765
Energy: 1.135386349395072
Energy: 1.3450012536933078
Energy: 1.1338062398574107
Energy: 1.346097422939424
Energy: 1.1338062398574107
Energy: 1.1083623371931097
Energy: 1.1344875277392539
Energy: 1.7471941858455955
Energy: 1.134487527739675
Energy: 1.3438814618002481
Energy: 1.1696880772854097
Energy: 1.16946358747015
Energy: 1.1696880772849638

minimum gb energy = 1.1083623371931097 eV
minimum distance =  2.33904637085931 Angstroms
sigma value = 5


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

Energy: 1.2984567296935323
Energy: 1.1825126478743848
Energy: 1.4352625714096283
Energy: 1.1825126478743848
Energy: 1.4236851753282869
Energy: 1.145467823943552
Energy: 1.2715075223343695
Energy: 1.145467823943552
Energy: 1.1765626423514415
Energy: 1.2843822588620601
Energy: 1.2206930156196365
Energy: 1.2843822588620601
Energy: 1.176655986816185
Energy: 1.1889004360969369
Energy: 1.2695363246593556
Energy: 1.1889004360969369
Energy: 1.1280906765420347
Energy: 1.2664734380446023
Energy: 1.1688706945826788
Energy: 1.2664734380458114
Energy: 1.270925768136022
Energy: 1.2978378996685584
Energy: 1.17347395684649
Energy: 1.2978378996685584
Energy: 1.2617169994580661
Energy: 1.2596196203630556
Energy: 1.3017302431381097
Energy: 1.2596196203642647
Energy: 1.261891053358006
Energy: 1.2599098180073927
Energy: 1.3840455557108973
Energy: 1.2599098180061838
Energy: 1.44516843126331
Energy: 1.1657415967156777
Energy: 1.2679327698828744
Energy: 1.1657415967156777
Energy: 1.385360430279915
Energy: 1.1634718391173882
Energy: 1.2675788390227398
Energy: 1.1634718391173882
Energy: 1.2227911309936705
Energy: 1.2208505926064404
Energy: 1.2942269533635022
Energy: 1.2208505926076492
Energy: 1.2205231619055337
Energy: 1.2786153939942804
Energy: 1.1478267302269032
Energy: 1.2786153939954894
Energy: 1.2906080137745615
Energy: 1.2196722937061588
Energy: 1.1468412668423744
Energy: 1.21967229370495
Energy: 1.1634941156240506
Energy: 1.2651125171654702
Energy: 1.1467833789811495
Energy: 1.2651125171642614
Energy: 1.1915294576753943
Energy: 1.1700381181454342
Energy: 1.3614445142995577
Energy: 1.1700381181442254
Energy: 1.4122858665730424
Energy: 1.1625118031833388
Energy: 1.2667554073008092
Energy: 1.1625118031821302
Energy: 1.3587578207043545
Energy: 1.1602715335075195
Energy: 1.3470062766510864
Energy: 1.1602715335075195
Energy: 1.2233959176345932
Energy: 1.2749749071970338
Energy: 1.3840636167661526
Energy: 1.2749749071994516
Energy: 1.2625984632965108
Energy: 1.1697980488032218
Energy: 1.2064267303030018
Energy: 1.1697980488032218
Energy: 1.1877652817650282
Energy: 1.2836787837851895
Energy: 1.1698744239120804
Energy: 1.2836787837863983
Energy: 1.1906400356395488
Energy: 1.1886033626480939
Energy: 1.2395294166021233
Energy: 1.188603362646885
Energy: 1.2746061257292502
Energy: 1.2667927246458148
Energy: 1.2186115546479308
Energy: 1.2667927246470239
Energy: 1.1770119291797108
Energy: 1.2675311663854878
Energy: 1.2132412410623055
Energy: 1.2675311663842788
Energy: 1.338833130253126
Energy: 1.1695198091821883
Energy: 1.5061876756516166
Energy: 1.1695198091821883
Energy: 1.3426191826275424
Energy: 1.1678721300357995
Energy: 1.5271578802301564
Energy: 1.1678721300345907
Energy: 1.3138346844138271
Energy: 1.266650094892057
Energy: 1.218345855928079
Energy: 1.2666500948908481
Energy: 1.1807024271044098
Energy: 1.2672710370923277
Energy: 1.2132185685759147
Energy: 1.2672710370923277
Energy: 1.1879520857400991
Energy: 1.1894267068291053
Energy: 1.3217596508612253
Energy: 1.1894267068278965
Energy: 1.1906116660523018
Energy: 1.2666465174899597
Energy: 1.1688519943542786
Energy: 1.2666465174899597
Energy: 1.3751502856992874
Energy: 1.257074947409289
Energy: 1.210862624849474
Energy: 1.257074947409289
Energy: 1.2616030363403543
Energy: 1.2152028785550806
Energy: 1.3007016049116187
Energy: 1.2152028785550806
Energy: 1.263886801699571
Energy: 1.145262878450565
Energy: 1.4524502412212088
Energy: 1.1452628784493557
Energy: 1.5058579068624682
Energy: 1.1620692509988986
Energy: 1.2665946905628185
Energy: 1.1620692510001078

minimum gb energy = 1.1280906765420347 eV
minimum distance =  2.2607418630782 Angstroms
sigma value = 1


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

Energy: 1.2025159671035568
Energy: 1.2159902819062356
Energy: 1.3317418178669786
Energy: 1.2159902819062356
Energy: 1.1464902118276166
Energy: 1.1584590213197432
Energy: 1.1707840201436883
Energy: 1.1584590213180717
Energy: 1.239711014040622
Energy: 1.2471220916896115
Energy: 1.2771821971667416
Energy: 1.247122091691283
Energy: 1.1704312686051128
Energy: 1.2510312671579258
Energy: 1.2148074873650982
Energy: 1.2510312671579258
Energy: 1.0865772657647594
Energy: 1.220342663855356
Energy: 1.086636341899534
Energy: 1.220342663855356
Energy: 1.0868031753540883
Energy: 1.086654447693238
Energy: 1.0865016415264648
Energy: 1.086654447693238
Energy: 1.2153603693421138
Energy: 1.2468450185803757
Energy: 1.239341566015065
Energy: 1.2468450185803757
Energy: 1.2154237282864855
Energy: 1.2464128113410022
Energy: 1.240071315052983
Energy: 1.2464128113426736
Energy: 1.3741037950492916
Energy: 1.218919058029767
Energy: 1.187650447033532
Energy: 1.218919058029767
Energy: 1.374103795050963
Energy: 1.2189310509799773
Energy: 1.1876965016521823
Energy: 1.2189310509799773
Energy: 1.2154372393800057
Energy: 1.2464269618188903
Energy: 1.240071315052983
Energy: 1.2464269618188903
Energy: 1.2154659191736248
Energy: 1.2468189044256515
Energy: 1.239341566015065
Energy: 1.2468189044256515
Energy: 1.0868074444601519
Energy: 1.0866552168871602
Energy: 1.086498248414263
Energy: 1.0866552168871602
Energy: 1.0865859550201236
Energy: 1.2203155550895484
Energy: 1.086642523964171
Energy: 1.2203155550895484
Energy: 1.1704090511342475
Energy: 1.2510048865388796
Energy: 1.214777283856221
Energy: 1.2510048865388796
Energy: 1.2397110140389507
Energy: 1.247117796569866
Energy: 1.2771710271153203
Energy: 1.247117796569866
Energy: 1.146489009347471
Energy: 1.158473582934569
Energy: 1.1707835601319898
Energy: 1.158473582934569
Energy: 1.2025159671035568
Energy: 1.2159902819062356
Energy: 1.3317418042603157
Energy: 1.2159902819062356
Energy: 1.1464902118276166
Energy: 1.1584590213180717
Energy: 1.1707840201436883
Energy: 1.1584590213180717
Energy: 1.239711014040622
Energy: 1.247122091691283
Energy: 1.2771821971667416
Energy: 1.2471220916896115
Energy: 1.1704312686067841
Energy: 1.2510312671579258
Energy: 1.2148074873650982
Energy: 1.2510312671579258
Energy: 1.0865772657647594
Energy: 1.220342663855356
Energy: 1.086636341899534
Energy: 1.220342663855356
Energy: 1.0868031753540883
Energy: 1.086654447693238
Energy: 1.0865016415264648
Energy: 1.086654447693238
Energy: 1.2153603693421138
Energy: 1.2468450185803757
Energy: 1.239341566015065
Energy: 1.2468450185803757

minimum gb energy = 1.086498248414263 eV
minimum distance =  2.27825374046378 Angstroms
sigma value = 17


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

Energy: 1.3241150937371395
Energy: 1.1483927714879336
Energy: 1.5602814574566999
Energy: 1.1483927714879336
Energy: 1.1995100446506297
Energy: 1.1017437672527208
Energy: 1.2193523270140996
Energy: 1.1017437672527208
Energy: 1.130311593131783
Energy: 1.2219109028830657
Energy: 1.1858779447276133
Energy: 1.2219109028830657
Energy: 1.117595255607927
Energy: 1.1189960646473505
Energy: 1.305039585358875
Energy: 1.1189960646483834
Energy: 1.1440237174834416
Energy: 1.2194298827338943
Energy: 1.1556399353874216
Energy: 1.2194298827349273
Energy: 1.1940617217774885
Energy: 1.152739806050611
Energy: 1.1576070573418489
Energy: 1.152739806048545
Energy: 1.1742866200071473
Energy: 1.2260057235093527
Energy: 1.1098864421826258
Energy: 1.2260057235093527
Energy: 1.1754095632397905
Energy: 1.226600197010957
Energy: 1.1373991484270505
Energy: 1.226600197010957
Energy: 1.1765559047038274
Energy: 1.1410330741078851
Energy: 1.296788479114468
Energy: 1.141033074105819
Energy: 1.1737392872299721
Energy: 1.1401686087254381
Energy: 1.2944284272027684
Energy: 1.1401686087264713
Energy: 1.2364744183856953
Energy: 1.1380990798129187
Energy: 1.3261666321555594
Energy: 1.1380990798118853
Energy: 1.2359990501332994
Energy: 1.1377758725188178
Energy: 1.1469053279452643
Energy: 1.137775872517785
Energy: 1.1735683272691142
Energy: 1.2315615153628734
Energy: 1.1803346365830347
Energy: 1.2315615153628734
Energy: 1.1175303259494593
Energy: 1.2195899116565985
Energy: 1.1814904156741932
Energy: 1.2195899116555653
Energy: 1.1231098262469403
Energy: 1.2405734167065348
Energy: 1.1803629631246018
Energy: 1.240573416707568
Energy: 1.1166429421259756
Energy: 1.2255555550952042
Energy: 1.1373779063691067
Energy: 1.2255555550952042
Energy: 1.2978668284489305
Energy: 1.1047088587665528
Energy: 1.1577442013529786
Energy: 1.1047088587665528
Energy: 1.2357490967871156
Energy: 1.2239638127042993
Energy: 1.3334330804947236
Energy: 1.2239638127042993
Energy: 1.2090059790792003
Energy: 1.173769480812265
Energy: 1.1054398052044743
Energy: 1.1737694808132981
Energy: 1.4578509460455382
Energy: 1.1944210205271106
Energy: 1.245852618531941
Energy: 1.1944210205281438
Energy: 1.1811839960854091
Energy: 1.201047545286786
Energy: 1.3182899794387781
Energy: 1.201047545286786
Energy: 1.1809108805510666
Energy: 1.2188955333207225
Energy: 1.1174742928001618
Energy: 1.2188955333207225
Energy: 1.2584544953128731
Energy: 1.1530058398061345
Energy: 1.159060971870771
Energy: 1.1530058398071674
Energy: 1.1397404996750478
Energy: 1.2251165889737337
Energy: 1.1040659994921687
Energy: 1.2251165889747668
Energy: 1.1454365196239717
Energy: 1.230143497446574
Energy: 1.2152507063602116
Energy: 1.230143497446574
Energy: 1.1308480308126974
Energy: 1.2191090211315327
Energy: 1.177340523348474
Energy: 1.2191090211315327
Energy: 1.1402161204339738
Energy: 1.2191676858877807
Energy: 1.2338397697020693
Energy: 1.2191676858877807
Energy: 1.3079190727630854
Energy: 1.1021842012832506
Energy: 1.21526421987127
Energy: 1.1021842012842835
Energy: 1.3028223302345452
Energy: 1.1020578806935206
Energy: 1.2154406885748612
Energy: 1.1020578806924874
Energy: 1.12978524233644
Energy: 1.2192076048689708
Energy: 1.1775096827774407
Energy: 1.2192076048689708
Energy: 1.132812209231125
Energy: 1.2191753783708648
Energy: 1.2337434907361504
Energy: 1.219175378371898
Energy: 1.1398697552151682
Energy: 1.2401701363386939
Energy: 1.1521592291612206
Energy: 1.2401701363386939
Energy: 1.146618818551487
Energy: 1.2254703175807102
Energy: 1.1035795563920177
Energy: 1.2254703175817432
Energy: 1.2584029517866135
Energy: 1.2254017048299455
Energy: 1.1168131783725492
Energy: 1.2254017048299455
Energy: 1.1798764961021655
Energy: 1.2185720549930916
Energy: 1.1375303937901582
Energy: 1.218572054994125
Energy: 1.2143973713118021
Energy: 1.0988771531187123
Energy: 1.3024232815635555
Energy: 1.098877153117679
Energy: 1.4930113980591115
Energy: 1.142625780100082
Energy: 1.2453508064418939
Energy: 1.142625780099049
Energy: 1.2145913058891176
Energy: 1.1175553360493635
Energy: 1.1966730267412538
Energy: 1.1175553360493635

minimum gb energy = 1.098877153117679 eV
minimum distance =  2.27010864030667 Angstroms
sigma value = 89


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

Energy: 1.2482555201528307
Energy: 1.1231665094826784
Energy: 1.3582223023650912
Energy: 1.123166509482402
Energy: 1.1254474548895812
Energy: 1.1641783551157274
Energy: 1.1438762774937323
Energy: 1.1641783551157274
Energy: 1.1852207630161047
Energy: 1.117157373598307
Energy: 1.0725554906403811
Energy: 1.1171573735985525
Energy: 1.1066216331627365
Energy: 1.0898491020924994
Energy: 1.231413782429895
Energy: 1.0898491020922227
Energy: 1.0989941768328404
Energy: 1.1437506821684942
Energy: 1.068742941596934
Energy: 1.1437506821687706
Energy: 1.089691121318531
Energy: 1.211893924402335
Energy: 1.0687732438249649
Energy: 1.2118939244026117
Energy: 1.0900130646400998
Energy: 1.117469192275529
Energy: 1.068723067614086
Energy: 1.117469192275529
Energy: 1.0896726846265175
Energy: 1.0903840656325317
Energy: 1.2114557315787258
Energy: 1.0903840656325317
Energy: 1.1858204389053162
Energy: 1.1442809146129609
Energy: 1.064781875785772
Energy: 1.1442809146126842
Energy: 1.0898421839808954
Energy: 1.144134536658611
Energy: 1.064594359775116
Energy: 1.1441345366591638
Energy: 1.2092456788998291
Energy: 1.1178255769385204
Energy: 1.211238787836246
Energy: 1.1178255769385204
Energy: 1.2112666315765896
Energy: 1.1179816471372757
Energy: 1.21183340794259
Energy: 1.1179816471369992
Energy: 1.1852920747596125
Energy: 1.1442223608839133
Energy: 1.0650715474701695
Energy: 1.1442223608841897
Energy: 1.1852724478465335
Energy: 1.145009952054268
Energy: 1.0645159734269185
Energy: 1.1450099520537154
Energy: 1.0897955943124706
Energy: 1.0908984691579224
Energy: 1.2117878477587412
Energy: 1.0908984691579224

minimum gb energy = 1.0645159734269185 eV
minimum distance =  2.26531943044449 Angstroms
sigma value = 13


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

Energy: 1.1126703523646744
Energy: 1.0756877102107965
Energy: 1.2581953296188764
Energy: 1.0756877102096636
Energy: 1.0520121089507068
Energy: 1.0979802528507099
Energy: 1.051868457756595
Energy: 1.0979802528507099
Energy: 1.1107714202271879
Energy: 1.0506576484770993
Energy: 1.0866160670551286
Energy: 1.0506576484770993
Energy: 1.0679441304975503
Energy: 1.1021586370404148
Energy: 1.051866376683252
Energy: 1.1021586370404148
Energy: 1.02289731218101
Energy: 1.064735147355746
Energy: 1.0529100601849435
Energy: 1.064735147354613
Energy: 1.113635104007787
Energy: 1.0917130637341688
Energy: 1.0705504444487925
Energy: 1.0917130637330357
Energy: 1.0324160739360486
Energy: 1.0510616770107628
Energy: 1.0362147502826224
Energy: 1.05106167700963
Energy: 1.032746605989466
Energy: 1.0340354715939422
Energy: 1.032467338322694
Energy: 1.0340354715950748
Energy: 1.0472277811560624
Energy: 1.0645665638298083
Energy: 1.0187155593877424
Energy: 1.0645665638309412
Energy: 1.0939784252054816
Energy: 1.0641329810530817
Energy: 1.0870300488683777
Energy: 1.0641329810530817
Energy: 1.0736898211750425
Energy: 1.0509998405810919
Energy: 1.1054430811237652
Energy: 1.0509998405810919
Energy: 1.0687630630534708
Energy: 1.0736974570025637
Energy: 1.0322632743538678
Energy: 1.0736974570025637
Energy: 1.0902839027522007
Energy: 1.0219251176311541
Energy: 1.098502386698628
Energy: 1.0219251176311541
Energy: 1.094627967205563
Energy: 1.0493599271084206
Energy: 1.183287698319015
Energy: 1.0493599271084206
Energy: 1.0740914135453021
Energy: 1.0510741222685116
Energy: 1.1040949151337347
Energy: 1.0510741222685116
Energy: 1.0687067327722968
Energy: 1.0739313112518833
Energy: 1.1106678665503185
Energy: 1.0739313112530162
Energy: 1.0901768064140114
Energy: 1.0645528233740513
Energy: 1.0189275480411917
Energy: 1.0645528233740513
Energy: 1.0530988010584839
Energy: 1.0646448271764815
Energy: 1.0872849956004045
Energy: 1.0646448271776143
Energy: 1.0322062457372205
Energy: 1.0512981327195423
Energy: 1.031998122723232
Energy: 1.0512981327195423
Energy: 1.0319661590074305
Energy: 1.051412376410618
Energy: 1.0321800363466256
Energy: 1.051412376410618
Energy: 1.0872863811796858
Energy: 1.064662490145762
Energy: 1.0531031868983005
Energy: 1.064662490145762
Energy: 1.0190763625892185
Energy: 1.0645148551269235
Energy: 1.0901768064174102
Energy: 1.0645148551269235
Energy: 1.1106678665514513
Energy: 1.074081899259633
Energy: 1.0686951692580733
Energy: 1.0740818992585
Energy: 1.1040949151314687
Energy: 1.0510665928776566
Energy: 1.0740593739340025
Energy: 1.0510665928776566
Energy: 1.1841252944211356
Energy: 1.0492845257374799
Energy: 1.0945755793710013
Energy: 1.049284525738613
Energy: 1.0990075721056887
Energy: 1.0219195743695693
Energy: 1.0902839027522007
Energy: 1.0219195743695693
Energy: 1.0323106871417131
Energy: 1.073366399009266
Energy: 1.0690280647096717
Energy: 1.073366399009266
Energy: 1.1054430811226323
Energy: 1.050773088875148
Energy: 1.0743841526101232
Energy: 1.050773088875148
Energy: 1.0869911439029314
Energy: 1.0641735564096353
Energy: 1.0681090084988194
Energy: 1.0641735564096353
Energy: 1.0186919723715437
Energy: 1.0645523143106295
Energy: 1.0471569941369776
Energy: 1.0645523143106295
Energy: 1.0325156886283957
Energy: 1.0334832890766215
Energy: 1.032539511764734
Energy: 1.0334832890766215
Energy: 1.0362405783544468
Energy: 1.0510373162381141
Energy: 1.0323940842059884
Energy: 1.0510373162381141
Energy: 1.0708079582768295
Energy: 1.0916484916882718
Energy: 1.1136269892583721
Energy: 1.0916484916882718
Energy: 1.0531517602256741
Energy: 1.0647293272697849
Energy: 1.0227031115574141
Energy: 1.0647293272709177
Energy: 1.0520276540133044
Energy: 1.1025253151441283
Energy: 1.067710600489101
Energy: 1.1025253151441283

minimum gb energy = 1.0186919723715437 eV
minimum distance =  2.27583365997496 Angstroms
sigma value = 37


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

Energy: 1.1360463815598967
Energy: 1.0121338211578574
Energy: 1.2274365351834504
Energy: 1.0121338211574809
Energy: 0.9919832449516661
Energy: 1.1040556737937859
Energy: 1.0156044607140562
Energy: 1.1040556737934093
Energy: 1.1014226030677887
Energy: 0.9802291298886726
Energy: 1.0641130261518539
Energy: 0.9802291298888497
Energy: 1.0279504591157862
Energy: 1.0834467409437585
Energy: 1.0156799290908864
Energy: 1.0834467409439579
Energy: 1.0019852624670782
Energy: 0.9802289931875268
Energy: 1.0719898121140512
Energy: 0.9802289931877038
Energy: 1.0778695509382255
Energy: 1.0221977684165091
Energy: 1.020745724961045
Energy: 1.0221977684167087
Energy: 0.9910929430468336
Energy: 0.9808840677365963
Energy: 0.9921945643687958
Energy: 0.9808840677369728
Energy: 0.9913328441700576
Energy: 1.0926406393504915
Energy: 1.0108691626550417
Energy: 1.0926406393504915
Energy: 0.9943584057597095
Energy: 0.9800554845104835
Energy: 1.0103545131759866
Energy: 0.9800554845104835
Energy: 1.029299616377994
Energy: 1.0222591746278726
Energy: 1.010932000756843
Energy: 1.0222591746276954
Energy: 0.9848882817148071
Energy: 0.9806076495680273
Energy: 1.0406006381949249
Energy: 0.9806076495680273
Energy: 0.9886856354492443
Energy: 1.0021702279499487
Energy: 1.0124821654916896
Energy: 1.002170227950547
Energy: 1.1024421743719999
Energy: 0.9803117849700927
Energy: 1.0616860162721597
Energy: 0.9803117849699156
Energy: 0.9921239478293639
Energy: 0.9807878055674125
Energy: 1.0622239090810064
Energy: 0.980787805567014
Energy: 1.0002992254144765
Energy: 1.0134351803801587
Energy: 1.0695747211023205
Energy: 1.0134351803805575
Energy: 0.9999200257673063
Energy: 0.9692763500691831
Energy: 1.016047890686137
Energy: 0.9692763500688066
Energy: 1.1013463981477993
Energy: 0.9805748152369945
Energy: 1.061712741067761
Energy: 0.9805748152371717
Energy: 1.027805670585878
Energy: 0.980879779578947
Energy: 1.0622807019458882
Energy: 0.9808797795785703
Energy: 0.9851878351129085
Energy: 0.9806622545519058
Energy: 1.0696848891865023
Energy: 0.9806622545519058
Energy: 0.9885915542531408
Energy: 1.0020133657827133
Energy: 1.0697511869563083
Energy: 1.002013365783112

minimum gb energy = 0.9692763500688066 eV
minimum distance =  2.29071442869164 Angstroms
sigma value = 25


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

Energy: 1.041986232333313
Energy: 0.9179189796506836
Energy: 1.097737684824709
Energy: 0.9179189796506836
Energy: 0.9570073219965635
Energy: 1.0089739103571125
Energy: 0.9407120255295047
Energy: 1.0089739103571125
Energy: 1.0036784592470065
Energy: 0.8990628527669227
Energy: 1.0314219605040127
Energy: 0.8990628527669227
Energy: 0.9450729852296763
Energy: 1.0190791117109306
Energy: 0.9404415733027214
Energy: 1.0190791117109306
Energy: 0.9633773764838922
Energy: 0.8836406231234706
Energy: 0.9652336428628635
Energy: 0.8836406231234706
Energy: 0.9449463834553755
Energy: 0.9979011973645215
Energy: 0.9577042173180246
Energy: 0.9979011973645215
Energy: 0.9219274331112699
Energy: 0.8836959490865196
Energy: 0.95233958910593
Energy: 0.8836959490865196
Energy: 0.9549811671916264
Energy: 0.937274148546869
Energy: 0.9574815258478923
Energy: 0.937274148546869
Energy: 0.9094218391484421
Energy: 0.8838012594906881
Energy: 0.9190139789467306
Energy: 0.8838012594906881
Energy: 0.9552983415927578
Energy: 0.9354957788637044
Energy: 0.9184323813516241
Energy: 0.9354957788652265
Energy: 0.9038460668905254
Energy: 0.8837919116641827
Energy: 0.9247783892203203
Energy: 0.8837919116626606
Energy: 0.945455102043259
Energy: 0.9370424103552497
Energy: 0.9461334915089762
Energy: 0.9370424103552497
Energy: 0.9238628083916167
Energy: 0.88375683192232
Energy: 0.9329598247788999
Energy: 0.88375683192232
Energy: 0.9503071054142603
Energy: 0.8960041139544618
Energy: 0.9245552697799181
Energy: 0.8960041139544618
Energy: 0.9179965813716765
Energy: 0.8838228979855475
Energy: 0.9670965564507694
Energy: 0.8838228979855475
Energy: 0.9036476437237071
Energy: 0.8840459571597176
Energy: 0.9411911340050138
Energy: 0.8840459571597176
Energy: 1.000746973351584
Energy: 0.8990143385576609
Energy: 0.9245735102148601
Energy: 0.8990143385591832
Energy: 0.9229400495159029
Energy: 0.9185242072398266
Energy: 0.9246930475402017
Energy: 0.9185242072398266
Energy: 0.9572003330201818
Energy: 0.9185140846901416
Energy: 0.9641850895567339
Energy: 0.9185140846901416
Energy: 0.9570001128808755
Energy: 0.9249517511562154
Energy: 0.940264940334268
Energy: 0.9249517511562154
Energy: 1.000522460993506
Energy: 0.8986315832451557
Energy: 0.9247565988053277
Energy: 0.8986315832451557
Energy: 0.9487353550446067
Energy: 0.9112414824882841
Energy: 0.9268558291693471
Energy: 0.9112414824882841
Energy: 0.9182493007786744
Energy: 0.8838080550150555
Energy: 0.9642245748684724
Energy: 0.8838080550150555
Energy: 0.9427770111546688
Energy: 0.8837252003410748
Energy: 0.9451958606891089
Energy: 0.8837252003410748
Energy: 0.9217542149986313
Energy: 0.88401176297298
Energy: 0.9329041098371964
Energy: 0.8840117629745021
Energy: 0.9640691033950441
Energy: 0.8952404545553098
Energy: 0.9247217300441928
Energy: 0.8952404545553098

minimum gb energy = 0.8836406231234706 eV
minimum distance =  2.30187395297414 Angstroms
sigma value = 41


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

Energy: 0.9838542366520787
Energy: 0.8507410570593751
Energy: 1.0022100431664194
Energy: 0.8507410570606231
Energy: 0.8621092328917941
Energy: 0.9433955312260015
Energy: 0.8859275210789976
Energy: 0.9433955312260015
Energy: 0.9258576643027171
Energy: 0.8278815500914817
Energy: 0.944391802555051
Energy: 0.8278815500902338
Energy: 0.8719383200181937
Energy: 0.8520196694529149
Energy: 0.8859965039385028
Energy: 0.8520196694529149
Energy: 0.9273277200917217
Energy: 0.8174757497718608
Energy: 0.8896934541510494
Energy: 0.8174757497718608
Energy: 0.8721989360506459
Energy: 0.8456476538190201
Energy: 0.8783968682968758
Energy: 0.8456476538177722
Energy: 0.8800361402980506
Energy: 0.8093398674118061
Energy: 0.9111614557002187
Energy: 0.8093398674118061
Energy: 0.8855809337188614
Energy: 0.8716143359665093
Energy: 0.8784999013081121
Energy: 0.8716143359652614
Energy: 0.9069022044493618
Energy: 0.8093831502488749
Energy: 0.8537321241846713
Energy: 0.8093831502488749
Energy: 0.8858920530414921
Energy: 0.9026674992548742
Energy: 0.8856035343937254
Energy: 0.9026674992561221
Energy: 0.8750158706530253
Energy: 0.8094201738157286
Energy: 0.869304497506161
Energy: 0.8094201738157286
Energy: 0.8763503599132315
Energy: 0.9250682230453293
Energy: 0.8858160600021032
Energy: 0.9250682230453293
Energy: 0.8795353823826461
Energy: 0.8092540091882893
Energy: 0.8647172731457711
Energy: 0.8092540091882893
Energy: 0.8846761506466614
Energy: 0.8593077821562247
Energy: 0.8738431772495854
Energy: 0.8593077821562247
Energy: 0.8602545386728249
Energy: 0.8092848098052278
Energy: 0.8577294953532797
Energy: 0.8092848098052278
Energy: 0.8589999831295861
Energy: 0.8167633651634046
Energy: 0.8796672052790837
Energy: 0.8167633651634046
Energy: 0.8843497245607638
Energy: 0.8092978727615479
Energy: 0.8613690355128503
Energy: 0.8092978727615479
Energy: 0.8817294573484632
Energy: 0.8579205645110984
Energy: 0.8767450594246404
Energy: 0.8579205645110984
Energy: 0.8585521751437362
Energy: 0.8170400884461992
Energy: 0.891156105952101
Energy: 0.8170400884461992
Energy: 0.8903351797527418
Energy: 0.8431771828889093
Energy: 0.858444683238037
Energy: 0.8431771828901572
Energy: 0.9230414600208965
Energy: 0.8279469563848812
Energy: 0.8752348556463394
Energy: 0.8279469563848812
Energy: 0.8610714629760704
Energy: 0.8622684570433478
Energy: 0.8859900425963428
Energy: 0.8622684570433478
Energy: 0.8805341000341035
Energy: 0.8512950423339626
Energy: 0.8935320792345313
Energy: 0.8512950423339626
Energy: 0.90946602883223
Energy: 0.8619811395390522
Energy: 0.8582729294890574
Energy: 0.8619811395390522
Energy: 0.9232285831022509
Energy: 0.8282889927558135
Energy: 0.8752094788222224
Energy: 0.8282889927558135
Energy: 0.8817280071358515
Energy: 0.8524652607366309
Energy: 0.8862359878734802
Energy: 0.8524652607366309
Energy: 0.8585639209035638
Energy: 0.8171695565357154
Energy: 0.8940154103953862
Energy: 0.8171695565357154
Energy: 0.889969633077003
Energy: 0.848765825690681
Energy: 0.8783789174799761
Energy: 0.848765825690681
Energy: 0.8802769946276638
Energy: 0.80915823964127
Energy: 0.8613876697074537
Energy: 0.80915823964127
Energy: 0.8842519225148762
Energy: 0.8088309299942559
Energy: 0.8821521096183479
Energy: 0.8088309299942559
Energy: 0.8606827123156606
Energy: 0.8093393310874956
Energy: 0.8545690885813837
Energy: 0.8093393310874956
Energy: 0.8775469587884576
Energy: 0.8161324474340048
Energy: 0.9013521870209471
Energy: 0.8161324474340048

minimum gb energy = 0.8088309299942559 eV
minimum distance =  2.30621880686538 Angstroms
sigma value = 15


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

Energy: 0.9175181453579642
Energy: 0.7894203460833772
Energy: 0.9281232948294844
Energy: 0.7894203460823201
Energy: 0.8430642534444426
Energy: 0.8848486957460453
Energy: 0.8241917517648686
Energy: 0.8848486957449881
Energy: 0.8619293859872219
Energy: 0.7782453798124895
Energy: 0.8959415454545064
Energy: 0.7782453798135467
Energy: 0.83371820711727
Energy: 0.8749915620937777
Energy: 0.8242200636156728
Energy: 0.8749915620948349
Energy: 0.8764905422864719
Energy: 0.7643087488799024
Energy: 0.8302277387096821
Energy: 0.7643087488799024
Energy: 0.8314978652360525
Energy: 0.7944980447204618
Energy: 0.8271423704662487
Energy: 0.7944980447183475
Energy: 0.8186550987225615
Energy: 0.7539887204942889
Energy: 0.8549548341813684
Energy: 0.7539887204964031
Energy: 0.8247468178754777
Energy: 0.7923321989338132
Energy: 0.8269736223265631
Energy: 0.7923321989327561
Energy: 0.845911507580527
Energy: 0.7495264155425065
Energy: 0.8018825545169305
Energy: 0.7495264155403922
Energy: 0.8246135577011663
Energy: 0.8177121430566682
Energy: 0.8294009640956201
Energy: 0.8177121430577252
Energy: 0.8141282757071672
Energy: 0.7495529356296479
Energy: 0.8367497428149472
Energy: 0.7495529356296479
Energy: 0.8300578013597563
Energy: 0.8371885416352751
Energy: 0.8297274509887212
Energy: 0.8371885416331608
Energy: 0.8345780146736976
Energy: 0.7498114639371
Energy: 0.8072029285343879
Energy: 0.7498114639360428
Energy: 0.8303640834026119
Energy: 0.8413054859006516
Energy: 0.817935558945119
Energy: 0.8413054858995944
Energy: 0.8317325539620583
Energy: 0.7496815980048185
Energy: 0.8112004784920426
Energy: 0.7496815980069328
Energy: 0.8302382053301265
Energy: 0.7690728357590836
Energy: 0.8282638871226249
Energy: 0.7690728357580264
Energy: 0.8184685187438673
Energy: 0.7499209244167618
Energy: 0.8342652113531599
Energy: 0.749920924417819
Energy: 0.829368728766462
Energy: 0.7553893252524205
Energy: 0.8255599704248442
Energy: 0.7553893252534778
Energy: 0.8156914499547464
Energy: 0.7501064050612223
Energy: 0.8050482869503135
Energy: 0.7501064050612223
Energy: 0.8279977189892682
Energy: 0.762554853680461
Energy: 0.8240530065472214
Energy: 0.7625548536815182
Energy: 0.8219981101888647
Energy: 0.7546331805413881
Energy: 0.8218833005553826
Energy: 0.7546331805413881
Energy: 0.8191414469969888
Energy: 0.7897411178687193
Energy: 0.8320055009790155
Energy: 0.7897411178687193
Energy: 0.8181833068700181
Energy: 0.7616925873817791
Energy: 0.8311056764193351
Energy: 0.7616925873828363
Energy: 0.8266254356478023
Energy: 0.7917217100264616
Energy: 0.8369409182747405
Energy: 0.7917217100264616
Energy: 0.8602296301345049
Energy: 0.7764321894501909
Energy: 0.8370575149630511
Energy: 0.7764321894491337
Energy: 0.8100008901191371
Energy: 0.8046588255214896
Energy: 0.8404802287220956
Energy: 0.8046588255214896
Energy: 0.8354982941122752
Energy: 0.7901049330600745
Energy: 0.8335500467056319
Energy: 0.7901049330600745
Energy: 0.8429577300159289
Energy: 0.8045684476881299
Energy: 0.8344166131876297
Energy: 0.8045684476881299
Energy: 0.8670040816125747
Energy: 0.7763625189985915
Energy: 0.8373194806885076
Energy: 0.7763625189996487
Energy: 0.8292950914579933
Energy: 0.7967578086072968
Energy: 0.8405330236651213
Energy: 0.7967578086083541
Energy: 0.8183569188217955
Energy: 0.7616801186424649
Energy: 0.8335159768077036
Energy: 0.7616801186435219
Energy: 0.8267000400348937
Energy: 0.7943978956913287
Energy: 0.8240442784995547
Energy: 0.7943978956913287
Energy: 0.8190717653651156
Energy: 0.7547850058850286
Energy: 0.8218482267654582
Energy: 0.7547850058860858
Energy: 0.8292113768986503
Energy: 0.7913852211783289
Energy: 0.8320063933690324
Energy: 0.7913852211783289
Energy: 0.8156781874929692
Energy: 0.7500663693464152
Energy: 0.81494034022775
Energy: 0.7500663693453581
Energy: 0.8286500221700372
Energy: 0.7618141865132237
Energy: 0.8282594073515865
Energy: 0.7618141865142809
Energy: 0.811935532988968
Energy: 0.7501541852770313
Energy: 0.8340446556687432
Energy: 0.7501541852770313

minimum gb energy = 0.7495264155403922 eV
minimum distance =  2.31567283426122 Angstroms
sigma value = 85


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

Energy: 0.9369484148435017
Energy: 0.7444364126536518
Energy: 0.8305463548999789
Energy: 0.7444364126527349
Energy: 0.7506298365420777
Energy: 0.8358279257386033
Energy: 0.7788241288223298
Energy: 0.8358279257386033
Energy: 0.7774981673582925
Energy: 0.7392861891737011
Energy: 0.8932772906995406
Energy: 0.7392861891727842
Energy: 0.7588917759620027
Energy: 0.828282444891139
Energy: 0.7788972821412197
Energy: 0.828282444891139
Energy: 0.8677349068431356
Energy: 0.7061070395315721
Energy: 0.7532393886840744
Energy: 0.706107039532489
Energy: 0.7590802272037434
Energy: 0.823240372459086
Energy: 0.7693390148670288
Energy: 0.823240372459086
Energy: 0.7492452482156275
Energy: 0.7060106334694691
Energy: 0.8393556533582699
Energy: 0.7060106334694691
Energy: 0.7629627063258196
Energy: 0.7225058921959476
Energy: 0.7693998846824672
Energy: 0.7225058921968645
Energy: 0.8144668972339524
Energy: 0.6864502677018017
Energy: 0.7663817721549491
Energy: 0.6864502677018017
Energy: 0.7630711548566408
Energy: 0.7304341161939042
Energy: 0.7710571649031229
Energy: 0.7304341161948212
Energy: 0.735302578829879
Energy: 0.6862911180941244
Energy: 0.8011004741653729
Energy: 0.6862911180941244
Energy: 0.7765182101701006
Energy: 0.7684876949379419
Energy: 0.7710070152287536
Energy: 0.7684876949379419
Energy: 0.7861642509986523
Energy: 0.6862374115842689
Energy: 0.7593028587664948
Energy: 0.6862374115833519
Energy: 0.7764740546720222
Energy: 0.7942533603261727
Energy: 0.7773619214122585
Energy: 0.7942533603252556
Energy: 0.7469972557010683
Energy: 0.6861934457725414
Energy: 0.7827528772567283
Energy: 0.6861934457725414
Energy: 0.772752275007434
Energy: 0.7975509642520097
Energy: 0.7771053789201874
Energy: 0.7975509642520097
Energy: 0.7494651867725858
Energy: 0.6862393673486525
Energy: 0.7549177129163716
Energy: 0.6862393673486525
Energy: 0.7760076747428686
Energy: 0.7122987936712691
Energy: 0.7772971791633274
Energy: 0.7122987936712691
Energy: 0.7547250310976199
Energy: 0.6862352291442431
Energy: 0.7628738449744478
Energy: 0.6862352291442431
Energy: 0.7715666066835588
Energy: 0.6898705391930597
Energy: 0.7704846382327006
Energy: 0.6898705391939767
Energy: 0.7342822389089602
Energy: 0.6861492925546306
Energy: 0.7617149467199895
Energy: 0.6861492925546306
Energy: 0.7643255768582612
Energy: 0.6902686824524633
Energy: 0.7701008570746745
Energy: 0.6902686824524633
Energy: 0.7733352210278168
Energy: 0.6860963314666482
Energy: 0.7642230265314431
Energy: 0.6860963314666482
Energy: 0.7765728992293085
Energy: 0.7253652311761999
Energy: 0.7530912344486479
Energy: 0.7253652311761999
Energy: 0.7496697360267566
Energy: 0.7058281227415661
Energy: 0.7671563496038512
Energy: 0.7058281227415661
Energy: 0.7590550739844156
Energy: 0.7145800404233892
Energy: 0.7691310781745788
Energy: 0.7145800404224724
Energy: 0.791355637815472
Energy: 0.7061883774757463
Energy: 0.7538350681931203
Energy: 0.7061883774757463
Energy: 0.7880238681927112
Energy: 0.7250641187489387
Energy: 0.7426842438370282
Energy: 0.7250641187489387
Energy: 0.7757662890800442
Energy: 0.7392871730055642
Energy: 0.7810139216496564
Energy: 0.7392871730055642
Energy: 0.7505325086806117
Energy: 0.720467939512842
Energy: 0.7786980213988869
Energy: 0.7204679395119251
Energy: 0.818841563918081
Energy: 0.7446676249201627
Energy: 0.7555769599761045
Energy: 0.7446676249201627
Energy: 0.8104678258858234
Energy: 0.7355910755239249
Energy: 0.742709342588351
Energy: 0.7355910755239249
Energy: 0.7762669457846235
Energy: 0.7392785909258152
Energy: 0.7809995700264346
Energy: 0.7392785909258152
Energy: 0.7589843499662102
Energy: 0.7166840516331422
Energy: 0.7786497336909659
Energy: 0.716684051634059
Energy: 0.7912725961483359
Energy: 0.7061991129501206
Energy: 0.7557409372418129
Energy: 0.7061991129501206
Energy: 0.7879869177239425
Energy: 0.724985432601444
Energy: 0.7528935324882126
Energy: 0.724985432601444
Energy: 0.7495794889114898
Energy: 0.705886186929933
Energy: 0.7674131424189669
Energy: 0.705886186929933
Energy: 0.7644272260577984
Energy: 0.7230120980122288
Energy: 0.7692554102875443
Energy: 0.7230120980122288
Energy: 0.7735254962156964
Energy: 0.6860244725471689
Energy: 0.7642513089646452
Energy: 0.6860244725471689
Energy: 0.7765034635765634
Energy: 0.7411917907093862
Energy: 0.7706881859467437
Energy: 0.7411917907093862
Energy: 0.733580438132887
Energy: 0.6862717362969943
Energy: 0.7611393911774406
Energy: 0.6862717362969943
Energy: 0.7760672794535597
Energy: 0.6900486809168179
Energy: 0.7701709272428493
Energy: 0.6900486809168179
Energy: 0.7551515717263664
Energy: 0.6801010358830724
Energy: 0.7607245367279889
Energy: 0.6801010358830724

minimum gb energy = 0.6801010358830724 eV
minimum distance =  2.32338891231229 Angstroms
sigma value = 113


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

Energy: 0.014871887294311627
Energy: 0.01508605865197328
Energy: 1.2233102460417016
Energy: 0.01508605865197328
Energy: 0.015695230777595683
Energy: 0.6248104476783515
Energy: 0.015695230776890844
Energy: 0.6248104476783515
Energy: 1.4649823557953396
Energy: 0.01508605865197328
Energy: 0.014871887294311627
Energy: 0.01508605865197328
Energy: 0.015695230777595683
Energy: 0.6248104476783515
Energy: 0.015695230777595683
Energy: 0.6248104476783515
Energy: 0.014871887294311627
Energy: 0.01508605865197328
Energy: 1.2233102460417016
Energy: 0.01508605865197328
Energy: 0.015695230777595683
Energy: 0.6248104476783515
Energy: 0.015695230776890844
Energy: 0.6248104476783515

minimum gb energy = 0.014871887294311627 eV
minimum distance =  2.45313960099654 Angstroms
sigma value = 1