Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640520251
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3083199636691596e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.021231873315295392
Energy: 0.022434244661993806
Energy: 27.112074128568462
Energy: 0.02211109410472344
Energy: 0.022038816627687696
Energy: 27.126311383523664
Energy: 0.022326293687621783
Energy: 0.02218625028663334
Energy: 0.3725958337781945
Energy: 0.6777579913674445
Energy: 0.2622322044503336
Energy: 0.3722875755039352
Energy: 0.3721280422810993
Energy: 0.26214615946811204
Energy: 0.262215932865291
Energy: 0.3726337245903541
Energy: 0.3730199905733472
Energy: 0.2623211233768787
Energy: 0.3727061996478716
Energy: 0.3722581943869269
Energy: 0.261908424424076
Energy: 1.8253862368978875
Energy: 0.3726181661193763
Energy: 1.8107945120803113
Energy: 1.8282815291651648
Energy: 0.2619453592330715
Energy: 0.3726562217905879
Energy: 1.8247663660091615
Energy: 0.26227276460239246
Energy: 0.37548846696594157
Energy: 0.6782513189844132
Energy: 0.26295228152151323
Energy: 0.37270913238337494
Energy: 0.37263663184238416
Energy: 0.26188579710345206
Energy: 0.021886505117033155
Energy: 0.3726972059312495
Energy: 0.26193445717604086
Energy: 0.022285735953485118
Energy: 0.02226600983612409
Energy: 0.3723571093135958
Energy: 0.2624997452897158

minimum gb energy = 0.021231873315295392 eV
minimum distance =  2.68666737269291 Angstroms
sigma value = 5


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

Energy: 3.620118096263254
Energy: 2.435425501408245
Energy: 7.4878839833028
Energy: 2.1340655446215915
Energy: 7.759793655012212
Energy: 7.6442029545484615
Energy: 2.860854927312372
Energy: 2.0787880947370505
Energy: 2.127155969113348
Energy: 2.1142845297714685
Energy: 2.1271544053479836
Energy: 2.091458340594863
Energy: 2.1246855363549435
Energy: 2.0667553168459425
Energy: 2.0099713180899346
Energy: 2.0626697482846215
Energy: 2.054144770688392
Energy: 2.000816173938404
Energy: 2.0590443545948327
Energy: 2.0519188078424726
Energy: 2.008891833187027
Energy: 2.0195722778623746
Energy: 2.0778160234654997
Energy: 2.045935084149156
Energy: 2.012694763381801
Energy: 2.0373575420002368
Energy: 2.0735501574646475
Energy: 2.0308064330572475
Energy: 2.0136547310671102
Energy: 2.0300642782663427
Energy: 2.037550751716117
Energy: 2.0096872836528887
Energy: 2.0336170529957527
Energy: 2.0289959438890524
Energy: 1.9867332412428977
Energy: 2.0670431924099835
Energy: 2.029078841369671
Energy: 1.9885348662623639
Energy: 2.039627658968486
Energy: 2.0257444374132216
Energy: 1.9891610996733864
Energy: 2.0463755044620004
Energy: 2.06862558329927
Energy: 2.0043869767620808
Energy: 2.011526842075105
Energy: 2.061027176847619
Energy: 2.0643241764422826
Energy: 1.999844908520805
Energy: 2.0182423602719557
Energy: 2.049928576122995
Energy: 1.9811537506737606
Energy: 2.004649463735888
Energy: 2.0815757929954213
Energy: 2.0330539718651597
Energy: 1.9959716609441653
Energy: 2.0400055474700713
Energy: 2.198435026580443
Energy: 2.1001364074675903
Energy: 2.064729874057267
Energy: 2.100703876934659
Energy: 2.0841881655902967
Energy: 2.083209586359195
Energy: 2.0926009220666044
Energy: 2.145034347360565
Energy: 2.1050914900040456
Energy: 2.08840526836179
Energy: 2.033597227855562
Energy: 7.397727200774852
Energy: 1.994620363610332
Energy: 2.144315670299387
Energy: 2.1206110945662773
Energy: 2.1037507641356954
Energy: 2.0583664954199423
Energy: 2.117188665136161
Energy: 2.093948425099707
Energy: 2.057398142840907
Energy: 2.1698656704334853
Energy: 2.159163027067197
Energy: 2.0498896016277985
Energy: 2.0062122564256835
Energy: 2.1663935307221855
Energy: 2.11239276403865
Energy: 2.052260475007082
Energy: 2.020822032546921
Energy: 2.0621506930566684
Energy: 1.9816705447104366
Energy: 2.007936570165996
Energy: 2.039079145981599
Energy: 2.0358369326757653
Energy: 1.9828078112061716
Energy: 2.0372517269162613
Energy: 1.9773752653976324
Energy: 2.1289906429311882
Energy: 1.9544819186095181
Energy: 1.9893732956223282
Energy: 1.9606816569697116
Energy: 1.9951251261766574
Energy: 2.1193522817388213
Energy: 1.9703272199785093
Energy: 1.943260880843275
Energy: 1.9643061056964948
Energy: 1.9961741409246174
Energy: 1.953273107897868
Energy: 1.9840755539205852
Energy: 1.9853490516224979
Energy: 1.9576496767695541
Energy: 1.9622929697932283
Energy: 1.9612397572453688
Energy: 1.9944428906797373
Energy: 1.957004076324283
Energy: 1.9781774137841253
Energy: 1.9669829830846925
Energy: 1.9615783432994371
Energy: 1.9576865263963608
Energy: 2.0438014844631445
Energy: 1.9911105105993638
Energy: 1.952916006984446
Energy: 2.0410960697635234
Energy: 1.9808320853264325
Energy: 2.161201688004777
Energy: 1.9834160418262796
Energy: 2.0885582383247763
Energy: 2.0072738476550627
Energy: 2.0780837710410145
Energy: 2.0883023912251337
Energy: 2.046521329999808
Energy: 2.097422755986515
Energy: 2.110211250195043
Energy: 2.098848371799355
Energy: 2.0841580435102314
Energy: 2.0628922560466485
Energy: 2.1271156482512548
Energy: 2.0943459381831913
Energy: 2.08452090122705
Energy: 2.1155159509638297
Energy: 2.182147048819414
Energy: 2.088777007143341
Energy: 2.0708739727606806
Energy: 2.0773911749838767
Energy: 2.109478697456304
Energy: 1.9660734731570668
Energy: 2.071943746541602
Energy: 2.089343003703407
Energy: 2.0344066300752313
Energy: 2.0252137447597196
Energy: 2.160178809244567
Energy: 2.0433699997757078
Energy: 2.0910107330926704
Energy: 2.148197521410236
Energy: 2.0841062500433494
Energy: 2.086120659768422
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Energy: 2.1334788521710393
Energy: 2.098637528896081
Energy: 1.9382434702152667
Energy: 1.9712078118282461
Energy: 1.9715363419356078
Energy: 1.9023416882541904
Energy: 1.9385467659567492
Energy: 2.007083607009931
Energy: 1.9140204768079159
Energy: 1.9202814393870695
Energy: 1.9883682047920355
Energy: 1.973008541525326
Energy: 1.9149091137346534
Energy: 1.9639028365828646
Energy: 2.0010970692587406
Energy: 1.94746697711349
Energy: 1.9326849320801571
Energy: 1.9777478287441144
Energy: 1.9591493608632233
Energy: 1.9293687951150578
Energy: 1.9600125126061447
Energy: 2.009136742104693
Energy: 1.9112678473837297
Energy: 2.109313233744381
Energy: 2.1529430137878065
Energy: 2.0789918718312124
Energy: 2.0947338358172565
Energy: 2.018685323271948
Energy: 2.0105759536706076
Energy: 2.103163398533589
Energy: 1.9419996707242926
Energy: 2.1307325169447235
Energy: 1.9269491948880026
Energy: 1.9910589610950356
Energy: 1.9629972825620225
Energy: 2.047621475404271
Energy: 2.0389060707820943
Energy: 2.158405488749175
Energy: 2.170789632220589
Energy: 2.128061710829839
Energy: 2.114341334000318
Energy: 2.077595504688746
Energy: 2.0117554304484653
Energy: 2.1259615248919066
Energy: 2.0219312966397665
Energy: 2.2331432607756185
Energy: 2.116239916143968
Energy: 2.0366820425311456
Energy: 2.1800362225228884
Energy: 2.1067939378393947
Energy: 2.1219663688545087
Energy: 2.165438915471914
Energy: 1.9682664321664594
Energy: 2.0060908218375664
Energy: 2.1349062723792764
Energy: 2.048812824219953
Energy: 1.9924184894499979
Energy: 1.9845782711572901
Energy: 2.214510919011787
Energy: 2.151881263465694
Energy: 2.095626001991981
Energy: 2.0938173545094547
Energy: 2.132414449731393
Energy: 2.0971922243499863
Energy: 2.0719107542321837
Energy: 1.9694669704164538
Energy: 1.9686595998001504
Energy: 1.910203349512799
Energy: 2.0081807232011677
Energy: 1.979293159955177
Energy: 1.9140587223115781
Energy: 1.956273686321391
Energy: 1.9959199326424373
Energy: 1.904605932245217
Energy: 1.9693214555155656
Energy: 2.0106611848362106
Energy: 1.988629105966592
Energy: 1.9210071290097566
Energy: 1.9742682773869444
Energy: 1.9579693993057425
Energy: 1.9443383768658786
Energy: 1.8983401571355902
Energy: 2.001204471387359
Energy: 1.9862089715170483
Energy: 1.9051411033695609
Energy: 1.9736385760957653
Energy: 2.149232726961431
Energy: 2.0142184966076293
Energy: 2.087697320776542
Energy: 2.0613277220297177
Energy: 2.128435796569866
Energy: 2.0771698900527484
Energy: 1.9776409721600736
Energy: 2.1380324612830397
Energy: 2.0195324090077214
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Energy: 2.0966557720294055
Energy: 2.1335929955897575
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Energy: 2.1047351915579537
Energy: 2.162394225980695
Energy: 2.1207882604112953
Energy: 2.1060300852227423
Energy: 2.1377471466706766
Energy: 2.1051128752179817
Energy: 2.2002257154631475
Energy: 2.1181486800900013
Energy: 2.1525870923681127
Energy: 2.094353039761987
Energy: 2.1320462107241824
Energy: 2.08320868254772
Energy: 2.0815369478095405
Energy: 2.158109171264319
Energy: 2.118621513070393
Energy: 2.126815736069912
Energy: 1.9994099994420371
Energy: 2.0042328635739115
Energy: 7.232045346070841
Energy: 2.012865296933795
Energy: 2.134581744106778
Energy: 1.9438985763965726
Energy: 1.952309642405111
Energy: 1.9766184102843711
Energy: 2.0104421430375106
Energy: 1.9546888652383947
Energy: 1.9813309349811354
Energy: 2.0174340176387275
Energy: 1.960377128260222
Energy: 1.9579329167473343
Energy: 1.989300546989424
Energy: 1.9812308674810126
Energy: 1.9602205140037336
Energy: 1.9934127748490114
Energy: 1.9590993040382438
Energy: 1.9423242327230206
Energy: 1.9641777393381503
Energy: 1.974304355330792
Energy: 1.9583170873281819
Energy: 1.960811239726385
Energy: 1.9955882282167658
Energy: 1.9948579738226024
Energy: 2.2022539011179045
Energy: 2.1505108179293897
Energy: 2.109039123071427
Energy: 2.0730100290889495
Energy: 2.063083623737801
Energy: 2.1281967896809912
Energy: 2.0551222161397225
Energy: 1.9739737981794805
Energy: 2.045440236803
Energy: 2.051200757786242
Energy: 1.9852209828251877
Energy: 2.0375200429505136
Energy: 2.0442484396022764
Energy: 1.9910725862038694
Energy: 2.0656827621305007
Energy: 2.1268873566131936
Energy: 2.05087835586066
Energy: 1.9944184492840995
Energy: 2.1086566614247433
Energy: 2.1624147755434615
Energy: 2.005222387993441
Energy: 2.0699743342502983
Energy: 2.1025941686159415
Energy: 2.123732414817932
Energy: 2.0601321903802776
Energy: 2.0924994356647706
Energy: 2.126576952622219
Energy: 2.0585201422415906
Energy: 2.0984596667616824
Energy: 2.101288533322701
Energy: 2.2107595211625135
Energy: 2.0103490618109605
Energy: 1.9858824052627142
Energy: 2.179460701509914
Energy: 2.0607544396617667

minimum gb energy = 1.8983401571355902 eV
minimum distance =  2.46879681814575 Angstroms
sigma value = 401


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

Energy: 3.0214170291127003
Energy: 2.0500377291423884
Energy: 8.47641417210106
Energy: 2.370257342805952
Energy: 2.418178164141903
Energy: 8.43555051821395
Energy: 2.4677900687680077
Energy: 2.121565291926569
Energy: 2.0195153813940805
Energy: 2.117139031779643
Energy: 2.1179027458375272
Energy: 1.9896300652920225
Energy: 2.080036925747611
Energy: 2.0179326587886237
Energy: 2.0429785455076126
Energy: 2.1764324631292955
Energy: 2.161968766227312
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Energy: 2.0649696039140264
Energy: 2.1693530361845426
Energy: 2.018961754895096
Energy: 2.0420036165089543
Energy: 2.0249237111001044
Energy: 2.049008009715754
Energy: 2.034052684505988
Energy: 2.1281623106126237
Energy: 2.087257546014911
Energy: 2.096477220700741
Energy: 2.0883808328671147
Energy: 2.121308215239774
Energy: 2.1087027659420623
Energy: 2.094648989622291
Energy: 2.1348692101912206
Energy: 2.109967066505524
Energy: 2.0865809660827646
Energy: 2.232653902419424
Energy: 2.078850196372522
Energy: 2.0762207783461317
Energy: 2.144841654599639
Energy: 2.2046034748596597
Energy: 2.0604628518248544
Energy: 2.1140568844058287
Energy: 2.2523690809800634
Energy: 2.0820157487073754
Energy: 2.0952842335539725
Energy: 2.188137893461097
Energy: 2.218170885674449
Energy: 2.0475888857958418
Energy: 2.103010780924311
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Energy: 2.0392905162290704
Energy: 2.065993473362178
Energy: 2.1058070506042847
Energy: 2.1081514820271856
Energy: 2.056324075462892
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Energy: 1.9518656590529055
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Energy: 2.0235342164981476
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Energy: 2.128060340487801
Energy: 2.067603275508354
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Energy: 1.99654194057231
Energy: 2.0850001507208744
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Energy: 1.9923526746570068
Energy: 2.0310474302479844
Energy: 2.0562768426140225
Energy: 1.9921934356907998
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Energy: 2.0201273165008518
Energy: 1.9687104541230613
Energy: 2.0046013542977765
Energy: 2.0476367712599903
Energy: 1.9996296144954688
Energy: 1.973471689674343
Energy: 2.0121115956606026
Energy: 2.0981886444707705
Energy: 1.9796976910385706
Energy: 1.9703932218438285
Energy: 2.093645082686367
Energy: 1.9941088568733942
Energy: 1.9665178274639261
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Energy: 2.006121644307953
Energy: 2.0183624607555015
Energy: 2.004842560427491
Energy: 2.090544562344927
Energy: 2.0356851127262874
Energy: 2.0538722544898476
Energy: 2.3356616819674967
Energy: 2.0896172320061135
Energy: 2.050781803789975
Energy: 2.197914047535502
Energy: 2.2327274160327732
Energy: 2.0222662229800434
Energy: 2.2078888852465335
Energy: 2.329425161296019
Energy: 2.0226105161843897
Energy: 2.139674242112715
Energy: 2.0788546320495085
Energy: 2.0333343034832767
Energy: 2.1219913379386393
Energy: 2.0883163441878216
Energy: 2.2377561691516044
Energy: 2.0790705459932846
Energy: 1.8990573404166495
Energy: 2.091443658437775
Energy: 2.174175010366628
Energy: 1.8981925162429079
Energy: 1.8985157647875377
Energy: 8.15183058377343
Energy: 2.0198730620221284
Energy: 2.0663864440444564
Energy: 2.003480708861675
Energy: 2.1698439013850424
Energy: 2.0106533483237747
Energy: 2.0106106713857157
Energy: 2.2039045118473752
Energy: 2.0465958621972073
Energy: 2.0220275607544926
Energy: 2.0514786746604226
Energy: 2.161308140854601
Energy: 2.019817900727416
Energy: 2.016106189532433
Energy: 2.097757012850514
Energy: 2.0176351485177464
Energy: 2.049952102300838
Energy: 2.1846464737694973
Energy: 2.0718476782711233
Energy: 2.037231318484116
Energy: 2.073653624130245
Energy: 2.181834456380095
Energy: 2.1025131706947406
Energy: 2.093922237915674
Energy: 2.1423339213757737
Energy: 2.0962999604527988
Energy: 2.0807001482909118
Energy: 2.1134914222393126
Energy: 2.168944719931765
Energy: 2.08702669814725
Energy: 2.1955269477120183
Energy: 2.093807435166615
Energy: 2.0654057042019907
Energy: 2.171174956381201
Energy: 2.143792356745382
Energy: 2.060533436239425
Energy: 2.1130200621328625
Energy: 2.244669180333493
Energy: 2.0501615241249107
Energy: 2.109148117712368
Energy: 2.186240153730894
Energy: 2.230618505784536
Energy: 2.051006423330722
Energy: 2.0671629395699616
Energy: 2.2272797959092427
Energy: 2.0878256564308924
Energy: 2.070938170341254
Energy: 2.167775089629846
Energy: 2.085336134483956
Energy: 2.0364302342822675
Energy: 2.168854325039917
Energy: 2.191021899316478
Energy: 2.051821492935219
Energy: 2.124584826213927
Energy: 2.072017842158227
Energy: 2.055011731006579
Energy: 2.0963276958413775
Energy: 2.2134343042665203
Energy: 2.260664576802114
Energy: 2.0085576974062676
Energy: 2.0201256635008957
Energy: 2.216885266728436
Energy: 11.872628714236981
Energy: 2.165920897093172
Energy: 2.135060838865471
Energy: 2.053129888180789
Energy: 2.052485464438304
Energy: 2.049233715181667
Energy: 2.0748938021777397
Energy: 2.0545729606301486
Energy: 2.1834859105092566
Energy: 2.169756852210371
Energy: 2.2288478820139908
Energy: 2.0919274152985725
Energy: 2.034289811158853
Energy: 2.187934880789487
Energy: 2.0489841502617545
Energy: 2.0542902586881944
Energy: 2.1476008597221834
Energy: 2.334915151482074
Energy: 2.052848139852161
Energy: 2.058915996214722
Energy: 2.226265055246928
Energy: 2.1744703517902
Energy: 2.0579847684407837
Energy: 2.058820542780083
Energy: 2.218604242351815
Energy: 2.047688881678204
Energy: 2.034727246025903
Energy: 2.1580737010147715
Energy: 2.0847629372947623
Energy: 2.037643668239038
Energy: 2.0579696500527382
Energy: 2.021152221664098
Energy: 1.9880178437781142
Energy: 2.0583871040335264
Energy: 2.075406377875354
Energy: 1.995421312541534
Energy: 2.0384421283220417
Energy: 2.053375393686417
Energy: 2.0100941855924517
Energy: 2.0297595510776842
Energy: 2.0477850489171865
Energy: 2.0096611415422068
Energy: 2.009823523381064
Energy: 2.049510461588578
Energy: 2.046289476461639
Energy: 1.9801832181844463
Energy: 1.9829241623985825
Energy: 2.109158182059956
Energy: 1.99435987677661
Energy: 1.9718717360700753
Energy: 2.0633087716587806
Energy: 2.0067248556148645
Energy: 2.1495265989236336
Energy: 2.091339806173047
Energy: 2.243538532244469
Energy: 2.0194648277969627
Energy: 2.1693786314250114
Energy: 2.332442512489753
Energy: 2.0162815406485546
Energy: 2.0270770295307923
Energy: 2.0286774412979742
Energy: 2.2270570377285126
Energy: 2.0172962011731785
Energy: 2.0367625123713546
Energy: 2.3303361539077563
Energy: 2.0930543253118876
Energy: 2.1574101400266135
Energy: 2.0795601658179645
Energy: 2.223177508147988
Energy: 2.1187421931055677
Energy: 2.1411741532108337
Energy: 2.441225004185358
Energy: 2.0597416201052674
Energy: 2.023984820546202
Energy: 2.0894437246936186
Energy: 2.2193840209720364
Energy: 2.011155941364291
Energy: 2.0109471974083886
Energy: 2.0302942497635006
Energy: 2.0722525405001035

minimum gb energy = 1.8981925162429079 eV
minimum distance =  2.39638573742156 Angstroms
sigma value = 311


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

Energy: 2.302700863608164
Energy: 2.4367513811182233
Energy: 7.874738413502179
Energy: 2.2988660590314174
Energy: 2.2984444575332206
Energy: 7.767927622829984
Energy: 2.3061178846151105
Energy: 2.1137621705483927
Energy: 2.2089340242651563
Energy: 2.017792987428307
Energy: 2.0183053015728287
Energy: 2.045631757014641
Energy: 2.036459582129445
Energy: 2.035760370038861
Energy: 2.1040386707245227
Energy: 2.119787397308723
Energy: 2.0306709609717326
Energy: 1.9882892063524036
Energy: 2.004377014853087
Energy: 2.022476440534942
Energy: 2.016768089255894
Energy: 2.2620791213723845
Energy: 2.0787375125588055
Energy: 2.0350711553855376
Energy: 2.2054645333047933
Energy: 2.1453720475779
Energy: 1.9160759461618235
Energy: 2.037077946044377
Energy: 2.1751310921965623
Energy: 2.165354881368071
Energy: 2.024977274086668
Energy: 1.9897397252060676
Energy: 2.112629650444453
Energy: 2.1215806824714885
Energy: 2.140276012635923
Energy: 2.2683211912838703
Energy: 2.237599143554596
Energy: 2.2317657651792504
Energy: 2.2473403127014784
Energy: 2.2656496733287703
Energy: 2.2263095849371632
Energy: 2.2250825296165835
Energy: 2.2729306042425574
Energy: 2.2701759058716995
Energy: 2.2401378644717886
Energy: 2.2476917088382975
Energy: 2.2496117673544904
Energy: 2.2632342726843317
Energy: 2.2357138895903335
Energy: 2.2459950750630995
Energy: 2.307709395818194
Energy: 2.2994558780877004
Energy: 2.2596742619561803
Energy: 2.2639083888135687
Energy: 2.291421451443698
Energy: 2.246686826563522
Energy: 2.192258279034231
Energy: 2.32771452673512
Energy: 2.4005715096854034
Energy: 2.3296824490555017
Energy: 2.33079627134886
Energy: 2.4063124796927524
Energy: 2.312880321277793
Energy: 2.1992505643525244
Energy: 2.2847910066145056
Energy: 2.2650643944641997
Energy: 2.2305851679339948
Energy: 2.315476735592937
Energy: 2.345638147813761
Energy: 2.288626011584326
Energy: 2.1999858664961014
Energy: 2.3275704827539356
Energy: 2.192797215608182
Energy: 2.1807487063887923
Energy: 2.145413604742222
Energy: 2.2056964661986678
Energy: 2.308045480224502
Energy: 2.292768408848087
Energy: 2.278124599867735
Energy: 2.331260765444744
Energy: 2.234903212858693
Energy: 2.2749036481357323
Energy: 2.255201879162252
Energy: 2.2107237705160174
Energy: 7.7805652996168355
Energy: 3.415804007143553
Energy: 2.2499817866026937
Energy: 7.743918236772903
Energy: 3.265566358154272
Energy: 2.1786457326802426
Energy: 2.3132631610848815
Energy: 2.1802328109737736
Energy: 2.104767611820989
Energy: 2.2055438217588446
Energy: 2.182961783794945
Energy: 2.155196046587262
Energy: 2.0834361554829868
Energy: 2.1022111622349473
Energy: 2.1719148285182466
Energy: 2.1095520460603856
Energy: 2.0799507097779357
Energy: 2.1271495620435297
Energy: 2.16043000226691
Energy: 2.1032368471815865
Energy: 2.132289501189448
Energy: 2.1150852231083066
Energy: 2.2403486531947974
Energy: 2.1294179367233927
Energy: 2.1553442375102443
Energy: 2.138172797362056
Energy: 2.2481785329284
Energy: 2.1091793437342976
Energy: 2.159415893479572
Energy: 2.132106751888916
Energy: 2.1589100550577283
Energy: 2.140366237875733
Energy: 2.173469447602084
Energy: 2.110984154314194
Energy: 2.1270993199328494
Energy: 2.2561494389351546
Energy: 2.262773199809244
Energy: 2.2323003424665155
Energy: 2.2323945728139147
Energy: 2.2486670132855164
Energy: 2.2635020428101664
Energy: 2.2234792929392695
Energy: 2.281545016887111
Energy: 2.296004052646202
Energy: 2.2003974575187453
Energy: 2.225157336854003
Energy: 2.2924770536528962
Energy: 2.2349946252637327
Energy: 2.2165712010043004
Energy: 2.305467728711889
Energy: 2.2939298842255846
Energy: 2.182275127572517
Energy: 2.174946086429479
Energy: 2.2435327006531653
Energy: 2.0860540364343145
Energy: 2.2097062361473383
Energy: 2.2696072989945684
Energy: 2.2449808293653746
Energy: 2.259636227861642
Energy: 2.28214997807323
Energy: 2.3565680080265747
Energy: 2.244375524504792
Energy: 2.267609498841558
Energy: 2.2263709722056806
Energy: 2.318538825828675
Energy: 2.279965199606309
Energy: 2.2489974648009037
Energy: 2.315134845355976
Energy: 2.284435234815766
Energy: 2.235836408961008
Energy: 2.1962791173801883
Energy: 2.256880924989487
Energy: 2.213959432819465
Energy: 2.1747013970252804
Energy: 2.2894144124100477
Energy: 2.164590906270069
Energy: 2.2143331442905936
Energy: 2.2554756014928827
Energy: 2.2703517835143474
Energy: 2.189835653694181
Energy: 2.190662517236713
Energy: 2.236441444009659
Energy: 2.188033342482259
Energy: 2.223659344004252
Energy: 2.1935743791489255
Energy: 2.2365468711288483
Energy: 2.232801214581435
Energy: 2.189446370928114
Energy: 2.190964074190115
Energy: 2.2361308992495275
Energy: 2.2478337598478335
Energy: 2.0737917792686176
Energy: 2.0707437731124902
Energy: 2.0753201450259424
Energy: 2.138731057753511
Energy: 2.1132249692419793
Energy: 2.178650577139772
Energy: 2.1623094645653187
Energy: 2.0827852241167704
Energy: 2.201292822872215
Energy: 2.1750295204908117
Energy: 2.0851736628818642
Energy: 2.125749797864722
Energy: 2.17898783070532
Energy: 2.0880659577160863
Energy: 2.1445051827030124
Energy: 2.070520053537657
Energy: 2.303948931753628
Energy: 2.118731656833454
Energy: 2.0944749813058205
Energy: 2.107522830825371
Energy: 2.2376473093959626
Energy: 2.1180719149629508
Energy: 2.148545207071123
Energy: 2.1326635619819005
Energy: 2.136841721559349
Energy: 2.127949861672586
Energy: 2.135477759736119
Energy: 2.119131930299628
Energy: 2.2322584950083377
Energy: 2.251747554749609
Energy: 2.3120394760176435
Energy: 2.2725955108356954
Energy: 2.2677743169618547
Energy: 2.225073972158179
Energy: 2.3035214380423943
Energy: 2.258605281841588
Energy: 2.2810262971047544
Energy: 2.293148836569366
Energy: 2.2010893128362796
Energy: 2.1755550198541833
Energy: 2.2590541468750165
Energy: 2.3008563598043428
Energy: 2.262017548380275
Energy: 2.29725454578088
Energy: 2.1902088121091117
Energy: 2.160811339867116
Energy: 2.1717241150557403
Energy: 2.2720996204539916
Energy: 2.228626028107631
Energy: 2.3049162574826334
Energy: 2.225223181671389
Energy: 2.2498319058327794
Energy: 2.3442327436028947
Energy: 2.404909640721602
Energy: 2.1056323876904726
Energy: 2.275160083987538
Energy: 2.289609121867706
Energy: 2.22652750608264
Energy: 2.1651689678192536
Energy: 2.154140229228291
Energy: 2.2083605128040595
Energy: 2.149668507464584
Energy: 2.1362163078366496
Energy: 2.2477931835258933
Energy: 2.186647195610294
Energy: 2.166044550012949
Energy: 2.150215951456639
Energy: 2.1621946996521397
Energy: 2.1424002474499764
Energy: 2.170754739114912
Energy: 2.2170095386279276
Energy: 2.317242047417742
Energy: 2.2196104382076545
Energy: 2.1893387184151827
Energy: 2.19060925218678
Energy: 7.537378091288105
Energy: 2.206475826928824

minimum gb energy = 1.9160759461618235 eV
minimum distance =  2.44116971925369 Angstroms
sigma value = 39


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

Energy: 2.5437047691557666
Energy: 2.214858958485194
Energy: 10.030987325249564
Energy: 2.1884944154317996
Energy: 2.187734058584319
Energy: 10.136757094177698
Energy: 2.3205389172515503
Energy: 1.9253590051644658
Energy: 2.028773479241459
Energy: 2.028389511734884
Energy: 2.0495005074845807
Energy: 2.005352677915821
Energy: 2.021568905876714
Energy: 2.0662449239569276
Energy: 2.023826766507348
Energy: 2.0308326407079
Energy: 1.970725568730107
Energy: 2.0260264191436734
Energy: 2.0273685211111605
Energy: 1.98216432060018
Energy: 2.0767669813053495
Energy: 2.1249778005679207
Energy: 1.8462815148225329
Energy: 2.0492210872987866
Energy: 2.059615784476997
Energy: 1.942926616542154
Energy: 1.8456512473384905
Energy: 2.059564507067927
Energy: 2.0830066280981967
Energy: 1.9888801400475902
Energy: 1.9775105504798745
Energy: 1.9917209720110616
Energy: 2.0626303498434764
Energy: 1.9776959317175056
Energy: 1.9616376429620657
Energy: 2.058253182895786
Energy: 1.987275144274877
Energy: 1.954715820991757
Energy: 2.0018439150302023
Energy: 2.034938024027198
Energy: 1.9786658266074415
Energy: 1.9509408570426912
Energy: 2.0005231435032216
Energy: 2.019208258715724
Energy: 1.9670084948469553
Energy: 1.9760716376820184
Energy: 1.9965014502435519
Energy: 1.9877128202787073
Energy: 1.9650325114882454
Energy: 1.9944924184178616
Energy: 2.0145230568431005
Energy: 2.0536638052191125
Energy: 1.9898924125273865
Energy: 2.0009735957833077
Energy: 2.0288007857575754
Energy: 2.0924350298543044
Energy: 2.1209245561829144
Energy: 2.129755686197026
Energy: 2.236561461565142
Energy: 2.1107437768877735
Energy: 2.1308381641477765
Energy: 2.24107054362806
Energy: 2.1343353123306317
Energy: 2.1098456903303062
Energy: 2.1304964137341176
Energy: 2.238107350063299
Energy: 2.121631518372164
Energy: 2.129544932683179
Energy: 2.2596641435423037
Energy: 2.1994359790572693
Energy: 1.9976052887964417
Energy: 2.0888725977564224
Energy: 2.0348988110936697
Energy: 2.0830717707080115
Energy: 2.1043096689197935
Energy: 2.085883819665323
Energy: 2.0703695481965205
Energy: 2.0657091032302595
Energy: 1.9967383045484708
Energy: 1.989205640682293
Energy: 2.0457683525260206
Energy: 2.0236532112712844
Energy: 2.0695520324592396
Energy: 2.072790955179648
Energy: 2.1213505342777155
Energy: 2.1808048385661225
Energy: 2.309293621437587
Energy: 2.2012397972605213
Energy: 2.2377252784249095
Energy: 2.199931532578265
Energy: 2.3125034286909263
Energy: 2.0239765270423793
Energy: 2.0435406844037662
Energy: 1.9783281351294173
Energy: 2.0274524856000307
Energy: 1.9699950638481
Energy: 2.1510671139669792
Energy: 2.0674704516815123
Energy: 2.0769707829695503
Energy: 2.1958020574905075
Energy: 2.2385228796812915
Energy: 2.155734247216072
Energy: 2.1165418650334558
Energy: 2.259895351950235
Energy: 2.117304240404516
Energy: 2.1869245852042227
Energy: 9.647183176041622
Energy: 9.957704948844642
Energy: 2.212895989113888
Energy: 2.1902702032628447
Energy: 9.920140910793267
Energy: 2.1871335247519776
Energy: 2.0243926194601163
Energy: 2.0288819696873
Energy: 2.0282245914140566
Energy: 2.049216372844876
Energy: 2.004961828116822
Energy: 2.0257394849590127
Energy: 2.0660389826412215
Energy: 2.0194620712681473
Energy: 2.0289546231329476
Energy: 1.970897049307426
Energy: 2.0262498097933856
Energy: 2.0237982224440065
Energy: 1.975754573890953
Energy: 2.076437170884033
Energy: 2.1265297984754987
Energy: 1.8462444702619385
Energy: 2.051628751427538
Energy: 2.059675473626927
Energy: 1.9428069857876555
Energy: 1.8455967879034838
Energy: 2.0594405283049304
Energy: 2.0929793121647107
Energy: 1.9885674374252924
Energy: 1.9781090827344177
Energy: 1.9915996972997947
Energy: 2.063057935119497
Energy: 1.9773490602867598
Energy: 2.00605827523943
Energy: 2.061019413859184
Energy: 1.9870637039644183
Energy: 1.954896078001804
Energy: 2.00179185458096
Energy: 2.0349137323255544
Energy: 1.979370853208335
Energy: 1.9519478008429043
Energy: 2.0005437209958665
Energy: 2.019236428236554
Energy: 1.9674681124699214
Energy: 1.9795564935243986
Energy: 1.9967781774561266
Energy: 1.9875177176415297
Energy: 1.9642135303363073
Energy: 1.9947182408468214
Energy: 2.0144480737447075
Energy: 2.0321215109581394
Energy: 1.9897690453501509
Energy: 2.0013634654630725
Energy: 2.0301558622164997
Energy: 2.0919383193310903
Energy: 2.118904178421104
Energy: 2.1297855348489567
Energy: 2.2370374916846387
Energy: 2.11037263207324
Energy: 2.131147511195931
Energy: 2.2406657104831074
Energy: 2.134228607133657
Energy: 2.1101863655803657
Energy: 2.1293706900967804
Energy: 2.2389854042492927
Energy: 2.1210285539697074
Energy: 2.1311847543862186
Energy: 2.260323335481983
Energy: 2.1999973145215828
Energy: 1.9980219180484546
Energy: 2.061111028597705
Energy: 2.0345970895220797
Energy: 2.079552936541122
Energy: 1.9988281495019213
Energy: 2.0862029926496692
Energy: 2.069901630011246
Energy: 2.065012790393577
Energy: 2.027991761391009
Energy: 1.9887041979978675
Energy: 2.0461781660756135
Energy: 2.0237458899839
Energy: 2.0710594350574127
Energy: 2.1908655621477813
Energy: 2.1849115427006818
Energy: 2.1802676889071657
Energy: 2.3096045180810316
Energy: 2.19991304386424
Energy: 2.2382427142119976
Energy: 2.160723489346934
Energy: 2.3127267164569894
Energy: 2.0245341657503597
Energy: 2.043494826229069
Energy: 1.9795822854385572
Energy: 2.028194339239749
Energy: 1.9703500632586295
Energy: 2.1506392328139268
Energy: 2.068158599765985
Energy: 2.076946187697671
Energy: 2.1957125014051395
Energy: 2.2381297604073
Energy: 2.155658714081859
Energy: 2.1171686838890573
Energy: 2.260174683189952
Energy: 2.114996132461651

minimum gb energy = 1.8455967879034838 eV
minimum distance =  2.4285838378999 Angstroms
sigma value = 21


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

Energy: 2.808619652908684
Energy: 1.9899110935580344
Energy: 10.027045400975194
Energy: 2.08890842255319
Energy: 2.0101285563926994
Energy: 10.022444972976844
Energy: 2.137999648852033
Energy: 1.889936531596776
Energy: 1.8227150398077978
Energy: 1.9210947962264766
Energy: 1.7595500987538453
Energy: 1.7795260668656159
Energy: 1.8679193561384124
Energy: 1.9343407410405278
Energy: 1.842736149608431
Energy: 1.7747369698269
Energy: 1.7798060050751405
Energy: 1.8163319680013255
Energy: 1.9397017614478247
Energy: 1.8408880908190095
Energy: 1.779559416485651
Energy: 1.9234900821748029
Energy: 1.833319135510601
Energy: 1.7073463944481881
Energy: 9.350285615241233
Energy: 1.834340820582584
Energy: 1.7074208826915556
Energy: 1.882773192333898
Energy: 1.774530545788032
Energy: 1.6985900141303514
Energy: 1.779673352286035
Energy: 1.8333970055017401
Energy: 1.923654321644377
Energy: 1.7057055717002307
Energy: 1.778935111325383
Energy: 1.750794674788242
Energy: 1.7497317672077592
Energy: 1.7711031471341094
Energy: 1.696365168944878
Energy: 1.7387395926884004
Energy: 1.7473949940307132
Energy: 1.7716297410980422
Energy: 1.760721961161277
Energy: 1.7741133347544311
Energy: 1.6501256379483245
Energy: 1.7382657186000101
Energy: 1.6715796013933912
Energy: 1.780835976137532
Energy: 1.7078978376361236
Energy: 1.6706129047883536
Energy: 1.7179906653693804
Energy: 1.7028133928350535
Energy: 1.6702857031573375
Energy: 1.6708969273030083
Energy: 1.7734129646932326
Energy: 1.7677183592105417
Energy: 1.670335776346385
Energy: 1.7133914377688564
Energy: 1.8094680979519817
Energy: 1.6696975765828586
Energy: 1.6713010536853135
Energy: 1.714957694355985
Energy: 1.8098550641099909
Energy: 1.611257221302994
Energy: 1.613402890651942
Energy: 1.7862320071584474
Energy: 1.6124934461794023
Energy: 1.6103522892565092
Energy: 1.783771232114057
Energy: 1.610864447406121
Energy: 1.7594763615803157
Energy: 1.747214183098579
Energy: 1.7754903168472618
Energy: 1.7541608230812136
Energy: 1.737592771306758
Energy: 1.774492883323462
Energy: 1.754171695314153
Energy: 1.813922103281919
Energy: 1.788727250528593
Energy: 1.6588409652846092
Energy: 1.7542069101454956
Energy: 1.7907090383803765
Energy: 1.7314195987711234
Energy: 1.7773692085162147
Energy: 1.610198001657319
Energy: 1.65666982118508
Energy: 1.6148109122927188
Energy: 1.609703827527483
Energy: 1.7841378765014033
Energy: 1.6096016953115373
Energy: 1.6102323231341913
Energy: 1.764195407725254
Energy: 1.6939475406820659
Energy: 1.6119229654287426
Energy: 1.6527463105809876
Energy: 1.7209124960682942
Energy: 1.6121084644254953
Energy: 1.6094924128258963
Energy: 1.872803389710456
Energy: 1.7148205881806435
Energy: 1.6694879408142704
Energy: 1.669925963718727
Energy: 1.8279619380599952
Energy: 1.6933910157152665
Energy: 1.6704151966325251
Energy: 1.7620383079802713
Energy: 1.8289603941559933
Energy: 1.671057152283935
Energy: 1.736913253345997
Energy: 1.8407858574998244
Energy: 1.6725323421623257
Energy: 1.7392082338288126
Energy: 1.761668943737379
Energy: 1.7297897955702806
Energy: 1.6719089830822382
Energy: 1.692611372122043
Energy: 1.7696879330010062
Energy: 1.6995038541088168
Energy: 1.7608022524215994
Energy: 1.7788561127452602
Energy: 1.7749594460533868
Energy: 1.8687518837354735
Energy: 1.7795416393630759
Energy: 1.7790899187435494
Energy: 1.7746674804078122
Energy: 1.799808624560741
Energy: 1.8839326893722246
Energy: 1.6986005584431432
Energy: 1.8481568519056255
Energy: 1.8841852042469198
Energy: 1.7071079804799147
Energy: 1.712585896115428
Energy: 2.0179526454099883
Energy: 1.7789706388017794
Energy: 1.774856413798441
Energy: 1.8610483367794894
Energy: 1.7799977291366147
Energy: 1.8821943645062025
Energy: 1.798384930620407
Energy: 1.9236913942703753
Energy: 1.780116802562287
Energy: 1.7748727222831437
Energy: 1.9219618474735651
Energy: 1.934139382490037
Energy: 1.7797298728963276
Energy: 1.7614364750221727
Energy: 1.862833102393779
Energy: 1.9193520593511082
Energy: 1.7203921333664027
Energy: 2.038284071578307
Energy: 1.9677582862396779
Energy: 1.7849445415914205
Energy: 1.7269213704059256
Energy: 2.0016364660989527
Energy: 1.9183102294065062
Energy: 1.740695160040984
Energy: 2.0032153182345187
Energy: 2.0430426455582977
Energy: 1.7856905684999238
Energy: 1.7064873155521876
Energy: 2.001793516183992
Energy: 1.934989730953927
Energy: 1.8210586376428624
Energy: 1.923085131309625
Energy: 1.9343197167737778
Energy: 1.921080556481931
Energy: 1.960556640327697
Energy: 1.9356921992618898
Energy: 2.0020538642291785
Energy: 1.9512645442176577
Energy: 1.9275447617581416
Energy: 1.8914558942443687
Energy: 2.0020849406988677
Energy: 1.8685699740915556
Energy: 1.9717571765971202

minimum gb energy = 1.6094924128258963 eV
minimum distance =  2.5046094938589 Angstroms
sigma value = 113


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

Energy: 2.7923968458706856
Energy: 1.5025839036613482
Energy: 7.150899771315294
Energy: 7.46534540703664
Energy: 1.839823423289702
Energy: 7.231868866912164
Energy: 1.5017322477819084
Energy: 1.6216610902912714
Energy: 1.567547260242473
Energy: 1.68407966705742
Energy: 1.593087392825248
Energy: 1.6032242383333508
Energy: 1.5755325280335153
Energy: 1.6080413273109975
Energy: 1.5840513017718623
Energy: 1.5695632448756334
Energy: 1.5973402836834165
Energy: 1.5956861699605618
Energy: 1.5504796579651885
Energy: 1.605836917023377
Energy: 1.5810282163330591
Energy: 1.5080563017269577
Energy: 1.658112979863364
Energy: 1.5693749508886086
Energy: 6.911025992194023
Energy: 1.5337979476478802
Energy: 1.5699056867416634
Energy: 1.5895753612368564
Energy: 1.4986748056615375
Energy: 1.5664045357559333
Energy: 1.557329846518224
Energy: 1.575028290849502
Energy: 1.557942363278514
Energy: 1.5690164786534284
Energy: 1.5624222652450663
Energy: 1.518739504764235
Energy: 1.5657935795673446
Energy: 1.5781223142485674
Energy: 1.5433202301885007
Energy: 1.5175033476419606
Energy: 1.5934165195306176
Energy: 1.5860741982479503
Energy: 1.5189836073843974
Energy: 1.73700717264336
Energy: 1.5360940700142478
Energy: 1.573863585677527
Energy: 1.5181140455570978
Energy: 1.5704917935706044
Energy: 1.54199927833333
Energy: 1.518341331085591
Energy: 1.6955703185904
Energy: 1.5218435309579814
Energy: 1.4909261155182136
Energy: 1.5177752705933116
Energy: 1.5569925483723206
Energy: 1.5053042854987295
Energy: 1.5185220795041545
Energy: 1.5440154865093862
Energy: 1.5440130632972673
Energy: 1.5137254574763677
Energy: 1.518391534019736
Energy: 1.5428433439495464
Energy: 1.512040458697062
Energy: 1.4560640336359925
Energy: 1.4969455350672614
Energy: 1.468929921646852
Energy: 1.5543944005241825
Energy: 1.4949391974906303
Energy: 1.5100365910527418
Energy: 1.5049185628767245
Energy: 1.4930249075202262
Energy: 1.4752854027322946
Energy: 1.4841027911404823
Energy: 1.4926206315569506
Energy: 1.4935820434238176
Energy: 1.498280425689943
Energy: 1.5093468484190669
Energy: 1.4913532949709276
Energy: 1.5181295780841002
Energy: 1.5116608130188225
Energy: 1.4930153161693072
Energy: 1.5054708572675588
Energy: 1.491403707960724
Energy: 1.4951419860159114
Energy: 1.507312093717869
Energy: 1.4545513590835757
Energy: 1.4305771848785156
Energy: 1.4562020888192817
Energy: 1.4628666106173949
Energy: 1.460883938550225
Energy: 1.4492127445814724
Energy: 1.5031361004577
Energy: 1.4153747341563734
Energy: 1.4259861032034693
Energy: 1.421220993816219
Energy: 1.4930319511433692
Energy: 1.4406129946165533
Energy: 1.4256952210449396
Energy: 1.524566032039709
Energy: 1.4744938884916345
Energy: 1.4335181778688764
Energy: 1.4656912211535835
Energy: 1.4970113641931984
Energy: 1.4782084640648159
Energy: 1.4346047159787403
Energy: 1.396333332734162
Energy: 1.4802623170095799
Energy: 1.422811391905227
Energy: 1.437098644997268
Energy: 1.4004310540307146
Energy: 1.478080795727594
Energy: 1.4699499824772169
Energy: 1.4065585448974869
Energy: 1.4557655976208816
Energy: 1.413535698224985
Energy: 1.4308517061867565
Energy: 1.4183225477221835
Energy: 1.4346445388845626
Energy: 1.4231524635627397
Energy: 1.413166401729124
Energy: 1.475630690295672
Energy: 1.5130581934238962
Energy: 1.4095359382829786
Energy: 1.4062945160215787
Energy: 1.4678362876611888
Energy: 1.4895377444072786
Energy: 1.4062654282388602
Energy: 1.4575576411242814
Energy: 1.516679843811124
Energy: 1.4045250682136228
Energy: 1.4106229264640804
Energy: 1.4570846409006486
Energy: 1.5032893014499595
Energy: 1.3722785490992264
Energy: 1.3960378442765293
Energy: 1.4240783091819487
Energy: 1.3699069543556883
Energy: 1.3849396403127139
Energy: 1.4446080605615592
Energy: 1.4944935773489876
Energy: 1.4572933688916136
Energy: 1.480778680906848
Energy: 1.4937038974429977
Energy: 1.4508863969881107
Energy: 1.4542444155127787
Energy: 1.4917603025624542
Energy: 1.464514614722899
Energy: 1.477531419736228
Energy: 1.483714105379627
Energy: 1.4127336330205666
Energy: 1.4717450133189138
Energy: 1.4615920032560568
Energy: 1.4523409940293874
Energy: 1.468809771481485
Energy: 1.4434176167643724
Energy: 1.4249085672515833
Energy: 1.3809592067518501
Energy: 1.3689315986351962
Energy: 1.4151262826613993
Energy: 1.3965945384701635
Energy: 1.3742648868324427
Energy: 1.5138267920743176
Energy: 1.45835936440167
Energy: 1.4047443461698637
Energy: 1.4384182479756258
Energy: 1.485778868786823
Energy: 1.4502247979452874
Energy: 1.40590393385982
Energy: 1.5390906731248406
Energy: 1.4880392618193274
Energy: 1.4308915092227863
Energy: 1.4629601720142795
Energy: 1.514055810518701
Energy: 1.4972231554204336
Energy: 1.4129297764332767
Energy: 1.433859288534056
Energy: 1.4288986742119414
Energy: 1.4149539566900318
Energy: 1.4060652698138862
Energy: 1.4638326165520898
Energy: 1.481835697718839
Energy: 1.462670092598608
Energy: 1.4571821560054854
Energy: 1.4317900654346558
Energy: 1.4071124417703587
Energy: 1.4279392418079593
Energy: 1.4459957782025648
Energy: 1.4294847739055674
Energy: 1.4445189012233106
Energy: 1.4343444752462595
Energy: 1.4900580137472321
Energy: 1.5207119675015703
Energy: 1.432973438635135
Energy: 1.4322476015889147
Energy: 1.477536704522403
Energy: 1.516981361920967
Energy: 1.425835756644951
Energy: 1.4522403090104472
Energy: 1.4672101007256184
Energy: 1.4208129976968673
Energy: 1.4413239151450317
Energy: 1.4540326342350562
Energy: 1.4577830236185292
Energy: 1.425407941596674
Energy: 1.4451796335821667
Energy: 1.565886676629287
Energy: 1.42266788188903
Energy: 1.4387719233845024
Energy: 1.4874203264688077
Energy: 1.5146437077926282
Energy: 1.507409946607176
Energy: 1.4924190680473506
Energy: 1.5366535651586921
Energy: 1.5097966341242588
Energy: 1.4754118464073323
Energy: 1.5178862885041888
Energy: 1.5040974501718642
Energy: 1.4935560037515803
Energy: 1.4651902407175634
Energy: 1.4936786917579865
Energy: 1.516550244192659
Energy: 1.4750612074927982
Energy: 1.4776504127624088
Energy: 1.4928541345932849
Energy: 1.5067524142806041
Energy: 1.506839079467324
Energy: 1.5017079373199675
Energy: 1.5741686176776268
Energy: 1.509145824776423
Energy: 1.4987580568487844
Energy: 1.4912812774953126
Energy: 1.5631469456862292
Energy: 1.54406836594746
Energy: 1.5244248993907556
Energy: 1.5804405245356432
Energy: 1.5414726529313487
Energy: 1.5477903184137352
Energy: 1.5227600780167954
Energy: 1.4861519360612565
Energy: 1.5479327402178822
Energy: 1.4996475817462043
Energy: 1.5171016138945368
Energy: 1.5212472033453928
Energy: 1.5619728093457168
Energy: 1.5279261387452954
Energy: 1.5037097053890993
Energy: 1.5673914155987336
Energy: 1.49952090656026
Energy: 1.5086101730932544
Energy: 1.5526516300809254
Energy: 1.5853878894860793
Energy: 1.5177277874321797
Energy: 1.5936360827561078
Energy: 1.5615411845435883
Energy: 1.5201166764286629
Energy: 1.6225885400526034
Energy: 1.6004300799643658
Energy: 1.544891850488407
Energy: 1.5307530990660265
Energy: 1.5901113431927592
Energy: 1.5596857415367678
Energy: 1.5597403749594108
Energy: 1.6073694230282536
Energy: 1.5843927920594565
Energy: 1.55985783216593
Energy: 1.5434010484996048
Energy: 1.591225012210515
Energy: 1.7127393897393248
Energy: 1.5018880524295763
Energy: 1.581788556058532
Energy: 1.569834223523261
Energy: 1.5025855913410382
Energy: 1.7562919511336672
Energy: 1.5939759319050317
Energy: 1.5759324204971266
Energy: 1.635166647992701
Energy: 1.5862696482720517
Energy: 1.5905939293665519
Energy: 1.5895177724595102
Energy: 1.6093326474680971
Energy: 1.5606650440693055
Energy: 1.5659004458671932
Energy: 1.60717615152892
Energy: 1.5837621742792762
Energy: 1.5973013782040704
Energy: 1.6020062358966842
Energy: 1.6241570707638127
Energy: 11.121464458901851
Energy: 1.7833062831720525
Energy: 1.6085205040506874
Energy: 7.368062640575351
Energy: 7.409121079193573
Energy: 1.5627420571140263
Energy: 7.543855287968506
Energy: 1.6324014206891608
Energy: 1.5581155712478103
Energy: 1.5935858697265892
Energy: 1.5724678871139564
Energy: 1.5973116931218618
Energy: 1.615909869912221
Energy: 1.5537429498203732
Energy: 1.577373826687611
Energy: 1.578428242992502
Energy: 1.6348697885791699
Energy: 1.5832626272715045
Energy: 1.5974621713276593
Energy: 1.5922439305325111
Energy: 1.6103402422278912
Energy: 1.6463714765659223
Energy: 6.821079598403898
Energy: 1.5492838753117613
Energy: 1.6170936160966947
Energy: 1.6215881134070687
Energy: 6.9163172909867034
Energy: 1.5014958038085906

minimum gb energy = 1.3689315986351962 eV
minimum distance =  2.50867258725148 Angstroms
sigma value = 365


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

Energy: 30.39219055150222
Energy: 17.364187992300998
Energy: 17.412812149644367
Energy: 17.406052235556825
Energy: 17.420523069030036
Energy: 17.415445266555263
Energy: 17.2950766755125
Energy: 1.3969982462551347
Energy: 17.931426812253967
Energy: 26.516697173086982
Energy: 0.550755816587376
Energy: 0.5526732108087213
Energy: 23.55195237390067
Energy: 28.435754806441345
Energy: 29.077158154252594
Energy: 10.005641604929274
Energy: 12.36407994614998
Energy: 0.5513434836799647
Energy: 2.52802077921544
Energy: 0.5510048489175533
Energy: 9.961893160066454
Energy: 30.23753323967358
Energy: 18.472748732245133
Energy: 17.406128526690424
Energy: 17.36734242811153
Energy: 17.422290205397807
Energy: 17.280601075893934
Energy: 17.429061117038643
Energy: 1.7056828765556271
Energy: 1.7056664426613253
Energy: 1.6901524417129066
Energy: 1.809448986044119
Energy: 1.7989993779427023
Energy: 14.78443227907129
Energy: 14.822867465928372
Energy: 10.488225134463871
Energy: 0.5507248066910577
Energy: 0.5507360649476631
Energy: 19.5773919414215
Energy: 11.761206177820949
Energy: 13.352965548087342
Energy: 0.5505037714178819
Energy: 1.7073987911947697
Energy: 14.577155107241264
Energy: 1.803823095244817
Energy: 2.0488547743428436
Energy: 17.55951116523667
Energy: 1.7985272806717019
Energy: 1.7066348274755603
Energy: 1.7081114497001686
Energy: 1.7074640675864317
Energy: 1.8446833126215803
Energy: 17.38884693329717
Energy: 17.418012541071224
Energy: 1.8119695712473933
Energy: 14.768168140680093
Energy: 11.919128652877173
Energy: 0.5508099317251154
Energy: 0.5502348704083159
Energy: 13.891461064282977
Energy: 21.975420039673438
Energy: 12.109978303674355
Energy: 0.5504111195281561
Energy: 1.7065503631302956
Energy: 1.706344230452727
Energy: 14.79824845526835
Energy: 14.681957644535059
Energy: 1.7059378211692868
Energy: 1.708420189567097
Energy: 1.7062769511967697
Energy: 30.456059085304446
Energy: 30.39472463894109
Energy: 17.38530798112824
Energy: 17.36575629534893
Energy: 17.421676988209192
Energy: 17.311720645179832
Energy: 17.34810413295741
Energy: 25.05392087433881
Energy: 13.111802625355637
Energy: 10.57853309627876
Energy: 0.550996149259727
Energy: 0.5530053199063443
Energy: 1.538752089244602
Energy: 15.156937687170373
Energy: 28.652700269482
Energy: 18.346246481251573
Energy: 6.9640258789700304
Energy: 0.5507297156638459
Energy: 0.551272594017051
Energy: 26.357962301728065
Energy: 28.546542447958654
Energy: 30.47283088533844
Energy: 30.406306160691784
Energy: 17.327216754976458
Energy: 17.31975034548194
Energy: 17.44635507506069
Energy: 17.384102078984583
Energy: 17.317691936656853
Energy: 1.7067089834617815
Energy: 1.7056372211244837
Energy: 1.6906003085710384
Energy: 5.792071412700257
Energy: 0.5451657739973402
Energy: 26.39917100646099
Energy: 4.530524067081329
Energy: 8.802719098949595
Energy: 1.139780474473068
Energy: 0.5505257286198604
Energy: 0.5514658452667143
Energy: 12.049580385698983
Energy: 13.240050419960806
Energy: 0.5506948903026022
Energy: 30.40890691730553
Energy: 19.176967042241237
Energy: 17.562280227093964
Energy: 17.327943693368553
Energy: 17.37025072902213
Energy: 17.398208450574174
Energy: 17.318300699112264
Energy: 1.706188940272337
Energy: 1.7068664629721495
Energy: 1.6911900343286768
Energy: 1.8003988538960836
Energy: 1.799672618342567
Energy: 14.691452489120667
Energy: 14.84944766378002
Energy: 11.13386535450448
Energy: 0.5508119943207518
Energy: 0.5509723707798221
Energy: 0.5514219654413369
Energy: 0.5533353606928172
Energy: 35.877513252011724
Energy: 0.5503167388338523
Energy: 1.7084433780801447
Energy: 14.729140317242559
Energy: 14.40495366167708
Energy: 1.8001859946885561
Energy: 17.525361807759282
Energy: 1.7994158856717095
Energy: 1.706038344661948

minimum gb energy = 0.5451657739973402 eV
minimum distance =  2.61065047523165 Angstroms
sigma value = 23