Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.5402784093299027
mass=63.546
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=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-18]
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: 425.3197671066902
Energy: 437.70539645876335
Energy: 436.9650410990737
Energy: 436.1168972418027
Energy: 438.3174669151196
Energy: 440.29004377508926
Energy: 426.4591480635244
Energy: 435.78701995114966
Energy: 431.8736480141677
Energy: 421.9121844271851
Energy: 438.5683537044397
Energy: 435.0065182676308
Energy: 426.0705507429109
Energy: 430.4732157061889
Energy: 425.5471232375689
Energy: 437.1684123909693
Energy: 437.99876268287926
Energy: 438.380432731153
Energy: 432.15239554720574
Energy: 429.9527940046863
Energy: 430.41851053911245
Energy: 425.30458809915035
Energy: 436.81593858246555
Energy: 439.72417742305
Energy: 438.19405143058344
Energy: 436.1131056090157
Energy: 430.5392830832809
Energy: 426.30075457261154
Energy: 430.40020658188246
Energy: 432.85802533065555
Energy: 421.4799433830208
Energy: 438.0082693204288
Energy: 431.83053080068936
Energy: 426.16237208734594
Energy: 430.6959340178058
Energy: 425.4734106400387
Energy: 436.1405568283678
Energy: 436.7675415025763
Energy: 438.1649726012212
Energy: 437.7271411221872
Energy: 435.0364706133449
Energy: 430.47450937755684

minimum gb energy = 421.4799433830208 eV
minimum distance =  2.49416288000281 Angstroms
sigma value = 5


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

Energy: 695.4737414062504
Energy: 701.1322229937261
Energy: 697.6539137853165
Energy: 696.8580106648521
Energy: 696.2090171728416
Energy: 697.378914327908
Energy: 696.5848939578474
Energy: 700.3397635596226
Energy: 700.6386415887783
Energy: 698.8466318174026
Energy: 696.9421488705938
Energy: 700.0799462067798
Energy: 699.1535831682565
Energy: 697.7181034310186
Energy: 697.0327749310104
Energy: 700.3803110274581
Energy: 698.3659647247787
Energy: 696.3669373359019
Energy: 700.0832440744091
Energy: 697.9475571822314
Energy: 700.6322708306584
Energy: 698.8281895568907
Energy: 697.3136294260104
Energy: 696.4083631330586
Energy: 700.5200193753152
Energy: 700.2155824191511
Energy: 697.3953307575465
Energy: 697.4502852679171
Energy: 695.3208519361344
Energy: 700.5202213669347
Energy: 696.2053541420136
Energy: 698.2938421670281
Energy: 696.9618759070968
Energy: 695.9643694938192
Energy: 700.0288409456076
Energy: 698.4713885241353
Energy: 698.1767458617511
Energy: 698.462893480085
Energy: 698.8203329224348
Energy: 699.250343272906
Energy: 698.4384271658936
Energy: 699.792333195025
Energy: 697.3831603928911
Energy: 698.8671904506178
Energy: 699.0681405464095
Energy: 700.0447744173567
Energy: 698.8994593705484
Energy: 698.2562278108269
Energy: 698.9150290169619
Energy: 695.9555694865675
Energy: 700.2017957038913
Energy: 699.2877235823278
Energy: 699.2686437988233
Energy: 698.8245813181757
Energy: 699.481255220615
Energy: 700.0906822762272
Energy: 697.9894316227411
Energy: 699.5126417537876
Energy: 697.5122066473152
Energy: 697.4655614830596
Energy: 698.5106763124944
Energy: 698.1721660248661
Energy: 698.9400216303853
Energy: 696.6283293667341
Energy: 697.1115025323659
Energy: 696.6225653648836
Energy: 696.075505337892
Energy: 697.5479834777466
Energy: 697.2599092988288
Energy: 700.5578178181139
Energy: 695.795453482497
Energy: 696.8831276950482
Energy: 696.0818464083732
Energy: 700.0932060789847
Energy: 698.6072191546348
Energy: 698.6846623823086
Energy: 699.6319282509893
Energy: 696.9503092749052
Energy: 699.6960120755998
Energy: 695.8413861343183
Energy: 700.7458835992431
Energy: 696.7688833802953
Energy: 696.5894422242199
Energy: 699.2368344685107
Energy: 700.4075006184278
Energy: 700.6724647301767
Energy: 699.2906495182854
Energy: 700.314202586674
Energy: 700.7248089362864
Energy: 700.1143713573867
Energy: 699.664501698509
Energy: 695.1191613472308
Energy: 699.2630337180291
Energy: 697.39389314244
Energy: 696.7961044716502
Energy: 697.8243328862868
Energy: 697.8368859673843
Energy: 695.906788534904
Energy: 698.5506945134027
Energy: 698.6711101951743
Energy: 697.508394017116
Energy: 697.4101137623422
Energy: 697.422928951559
Energy: 699.5114569258636
Energy: 699.826489220427
Energy: 696.6046220216002
Energy: 698.7028173387203
Energy: 696.81349491694
Energy: 697.0163127825208
Energy: 698.9135477732906
Energy: 699.380694157397
Energy: 698.1893941393622
Energy: 695.127970224852
Energy: 697.1593785784246
Energy: 697.8353940403756
Energy: 700.0338148138293
Energy: 698.1943702773897
Energy: 697.0661866253473
Energy: 697.154751541159
Energy: 698.3290049556764
Energy: 698.0526820064538
Energy: 696.1839368556653
Energy: 698.2269677434216
Energy: 699.2568922340818
Energy: 698.2546111588264
Energy: 700.9414960744045
Energy: 695.7926952627512
Energy: 699.0935915501938
Energy: 699.2547741910394
Energy: 700.4177683513547
Energy: 699.8666521485649
Energy: 698.5892573033495
Energy: 700.4905030786566
Energy: 695.6693648517753
Energy: 697.7687110386981
Energy: 696.4787885544642
Energy: 697.6103216311197
Energy: 695.7000066320533
Energy: 696.8860170376502
Energy: 698.5579562018366
Energy: 699.6739040162299
Energy: 699.3750882108047
Energy: 699.3534228518098
Energy: 698.6378787157697
Energy: 700.6647214724404
Energy: 699.0472121147824
Energy: 700.5407537370763
Energy: 696.3722052162606
Energy: 700.1360529218198
Energy: 698.5486116231651
Energy: 701.0928124836423
Energy: 698.0760842059682
Energy: 697.6808472464501
Energy: 697.9742665315556
Energy: 696.0881415737182
Energy: 698.869141846475
Energy: 698.6768891098133
Energy: 699.721428553414
Energy: 699.8087857533245
Energy: 698.0302628389237
Energy: 700.565265563708
Energy: 695.8099755067143
Energy: 700.4481861051327
Energy: 697.6610356019173
Energy: 698.8154926971554
Energy: 698.9305106997759
Energy: 697.37695725718
Energy: 699.5847865774482
Energy: 697.4892015887693
Energy: 699.3603177081092
Energy: 697.6465560113656
Energy: 699.5452186817781
Energy: 699.3235027604889
Energy: 698.9721685786244
Energy: 699.8278590380588
Energy: 698.1684931416471
Energy: 700.2404835365552
Energy: 698.617831292928
Energy: 697.2584434959015
Energy: 698.5495016653549
Energy: 697.6848808785517
Energy: 700.5698096374094
Energy: 696.4072622121564
Energy: 699.6653449819922
Energy: 699.0812923986268
Energy: 698.6345505782862
Energy: 700.3922161350939
Energy: 699.7372143043809
Energy: 700.5450707282001
Energy: 698.9918539561178
Energy: 698.5543588832147
Energy: 695.7797725876816
Energy: 697.6098506528253
Energy: 696.5200799259002
Energy: 695.8498440282276
Energy: 700.7002808885617
Energy: 698.6753838908036
Energy: 700.4366387374719
Energy: 695.6739400958946
Energy: 697.867077882628
Energy: 697.989670931156
Energy: 695.7420702476556
Energy: 700.1747360189797
Energy: 695.8408096733975
Energy: 698.5691876913584
Energy: 698.9131108313145
Energy: 699.1333487332832
Energy: 699.4424582791299
Energy: 698.6646254812762
Energy: 697.6841467221836
Energy: 697.8193874946473
Energy: 700.0075689859673
Energy: 698.0185737700922
Energy: 699.7801857713869
Energy: 698.5688287994884
Energy: 699.5632986052781
Energy: 698.7677104345497
Energy: 697.2206228756694
Energy: 697.056125154425
Energy: 698.5825840647296
Energy: 698.7415582005898
Energy: 700.8209792650655
Energy: 697.9275367790751
Energy: 698.8482728822279
Energy: 696.8427825207181
Energy: 698.7532572143466
Energy: 697.2501080805873
Energy: 697.7167517854689
Energy: 695.9712841824809
Energy: 696.4804710798431
Energy: 697.09457144846
Energy: 697.1064894934714
Energy: 697.8439403621636
Energy: 697.270833233455
Energy: 699.608778773358
Energy: 697.6701576041967
Energy: 698.0278423702852
Energy: 700.1816339471627
Energy: 698.8573876948464
Energy: 700.3534232493306
Energy: 696.6579542598447
Energy: 700.3869394360372
Energy: 700.769436766119
Energy: 698.80724226604
Energy: 699.3354017577823
Energy: 697.3092154395879
Energy: 700.8860539807531
Energy: 698.5781826235369
Energy: 700.8962505049795
Energy: 700.3933650352689
Energy: 699.125891379828
Energy: 698.9464842214877
Energy: 695.0782607547783
Energy: 701.34652578298
Energy: 697.5464618429015
Energy: 698.3844915060968
Energy: 696.6694291046696
Energy: 698.461008792579
Energy: 697.7709750878953
Energy: 696.2166581544772
Energy: 701.1168715717662
Energy: 698.706466872844
Energy: 697.7759204219784
Energy: 697.7841040432143
Energy: 699.553587349066
Energy: 697.2577507386904
Energy: 697.9468055222447
Energy: 697.0924415561274
Energy: 697.5548116536548
Energy: 698.3223655533212
Energy: 697.6696665371405
Energy: 698.525817405012
Energy: 696.9682122277687
Energy: 695.6183604647118
Energy: 700.5762292229208
Energy: 699.3720994822907
Energy: 699.2802560622706
Energy: 699.3917035168482
Energy: 699.8806827275059
Energy: 701.1292938115153
Energy: 698.0382072688149
Energy: 700.5790844332483
Energy: 697.8282333647511
Energy: 698.717903805501
Energy: 696.4743530160699
Energy: 697.4769350080908
Energy: 700.6628527252923
Energy: 695.7764604247233
Energy: 699.0899134808041
Energy: 698.2944688924964
Energy: 697.6480080610196
Energy: 699.0925628044018
Energy: 696.3694918802502
Energy: 699.2819718365847
Energy: 694.9309354282535
Energy: 701.1372411181089
Energy: 697.4704272104003
Energy: 697.60914768594
Energy: 697.2153198365829
Energy: 697.3542328150043
Energy: 699.098949485182
Energy: 699.2184644297946
Energy: 696.926544189655
Energy: 699.9603831335245
Energy: 700.4911022284853
Energy: 699.5133690754622
Energy: 700.452635266248
Energy: 700.2455524679377
Energy: 697.1815786425755
Energy: 697.7706950972589
Energy: 698.1654963761596
Energy: 700.6509047935551
Energy: 700.7862857206065
Energy: 698.6276325936732
Energy: 698.0521465153798
Energy: 696.9686022508993
Energy: 696.9620269402027
Energy: 698.2539297807403
Energy: 698.1385458114738
Energy: 698.407939550797
Energy: 698.7323229149068
Energy: 700.316117097933
Energy: 696.8239144981388
Energy: 699.020282735978
Energy: 696.1060213932478
Energy: 696.8389738894003
Energy: 697.8892413661833
Energy: 696.0353858033695
Energy: 699.400633944336

minimum gb energy = 694.9309354282535 eV
minimum distance =  2.29028593114219 Angstroms
sigma value = 401


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

Energy: 613.4466358543586
Energy: 618.1541532047511
Energy: 614.1217743731991
Energy: 617.424042561941
Energy: 613.994200881398
Energy: 614.4202899963786
Energy: 616.3183645373902
Energy: 616.4875044267847
Energy: 618.1639410780244
Energy: 616.9215174474622
Energy: 618.5776290930521
Energy: 619.262177247099
Energy: 617.2495113809236
Energy: 617.6030048511179
Energy: 614.5707591584644
Energy: 618.9773200719345
Energy: 616.8038917126624
Energy: 614.6510289799231
Energy: 618.6337819802045
Energy: 618.5449081723721
Energy: 616.9650048237835
Energy: 614.2599836935902
Energy: 618.3179481196688
Energy: 618.3927878689567
Energy: 617.5232621100033
Energy: 616.5253975438969
Energy: 616.8914443831825
Energy: 619.5796545091586
Energy: 612.3613458043028
Energy: 619.3616856503028
Energy: 615.7617933823491
Energy: 616.0507365719923
Energy: 613.7840486902937
Energy: 616.8559803409692
Energy: 615.9867327856058
Energy: 614.6419314299834
Energy: 615.2249882821937
Energy: 614.8266905711421
Energy: 615.1818101547904
Energy: 616.2901882689374
Energy: 612.4540797753617
Energy: 618.8524812406212
Energy: 614.8393319481186
Energy: 617.9332464214409
Energy: 617.3772103326871
Energy: 618.1782897353527
Energy: 613.7957926890414
Energy: 616.8631263083128
Energy: 616.948157096249
Energy: 615.7039042054924
Energy: 619.0051381393033
Energy: 616.4593450091365
Energy: 618.5646346147133
Energy: 618.4328011674033
Energy: 614.3579400711048
Energy: 618.3189399855744
Energy: 614.0157787464358
Energy: 617.9315862987205
Energy: 613.3714767987971
Energy: 619.457930709365
Energy: 616.1957918835393
Energy: 613.995944012142
Energy: 617.7617927935524
Energy: 614.7531358491875
Energy: 616.4917017054138
Energy: 615.594611220817
Energy: 617.9605980318602
Energy: 616.8340166593307
Energy: 616.4243584781783
Energy: 618.2390565092446
Energy: 613.4857711740497
Energy: 614.9190648882993
Energy: 614.6927385753635
Energy: 614.063160575443
Energy: 616.4804322862931
Energy: 615.6283261599717
Energy: 614.7349159625869
Energy: 614.443181277116
Energy: 618.8828438332222
Energy: 612.2823139322799
Energy: 618.9524801789144
Energy: 619.507322474309
Energy: 616.4012072052933
Energy: 617.7067295356121
Energy: 618.8307451746427
Energy: 614.5182814458054
Energy: 612.5785854636578
Energy: 616.5618507359725
Energy: 615.7394027116115
Energy: 618.798931186242
Energy: 614.8630408778041
Energy: 614.1525509476792
Energy: 617.466596289549
Energy: 618.7918117676845
Energy: 617.8303417052084
Energy: 615.8805890627002
Energy: 615.8177126234035
Energy: 617.3263831070399
Energy: 612.422271533969
Energy: 617.1523852900052
Energy: 615.1727135447053
Energy: 614.9838453126221
Energy: 615.5146244000564
Energy: 616.9779366308138
Energy: 617.2968443612114
Energy: 612.4576471774024
Energy: 618.0457595256388
Energy: 615.2525174190799
Energy: 615.2723626465711
Energy: 614.7757340337611
Energy: 616.5705938788977
Energy: 618.9385372960428
Energy: 613.7548291560389
Energy: 615.6978539697417
Energy: 618.7216279356016
Energy: 616.0732181047165
Energy: 614.8880211938275
Energy: 615.6643597262147
Energy: 619.2384286625586
Energy: 615.1872104041913
Energy: 619.0210493648499
Energy: 613.5854047859428
Energy: 616.0856413117356
Energy: 618.7852085906109
Energy: 618.617345204224
Energy: 619.5563657290829
Energy: 613.5275135134345
Energy: 619.0037173203012
Energy: 616.3410818893747
Energy: 614.4978358657795
Energy: 619.5605069699386
Energy: 615.443063033078
Energy: 617.9369106453414
Energy: 615.8798049034793
Energy: 618.5045639814226
Energy: 613.4699089176162
Energy: 617.8368957370442
Energy: 616.9303301360331
Energy: 612.6533528919297
Energy: 616.7202806165521
Energy: 614.9487760338137
Energy: 618.8067556920972
Energy: 616.8351028760445
Energy: 617.3660672777266
Energy: 617.4260472152563
Energy: 616.53901155381
Energy: 616.4396457768447
Energy: 613.5525856964118
Energy: 616.563049507306
Energy: 616.2946001465742
Energy: 617.4190803994271
Energy: 616.4737494502259
Energy: 615.5172802176279
Energy: 618.2797532401179
Energy: 614.7412730168154
Energy: 617.0613822995363
Energy: 612.7337198694787
Energy: 616.4252992823414
Energy: 619.3113698254285
Energy: 615.068763359395
Energy: 614.6862331555739
Energy: 614.1554073147612
Energy: 614.5098569935082
Energy: 618.9645413046393
Energy: 618.6031682742527
Energy: 617.0726243749187
Energy: 614.4459642540897
Energy: 618.5789327219993
Energy: 613.1735087194926
Energy: 618.9259612841876
Energy: 613.6603088867632
Energy: 616.1567083845832
Energy: 615.8237687466719
Energy: 616.9975178600387
Energy: 614.7656458008877
Energy: 612.4485950767328
Energy: 618.3818565003211
Energy: 616.1395671150915
Energy: 614.2939168242633
Energy: 615.0131047465585
Energy: 613.2386750104599
Energy: 614.1319112107252
Energy: 614.6603845658129
Energy: 618.4489738817807
Energy: 616.1910702562714
Energy: 614.7141837094698
Energy: 615.301504822599
Energy: 616.5432404425936
Energy: 620.4030559947832
Energy: 612.5760445528527
Energy: 618.2983969762043
Energy: 618.3139892531236
Energy: 614.7245354080326
Energy: 616.5564706264811
Energy: 613.4823134655416
Energy: 617.2209645238762
Energy: 614.6750094032589
Energy: 617.3299318794814
Energy: 616.5317687353219
Energy: 619.3912447563231
Energy: 619.1666601680026
Energy: 616.4286271852312
Energy: 614.7027812148691
Energy: 618.6665362600274
Energy: 618.8108434742419
Energy: 612.3115164224067
Energy: 617.8042521783191
Energy: 615.0217682207008
Energy: 613.6518224753971
Energy: 617.9766517375768
Energy: 613.566937940154
Energy: 617.9306575226343
Energy: 616.8594299158867
Energy: 620.5344700917166
Energy: 615.2110941958096
Energy: 613.3900572621279
Energy: 614.8107714704433
Energy: 615.3428661913579
Energy: 619.0771822925549
Energy: 614.8629093944819
Energy: 616.8348156354537
Energy: 616.3050980652265
Energy: 616.925445222339
Energy: 616.8915162388117
Energy: 618.4952543058355
Energy: 615.5772668704749
Energy: 613.5294775856172
Energy: 617.0692898843189
Energy: 618.5353167480076
Energy: 613.7542971603779
Energy: 617.1571283108154
Energy: 612.4401989673178
Energy: 619.0500488209696
Energy: 618.8057522468075
Energy: 616.9870141761825
Energy: 614.7522443552398
Energy: 618.7311496924694
Energy: 617.6467591643003
Energy: 614.3267499005566
Energy: 619.0549894392091
Energy: 614.4540873606161
Energy: 616.060668386674
Energy: 618.0700244850506
Energy: 619.7551178939246
Energy: 619.5148371092997
Energy: 614.5717812701062
Energy: 618.4153991436399
Energy: 613.6180035650491
Energy: 613.6319454100135
Energy: 615.119432115904
Energy: 614.0486062802765
Energy: 619.1210031744802
Energy: 614.8078621246017
Energy: 618.6167540880604
Energy: 617.5467655639919
Energy: 616.3135043870233
Energy: 613.9943303868785
Energy: 616.8015398324576
Energy: 614.7646407352868
Energy: 612.3627003969592
Energy: 618.5935293312889
Energy: 618.3420313650618
Energy: 618.321794839566
Energy: 613.5547425416885
Energy: 615.8581319662353
Energy: 619.5874581253124
Energy: 615.9642253653772
Energy: 617.872976025881
Energy: 618.8687513638579
Energy: 616.100606677039
Energy: 618.9589661210654
Energy: 619.0791618247948
Energy: 614.6769665896477
Energy: 618.0706827526037
Energy: 618.8363326799362
Energy: 612.4008167331579
Energy: 616.9713059549224
Energy: 614.955729505633
Energy: 616.4109714028714
Energy: 614.650171498345
Energy: 613.5679446327498
Energy: 615.8793421991376
Energy: 613.2199904463399
Energy: 619.416921857198
Energy: 620.4007012680978
Energy: 613.2854219340236
Energy: 616.041205943466

minimum gb energy = 612.2823139322799 eV
minimum distance =  2.28270717589787 Angstroms
sigma value = 311


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

Energy: 356.31208737193026
Energy: 358.6449356334155
Energy: 357.415164099616
Energy: 359.73964058625035
Energy: 356.6789305747246
Energy: 356.2329225566593
Energy: 359.00078004261945
Energy: 357.457092268068
Energy: 357.3307604145204
Energy: 358.08000538467655
Energy: 359.25950168432547
Energy: 359.02539178671566
Energy: 358.4643257476149
Energy: 359.4416416219974
Energy: 358.49028832111026
Energy: 359.1813711444104
Energy: 355.25846016875226
Energy: 357.1040145111686
Energy: 359.26935909930694
Energy: 359.24628163084145
Energy: 357.4675908523816
Energy: 355.3086519384375
Energy: 360.69655846010835
Energy: 356.7297678510466
Energy: 357.92539659821944
Energy: 358.037135236547
Energy: 356.45685794491555
Energy: 357.8630861478359
Energy: 358.0862927998875
Energy: 360.5063750928691
Energy: 357.5582859798501
Energy: 355.5530117901574
Energy: 357.8671135215999
Energy: 355.2092322482984
Energy: 360.2871372542921
Energy: 356.0718993158356
Energy: 357.361281097407
Energy: 356.11023527278775
Energy: 359.65503884271726
Energy: 359.08085832326077
Energy: 357.35447438893124
Energy: 359.0053252703767
Energy: 356.16600452552257
Energy: 359.8911563253547
Energy: 355.2937160435956
Energy: 358.54168435047364
Energy: 360.01195836047174
Energy: 356.23648817643084
Energy: 358.40252962913127
Energy: 359.213942729952
Energy: 358.9673689275758
Energy: 359.39842764385486
Energy: 359.1727466123534
Energy: 357.9333401498885
Energy: 359.22544950291064
Energy: 356.08120094081335
Energy: 356.4238867052739
Energy: 357.8311131243157
Energy: 358.23551497374706
Energy: 358.72870605187086
Energy: 358.3012295138536
Energy: 358.5396531597761
Energy: 360.5206646370195
Energy: 356.51918734968405
Energy: 358.0810564661629
Energy: 356.75140163886334
Energy: 359.8264548884054
Energy: 358.6961118819549
Energy: 355.7997375101212
Energy: 358.26340257847977
Energy: 357.5901514373138
Energy: 360.165893739821
Energy: 358.011879726732
Energy: 358.66595811983336
Energy: 356.25027956639343
Energy: 358.15976259794616
Energy: 360.1365545144414
Energy: 355.7037775385925
Energy: 360.26938319431554
Energy: 355.9039087390386
Energy: 359.5960412968756
Energy: 358.6325169498944
Energy: 354.1582901090496
Energy: 361.48019375783923
Energy: 356.0751668113883
Energy: 358.67626930812946
Energy: 356.7467080170705
Energy: 358.80377607688064
Energy: 359.1287848989965
Energy: 356.54576305846484
Energy: 360.1428065700647
Energy: 357.96506085728043
Energy: 357.64126732524556
Energy: 358.20026323471876
Energy: 358.74863387975097
Energy: 357.4675894415531
Energy: 358.59953261750724
Energy: 357.51292808472715
Energy: 357.1925597084027
Energy: 358.7980135937408
Energy: 356.22540637036906
Energy: 359.3924582753736
Energy: 358.41222517440264
Energy: 357.85013227860924
Energy: 358.0530236645588
Energy: 356.51167986199965
Energy: 359.3866529748782
Energy: 355.26491200630267
Energy: 360.76538628444456
Energy: 358.5616026579693
Energy: 359.14042415973427
Energy: 356.4904637094108
Energy: 357.6759678037094
Energy: 360.3733076072699
Energy: 355.9302735303122
Energy: 358.0482301685212
Energy: 356.27258209156435
Energy: 357.8995730975518
Energy: 361.0996301003662
Energy: 357.6034432176677
Energy: 358.81101725856394
Energy: 360.1066495191195
Energy: 359.80501424874444
Energy: 355.448477761477
Energy: 355.2161845095005
Energy: 360.1196261525291
Energy: 356.4492479862372
Energy: 360.3895175590187
Energy: 355.49042456669736
Energy: 357.88855171635544
Energy: 358.961819501151
Energy: 355.4721677057615
Energy: 358.74400736865994
Energy: 358.9649045910072
Energy: 358.8033734975823
Energy: 356.7355399778661
Energy: 357.6465107974508
Energy: 358.3116426948297
Energy: 359.17842396797465
Energy: 359.5785347890202
Energy: 354.8376146384764
Energy: 358.8343276517612
Energy: 357.01733078693076
Energy: 358.3568819588996
Energy: 359.67975223953056
Energy: 355.2326143748912
Energy: 360.39791272968205
Energy: 354.48605402379036
Energy: 359.9138939473005
Energy: 358.2547420423877
Energy: 357.107828256318
Energy: 359.54094020629617
Energy: 359.3038035358731
Energy: 356.98597105708893
Energy: 358.66780735129333
Energy: 361.0758256069186
Energy: 356.9276544313258
Energy: 358.23485927203956
Energy: 356.5959982753149
Energy: 357.1915353620452
Energy: 356.8850559506486
Energy: 355.8232372764176
Energy: 359.01021665823436
Energy: 356.94855903514
Energy: 358.9803085498899
Energy: 359.5421705670725
Energy: 359.0062426450124
Energy: 356.58376936065326
Energy: 356.2190864415964
Energy: 358.42685990741387
Energy: 355.87491814417666
Energy: 357.78431834989823
Energy: 358.6508803604583
Energy: 357.18642882040393
Energy: 360.06363188915367
Energy: 357.71798128150664
Energy: 361.22437521683264
Energy: 357.6979997648322
Energy: 357.99691313145166
Energy: 357.65239840663884
Energy: 358.40420139330666
Energy: 357.32398836825314
Energy: 355.36189587382444
Energy: 360.58882437659946
Energy: 356.6158662989271
Energy: 359.238838268039
Energy: 360.174140865808
Energy: 357.6011818635689
Energy: 360.3837914325766
Energy: 356.3546275341752
Energy: 358.3836331589273
Energy: 354.6967499634589
Energy: 360.0709878981748
Energy: 359.27591205006377
Energy: 358.3222967229746
Energy: 358.1169334009695
Energy: 355.68060034612955
Energy: 358.81071659981126
Energy: 358.7690175347709
Energy: 357.7567184187149
Energy: 358.0439176176052
Energy: 357.428245239663
Energy: 359.6687205214016
Energy: 357.62603843757927
Energy: 360.3670412021471
Energy: 356.2042225757972
Energy: 359.21130167753006
Energy: 358.8862363289753
Energy: 355.0663471817422
Energy: 358.41040347013075
Energy: 357.23292483134765
Energy: 359.8024044559585
Energy: 356.8529425728497
Energy: 358.7927138203785
Energy: 358.9294758973602
Energy: 359.09649157795656
Energy: 359.6502577112638
Energy: 359.2336378011769
Energy: 360.7065482315404
Energy: 358.88286713377994
Energy: 358.3231127314582
Energy: 359.2791887217768
Energy: 356.8220628033167
Energy: 358.776158631919
Energy: 356.67500179031884
Energy: 360.5220885218038
Energy: 357.9030223243322
Energy: 360.2418952737019
Energy: 360.9564362109471
Energy: 357.65244293020487
Energy: 359.974529951017
Energy: 355.71055310588224
Energy: 358.9788125900328
Energy: 354.36139229575804
Energy: 358.31036420114697
Energy: 357.35060936433206
Energy: 355.88632886478365
Energy: 360.23160471175373
Energy: 358.19096631105407
Energy: 360.46828085919753
Energy: 357.92484084027564
Energy: 358.16315076486416
Energy: 358.3541442532458
Energy: 358.89679432840586
Energy: 360.15002352649844
Energy: 354.4805784954234
Energy: 360.57047903642354
Energy: 356.2151205493931
Energy: 359.38752320022553
Energy: 358.6134790407057
Energy: 355.70744645787306
Energy: 358.57860777194287

minimum gb energy = 354.1582901090496 eV
minimum distance =  2.28501786214006 Angstroms
sigma value = 39


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

Energy: 450.5201783470325
Energy: 453.01321698044745
Energy: 452.67951888365934
Energy: 452.8296301201439
Energy: 450.5350425870322
Energy: 450.19706356344193
Energy: 452.81507571721465
Energy: 455.3745840364736
Energy: 455.60393346391106
Energy: 450.2993944752396
Energy: 453.50536335241316
Energy: 456.4424839926774
Energy: 455.20526768307485
Energy: 455.845405762152
Energy: 456.15493389799843
Energy: 454.25614656880987
Energy: 452.30615066715137
Energy: 452.812180586418
Energy: 455.00482888883744
Energy: 455.4905880287777
Energy: 451.5910049113635
Energy: 448.97036592004747
Energy: 455.47138112034634
Energy: 456.5123489648361
Energy: 455.6107284772404
Energy: 452.0206483484579
Energy: 451.97873858136194
Energy: 456.0013875248188
Energy: 454.7158223455361
Energy: 454.0570804827682
Energy: 452.9303813569705
Energy: 450.55987267769524
Energy: 450.3113823744189
Energy: 452.15840998876484
Energy: 455.4374109595523
Energy: 450.6487631499604
Energy: 456.2439672632425
Energy: 451.1804452440084
Energy: 457.11678618117764
Energy: 455.74670215086127
Energy: 456.8949020281136
Energy: 456.37341059373136
Energy: 450.3084466896694
Energy: 456.51960158139326
Energy: 451.78538902999304
Energy: 452.51962263100194
Energy: 450.429074326331
Energy: 450.18222725647723
Energy: 455.23852304772004
Energy: 450.53529465861203
Energy: 454.88645808141973
Energy: 450.1774837493419
Energy: 453.4885873893809
Energy: 453.75974425089913
Energy: 452.83427566020475
Energy: 451.6139787259019
Energy: 450.45913784270954
Energy: 456.409187290244
Energy: 452.94934014723987
Energy: 456.7751501928264
Energy: 452.9598708162056
Energy: 453.49667487295613
Energy: 455.3105915458273
Energy: 449.7057529423997
Energy: 452.5749518540838
Energy: 452.09601275754693
Energy: 451.8641215516653
Energy: 452.22285050666346
Energy: 451.96662458794987
Energy: 453.8806755619751
Energy: 448.83705527576836
Energy: 455.85364079578954
Energy: 454.28018192629656
Energy: 454.29133399637766
Energy: 452.936105333189
Energy: 452.8573130212297
Energy: 456.58053805332537
Energy: 455.15994446713637
Energy: 452.1350446251606
Energy: 453.3378053641527
Energy: 456.15005039534185
Energy: 453.61571868115203
Energy: 451.21746261360846
Energy: 454.17945106355046
Energy: 451.23207907065046
Energy: 453.9908965894617
Energy: 453.470711229281
Energy: 452.77945269386544
Energy: 454.19384510847067
Energy: 453.74553155709157
Energy: 455.5473549784663
Energy: 449.48507585732847
Energy: 455.90008816281573
Energy: 451.97006426458626
Energy: 450.10221604296316
Energy: 453.23726266242124
Energy: 450.3213204252284
Energy: 456.5872946414073
Energy: 452.8111191636715
Energy: 456.04621957003087
Energy: 454.0956182518928
Energy: 453.97398371560655
Energy: 452.582815318317
Energy: 450.4977740248567
Energy: 455.09434483581083
Energy: 450.48251117530964
Energy: 457.00686498211223
Energy: 451.96036799959575
Energy: 452.5818153236083
Energy: 453.88975931167187
Energy: 450.5775185395436
Energy: 450.80015968878473
Energy: 456.56259192797836
Energy: 457.02833992028275
Energy: 453.54677721992977
Energy: 453.4602901713625
Energy: 456.31740819640765
Energy: 455.30303716365086
Energy: 455.2158046114731
Energy: 454.6206893016779
Energy: 455.02620789735
Energy: 452.40085510678347
Energy: 452.90951356845153
Energy: 454.5157431497571
Energy: 452.9695821524212
Energy: 456.62963187922935
Energy: 448.8432360204027
Energy: 454.3447373305691
Energy: 456.11515161927923
Energy: 455.905219734555
Energy: 451.0005875363447
Energy: 451.93242848534607
Energy: 454.67686035163086
Energy: 454.3440034564286
Energy: 456.0747719876085
Energy: 450.6888786981876
Energy: 451.7817129142777
Energy: 452.43491640489515
Energy: 452.36303888905024
Energy: 456.3970992873054
Energy: 452.56298740311945
Energy: 456.4074684609168
Energy: 453.5487313592575
Energy: 456.55186891794176
Energy: 456.4911747682201
Energy: 450.3301143196691
Energy: 456.4419171855797
Energy: 449.4528793103754
Energy: 454.35870503588353
Energy: 451.2462533047967
Energy: 450.14856539426023
Energy: 450.39931640418223
Energy: 450.9051394828286
Energy: 457.4894568842435
Energy: 450.4685552399843
Energy: 456.23984274058824
Energy: 454.29097864411176
Energy: 457.3497113591681
Energy: 453.65494064522653
Energy: 453.0875221737169
Energy: 455.90834050294166
Energy: 450.4293626055288
Energy: 455.98142365917795
Energy: 451.49353193775664
Energy: 455.95331185010286
Energy: 456.74343444718204
Energy: 452.6489453828238
Energy: 455.4259855818685
Energy: 450.66921859611267
Energy: 456.8258907331815
Energy: 451.8866979720638
Energy: 450.1417287196813
Energy: 452.8970568970291
Energy: 451.9197920154909
Energy: 451.7400600663258
Energy: 449.76208829340817
Energy: 454.1842369192029
Energy: 454.6356622877068
Energy: 455.7264954739186
Energy: 454.13148753763625
Energy: 452.96185129676036
Energy: 456.04603046645764
Energy: 455.59510183488976
Energy: 455.28564479203527
Energy: 456.27010294163154
Energy: 455.45788230148645
Energy: 452.7449922513348
Energy: 450.05341949634914
Energy: 452.455693123572
Energy: 450.61454019492703
Energy: 456.0062956741226
Energy: 450.79364734565803
Energy: 450.10947105726257
Energy: 453.10643122282016
Energy: 452.7450924889623
Energy: 451.7779142581083
Energy: 450.26833574915344
Energy: 455.4469726176088
Energy: 452.4538769311853
Energy: 453.21701994509164
Energy: 451.9789978738535
Energy: 451.58523779615626
Energy: 455.98725786343664
Energy: 452.22705156327004
Energy: 456.1416580483022
Energy: 453.6181099418268
Energy: 455.34262251377436
Energy: 452.2959002462224
Energy: 452.5723673478544
Energy: 456.63533569308754

minimum gb energy = 448.83705527576836 eV
minimum distance =  2.25338522429185 Angstroms
sigma value = 21


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

Energy: 372.49895024088613
Energy: 374.5096903728426
Energy: 372.7312406491818
Energy: 372.64838705966105
Energy: 371.8661450397097
Energy: 370.2472450173876
Energy: 372.5465644873375
Energy: 370.959909339119
Energy: 374.35600348783566
Energy: 370.8871319479929
Energy: 370.8164530978012
Energy: 376.0491324835961
Energy: 376.3251987505234
Energy: 376.511179293346
Energy: 372.44780056916386
Energy: 376.2546173950865
Energy: 370.96414337095365
Energy: 373.633429839007
Energy: 372.20500980943393
Energy: 372.45730994884474
Energy: 375.65139861324826
Energy: 372.7605650116292
Energy: 375.51315981062874
Energy: 373.81759446818256
Energy: 375.8294005670102
Energy: 373.4627766227566
Energy: 371.87866527543474
Energy: 375.1585071131378
Energy: 375.40064410683374
Energy: 375.3158749655737
Energy: 376.0605603665636
Energy: 375.09531296036374
Energy: 376.0147022471437
Energy: 373.70856705415673
Energy: 374.7077761975839
Energy: 373.06495644468356
Energy: 375.77060895237173
Energy: 373.99201856505374
Energy: 375.9755041541553
Energy: 375.37657109331144
Energy: 375.8705876646249
Energy: 373.9409347102188
Energy: 375.294397840821
Energy: 376.75852697029205
Energy: 371.7825115820407
Energy: 374.69528653216145
Energy: 373.6733222615853
Energy: 371.1586692243621
Energy: 375.8377344129488
Energy: 371.08325968189445
Energy: 371.95347840652414
Energy: 373.5882278124499
Energy: 374.2590293833499
Energy: 376.0667268350252
Energy: 375.9202990791077
Energy: 375.8752552704611
Energy: 370.15103945071115
Energy: 375.89329749866255
Energy: 375.25953999236714
Energy: 374.56341250783464
Energy: 376.70433140482805
Energy: 376.05795499696745
Energy: 374.639938312275
Energy: 376.0923253527925
Energy: 375.94004001597597
Energy: 370.2099236481302
Energy: 374.481321308244
Energy: 372.40702446153364
Energy: 371.31678205981143
Energy: 375.7633487270252
Energy: 372.2753046143745
Energy: 374.9749233506263
Energy: 373.3492435447151
Energy: 376.69005638010015
Energy: 371.76143943929304
Energy: 374.17361014209786
Energy: 375.83589591950687
Energy: 371.8185409721968
Energy: 376.07167130834137
Energy: 374.72411651541165
Energy: 373.904379101823
Energy: 373.9496171831076
Energy: 373.5133991406176
Energy: 376.5758202401055
Energy: 371.4480609474372
Energy: 375.58446624056484
Energy: 370.229903530786
Energy: 374.23393781116937
Energy: 373.64994709060136
Energy: 370.325845039007
Energy: 371.75531553883206
Energy: 373.8906685783445
Energy: 374.7991274209779
Energy: 374.3626624061116
Energy: 375.54227435278915
Energy: 372.10350388503235
Energy: 374.1523302380186
Energy: 375.88067052349606
Energy: 371.5341460824835
Energy: 374.70142267780295
Energy: 371.68196554117225
Energy: 374.21288483175834
Energy: 374.40619370627815
Energy: 375.793651987488
Energy: 375.9310761198442
Energy: 376.52406147121616
Energy: 375.8105786510857
Energy: 373.9332302698397
Energy: 376.0949513489945
Energy: 373.9118579045323
Energy: 373.96739751066
Energy: 372.31966596445426
Energy: 374.6379978300685
Energy: 376.0289232520412
Energy: 372.7492537621723
Energy: 375.482238761128
Energy: 371.13055007802615
Energy: 372.39099701376153
Energy: 376.00730685526855
Energy: 373.1803913399573
Energy: 375.7086264904729
Energy: 375.7526825551812
Energy: 375.8954956810648
Energy: 375.8733637337816
Energy: 374.9543628061038
Energy: 375.0980597714404
Energy: 372.6261369130583
Energy: 374.8590112185127
Energy: 371.8040999208738
Energy: 375.6424825025378
Energy: 373.26781545917396
Energy: 373.2792186715752
Energy: 375.2044504074353
Energy: 371.9003971684138
Energy: 374.31287029273165
Energy: 373.4767919873627
Energy: 374.2566206199602
Energy: 375.19167444821744
Energy: 375.5678342119497
Energy: 374.76605954833735
Energy: 371.77170721095365
Energy: 373.72589685264745
Energy: 373.41853285612336
Energy: 375.78398410374393
Energy: 376.313860483297
Energy: 376.4227662340905
Energy: 374.38815911112835
Energy: 375.80890237912524
Energy: 375.65855642109454
Energy: 370.75732076553265
Energy: 371.4361487464934
Energy: 372.2486212890281
Energy: 372.3216717018305
Energy: 376.03728248392343
Energy: 373.9118346652969
Energy: 375.75020088741843
Energy: 373.4169817525647
Energy: 374.0045656057009
Energy: 374.1111817255372
Energy: 373.99455513728685
Energy: 375.6510790357312
Energy: 372.5086615770073
Energy: 375.3377718241981
Energy: 372.37808602972666
Energy: 374.8673680835439
Energy: 373.1327763600987
Energy: 373.89008654069596
Energy: 376.39658506340186
Energy: 373.77977475831347
Energy: 374.84380590585147
Energy: 374.29001148848766
Energy: 376.2902865485198
Energy: 372.6570448088282
Energy: 373.52609874439366
Energy: 376.41486012695236

minimum gb energy = 370.15103945071115 eV
minimum distance =  2.23103896743267 Angstroms
sigma value = 113


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

Energy: 664.0696764192915
Energy: 668.2614130809425
Energy: 663.6699865673816
Energy: 666.4622659952812
Energy: 667.0119241596137
Energy: 664.2239681402269
Energy: 668.1519540034415
Energy: 666.7069140939026
Energy: 667.4880423047576
Energy: 664.5805112516514
Energy: 668.0695715849207
Energy: 666.7444544199442
Energy: 667.8761433168143
Energy: 667.6023819351446
Energy: 665.8416053636012
Energy: 665.8207670899596
Energy: 663.9468493783187
Energy: 666.1299236119097
Energy: 667.3747810458221
Energy: 666.4223931662298
Energy: 668.4930282629164
Energy: 665.9016134888411
Energy: 669.1433226863537
Energy: 664.2655101974628
Energy: 667.5028235628903
Energy: 664.2069227530602
Energy: 663.9680421051671
Energy: 669.5579256340304
Energy: 664.9172704299103
Energy: 668.8663763149772
Energy: 664.7021499322483
Energy: 666.5951876166822
Energy: 667.2132471615269
Energy: 666.6294449833863
Energy: 668.2221000462904
Energy: 665.2404670080965
Energy: 665.2328714324556
Energy: 666.5011875105002
Energy: 666.4499247788023
Energy: 665.9208320232789
Energy: 665.1429480595451
Energy: 667.0211343519967
Energy: 666.9925453396958
Energy: 668.7851951623172
Energy: 666.7027192843922
Energy: 667.4899216619717
Energy: 668.0849012470305
Energy: 668.1020198071784
Energy: 668.9399265092693
Energy: 666.9090705081651
Energy: 665.6135224741782
Energy: 667.7669042702279
Energy: 664.7370047224808
Energy: 666.9280754662605
Energy: 668.5855702315134
Energy: 667.5770390339392
Energy: 664.1852853183864
Energy: 668.4533067767262
Energy: 667.4416125901646
Energy: 667.0163049964501
Energy: 665.1809874130026
Energy: 666.2306592907944
Energy: 668.0706124640377
Energy: 665.6121391165422
Energy: 668.8160353866626
Energy: 667.3590518790093
Energy: 668.9985170599386
Energy: 665.5895092754997
Energy: 667.7196467948152
Energy: 667.4751478203995
Energy: 666.5986038596467
Energy: 667.2939733200983
Energy: 664.8411319075468
Energy: 668.1703006228418
Energy: 668.6188549840301
Energy: 667.199830546236
Energy: 668.0149036052247
Energy: 666.6513480623474
Energy: 668.246131384776
Energy: 665.8066925165377
Energy: 668.0536593033315
Energy: 668.4807589906222
Energy: 666.410570932595
Energy: 667.0476629929922
Energy: 665.3245943719088
Energy: 667.2951660467077
Energy: 665.1526355088434
Energy: 668.6719218185794
Energy: 668.0580451479345
Energy: 666.1320709554637
Energy: 667.0435085158666
Energy: 663.9770075859994
Energy: 668.263308203578
Energy: 665.4897562439569
Energy: 668.6337591124213
Energy: 666.9457623829182
Energy: 665.6251970894332
Energy: 668.6755696771513
Energy: 665.9446858787524
Energy: 664.7311475884599
Energy: 666.290263196021
Energy: 667.4116924750364
Energy: 663.9872900632163
Energy: 665.5923624374859
Energy: 666.6300724013892
Energy: 665.398841329379
Energy: 667.1548609699906
Energy: 666.7424764557929
Energy: 667.0147848438478
Energy: 667.818233405913
Energy: 664.3431337848111
Energy: 667.6335124049384
Energy: 667.0250823721104
Energy: 667.8645978886922
Energy: 666.7988164464549
Energy: 666.0230474493341
Energy: 667.5181252184035
Energy: 666.1682621906049
Energy: 665.5339996569694
Energy: 664.5172601835375
Energy: 665.713783106564
Energy: 664.5025617178208
Energy: 665.7859998490093
Energy: 664.4891436107812
Energy: 666.2591953142586
Energy: 667.5690249132111
Energy: 666.8386807109667
Energy: 666.9853772152352
Energy: 664.9540579265686
Energy: 668.936846702689
Energy: 669.1408959960545
Energy: 667.9535350936125
Energy: 669.0526639544437
Energy: 665.4537705048025
Energy: 668.3665310656647
Energy: 664.4491503245714
Energy: 664.6116838265734
Energy: 667.1131135454157
Energy: 663.5508942790002
Energy: 669.4118256541057
Energy: 666.8249843722406
Energy: 666.5214278566903
Energy: 663.9904514325796
Energy: 665.4395149128889
Energy: 665.2004988394817
Energy: 663.9935551973178
Energy: 668.14154829277
Energy: 665.9512873066966
Energy: 668.682026067772
Energy: 665.5240331211763
Energy: 667.8687147927092
Energy: 664.543856526083
Energy: 665.0412919868214
Energy: 667.1717643153415
Energy: 664.0334636676722
Energy: 669.3755532353514
Energy: 663.6787745054318
Energy: 664.9833322108041
Energy: 666.4360517588361
Energy: 665.0120188555615
Energy: 665.7954027134065
Energy: 664.2079930127817
Energy: 668.6557695337114
Energy: 664.6799700603362
Energy: 665.691783423157
Energy: 669.0067132278944
Energy: 667.3968803964929
Energy: 669.3591210841785
Energy: 664.4687076616572
Energy: 667.9873970476922
Energy: 664.0238249306609
Energy: 666.024370541114
Energy: 666.6456045584755
Energy: 665.3355156109644
Energy: 665.6966709353183
Energy: 665.9069348968744
Energy: 668.3744905783515
Energy: 665.3164230941987
Energy: 667.8241521953801
Energy: 664.5997714375644
Energy: 664.0103470159404
Energy: 669.0368658996504
Energy: 664.1101914870691
Energy: 666.1341315736397
Energy: 667.41894474929
Energy: 668.391206952953
Energy: 664.9787347534977
Energy: 664.9564873299389
Energy: 668.1401284154406
Energy: 664.9504875769467
Energy: 668.9952372547448
Energy: 665.6567350633541
Energy: 667.6724731597898
Energy: 666.0125245681113
Energy: 666.5299169465578
Energy: 667.8041247902987
Energy: 665.7849397559779
Energy: 668.8641789164661
Energy: 667.951063739716
Energy: 668.3815316960699
Energy: 668.3465855972975
Energy: 668.463273329835
Energy: 665.5737647941189
Energy: 664.8569702659307
Energy: 667.7868835802137
Energy: 664.1479451677508
Energy: 667.629477327723
Energy: 668.6706741125571
Energy: 664.5093776226629
Energy: 668.3666322478952
Energy: 665.8251758865525
Energy: 666.8359283718185
Energy: 667.3051573934414
Energy: 666.7965088323186
Energy: 664.2090228652297
Energy: 664.3281619127855
Energy: 665.9256321561891
Energy: 668.4765364228838
Energy: 666.4979742587087
Energy: 667.7128924648849
Energy: 667.9328899766434
Energy: 668.5326356669277
Energy: 666.1347174034881
Energy: 666.2668514779823
Energy: 664.6357228873057
Energy: 668.7699036234021
Energy: 666.3029469950094
Energy: 665.0508167504181
Energy: 668.2013430832416
Energy: 667.6989962271218
Energy: 668.5379711285931
Energy: 666.8089784619904
Energy: 664.9905862861772
Energy: 665.0230132622972
Energy: 667.9432928815492
Energy: 665.116111584319
Energy: 664.5382355209795
Energy: 668.6561496704095
Energy: 666.9872488179725
Energy: 666.9913043627178
Energy: 666.4873200219724
Energy: 668.9183203274132
Energy: 665.0936309655796
Energy: 668.7079218893261
Energy: 668.0972530778331
Energy: 666.5445706073052
Energy: 668.9097028392553
Energy: 668.6395274298148
Energy: 668.6278441191187
Energy: 668.0922185380712
Energy: 667.9983827932783
Energy: 665.9959854771993
Energy: 665.8318131673426
Energy: 668.9023142540528
Energy: 665.3000144226307
Energy: 667.5282553367434
Energy: 664.1414942208694
Energy: 664.9112091315786
Energy: 667.8479257095307
Energy: 664.9905846765245
Energy: 667.9965754653906
Energy: 666.2219947749632
Energy: 665.719782306078
Energy: 666.2069752490731
Energy: 667.5241749646683
Energy: 667.0445941111776
Energy: 664.1121780393571
Energy: 668.8617810722936
Energy: 665.8363090329015
Energy: 667.884467834835
Energy: 667.6120238678036
Energy: 664.377002319309
Energy: 667.1055051010768
Energy: 663.3402584995006
Energy: 667.0500938767508
Energy: 664.4178196262498
Energy: 666.6974863856692
Energy: 667.7656521312869
Energy: 666.0327163252193
Energy: 668.4848606441803
Energy: 666.4910094233669
Energy: 667.1353863098899
Energy: 666.5446649576878
Energy: 668.4723049129367
Energy: 666.9346915640774
Energy: 667.8982037826058
Energy: 668.4458306401692
Energy: 666.0475645934561
Energy: 666.8951318686144
Energy: 665.5014169234967
Energy: 666.2583383593812
Energy: 663.9435185791294
Energy: 663.5373342968551
Energy: 665.2945406137745
Energy: 666.7135555324195
Energy: 666.8626334109905
Energy: 665.0122249132514
Energy: 667.2803675410361
Energy: 666.0942999516427
Energy: 665.4559720884994
Energy: 665.2297818568895
Energy: 666.5987034591317
Energy: 669.1624146806389
Energy: 665.1160957906684
Energy: 667.0741365725606
Energy: 665.496828626302
Energy: 664.7314796629606
Energy: 668.573311739228
Energy: 664.0287845129028
Energy: 668.8117162165868
Energy: 664.8425928521222
Energy: 666.58936892663
Energy: 665.9628389509278
Energy: 665.7473453472744
Energy: 667.0813663175045

minimum gb energy = 663.3402584995006 eV
minimum distance =  2.20811807503547 Angstroms
sigma value = 365


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

Energy: 405.92900760734017
Energy: 411.1269195371952
Energy: 405.35426869291166
Energy: 405.9760146082723
Energy: 403.3628561651793
Energy: 402.3745875683395
Energy: 400.16088390741544
Energy: 404.76615701336283
Energy: 411.5227125733151
Energy: 403.6356705882932
Energy: 405.55223330128223
Energy: 405.4428569401617
Energy: 405.42497963675123
Energy: 410.40952241805513
Energy: 400.7282494856626
Energy: 407.7870011774024
Energy: 404.888991459229
Energy: 404.0201959921432
Energy: 405.62061656178804
Energy: 405.58603890910183
Energy: 405.2989425713575
Energy: 405.3528211783014
Energy: 410.6260365364617
Energy: 405.02570353754857
Energy: 406.35108970715953
Energy: 405.26704657642483
Energy: 403.1777443406493
Energy: 402.64298758406005
Energy: 400.6963195905238
Energy: 409.5895828460443
Energy: 397.05188882892065
Energy: 410.75377244538305
Energy: 403.33518303101164
Energy: 396.0498410535665
Energy: 410.0884138378251
Energy: 398.53971411389057
Energy: 408.27381032003376
Energy: 403.7419301376437
Energy: 404.78903566401004
Energy: 406.0522916111925
Energy: 406.0077995013805
Energy: 406.0731538863671
Energy: 401.4077690706156
Energy: 410.0811934728051
Energy: 404.77443236902803
Energy: 405.5899335319407
Energy: 404.32914517789135
Energy: 405.7094771967714
Energy: 410.6571917367539
Energy: 406.09314868532243
Energy: 409.6812236456952
Energy: 404.8638199316228
Energy: 404.4084934556181
Energy: 404.3846071360931
Energy: 404.28849958634186
Energy: 410.6174580775551
Energy: 403.871245071157
Energy: 410.32439795869226
Energy: 401.63426460760974
Energy: 405.58447204201207
Energy: 402.330620283471
Energy: 405.9704525332026
Energy: 405.97397737253823
Energy: 399.68945412453724
Energy: 410.67849272194974
Energy: 396.191590064009
Energy: 410.75122411597874
Energy: 411.7743811072395
Energy: 396.1878558410572
Energy: 407.65778434939665
Energy: 403.6299301650237
Energy: 411.46754071042307
Energy: 404.70181646361647
Energy: 401.17352972562884
Energy: 403.74251222910027
Energy: 405.9745339270127
Energy: 406.02248865921916
Energy: 400.6668255201805
Energy: 409.53120648574605
Energy: 405.3624188466885
Energy: 403.8966228117353
Energy: 400.74882142393614
Energy: 405.6485312412551
Energy: 411.7742753926425
Energy: 402.8892296106644
Energy: 411.3903203603402
Energy: 403.08217244928176
Energy: 405.23549884087515
Energy: 403.16332847039143
Energy: 405.57535894919965
Energy: 411.2564451815774
Energy: 401.92357437807993
Energy: 408.39532456435523
Energy: 406.01151180592984
Energy: 406.025755745542
Energy: 406.04638884379193
Energy: 405.71710848519575
Energy: 399.28954622332526
Energy: 400.63219073174776
Energy: 410.9043690008122
Energy: 396.09658202515243
Energy: 403.61614624781953
Energy: 405.1169430114478
Energy: 405.0086362235085
Energy: 411.3873074764967
Energy: 400.70705195748405
Energy: 411.0759519451569
Energy: 405.09299274073885
Energy: 405.4256298256125
Energy: 405.141442683862
Energy: 405.3578162348192
Energy: 404.14936739566014
Energy: 404.1353248107921
Energy: 412.3596260256322
Energy: 403.2822279722566
Energy: 403.82706707538836
Energy: 403.35161691029083
Energy: 405.9637881501913
Energy: 404.76369268655014
Energy: 399.89020464709404
Energy: 410.9856730483785
Energy: 404.7327114366643
Energy: 405.7086374882748
Energy: 403.53605143139663
Energy: 404.58815923230634
Energy: 410.40105132064815
Energy: 405.2047937585121
Energy: 411.9794196033461
Energy: 404.86923022618913
Energy: 401.6080222224554
Energy: 406.1222112134352
Energy: 404.79226522548754
Energy: 401.0435729689644
Energy: 405.2610614478678
Energy: 409.2287986186861
Energy: 405.30287816478824
Energy: 406.19645196885705
Energy: 402.94671658061344
Energy: 405.6871069681979
Energy: 411.1516121585548

minimum gb energy = 396.0498410535665 eV
minimum distance =  2.31290387832789 Angstroms
sigma value = 23