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
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 425.3026268756908
Energy: 411.9819066600821
Energy: 431.1572867292799
Energy: 411.98004465224875
Energy: 425.3026268756911
Energy: 411.98190666008225
Energy: 431.00748559016415
Energy: 426.8693683488458
Energy: 425.7645630584995
Energy: 414.14138766952675
Energy: 425.8403570590018
Energy: 426.8693683488473
Energy: 425.7645630585002
Energy: 414.14138766952817
Energy: 425.3026268756908
Energy: 411.98190666008225
Energy: 431.1572867292799
Energy: 411.98004465224903
Energy: 425.30262687569035
Energy: 411.9819066600821
Energy: 431.00748559016415
Energy: 426.8693683488458
Energy: 425.7645630584995
Energy: 414.14138766952624
Energy: 425.8403570590016
Energy: 426.86936834884756
Energy: 425.7645630585002
Energy: 414.14138766952817
Energy: 425.3026268756908
Energy: 411.98190666008225
Energy: 431.00748559016364
Energy: 411.98004465224903
Energy: 425.3026268756908
Energy: 411.9819066600826
Energy: 431.00748559016415
Energy: 426.8693683488458
Energy: 425.7645630584993
Energy: 414.141387669527
Energy: 425.8403570590014
Energy: 426.86936834884756
Energy: 425.7645630585
Energy: 414.141387669528

minimum gb energy = 411.98004465224875 eV
minimum distance =  2.48296668816868 Angstroms
sigma value = 5


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

Energy: 687.2556390722026
Energy: 688.1087837354142
Energy: 690.8095948916315
Energy: 688.1234898714315
Energy: 687.2556390721994
Energy: 688.1087837354112
Energy: 690.3574672383721
Energy: 689.118853995331
Energy: 688.7070637422723
Energy: 688.9753449497325
Energy: 687.4158543674874
Energy: 689.1188539953221
Energy: 688.7070637422723
Energy: 688.9753449497294
Energy: 688.5519828375118
Energy: 689.2465480110684
Energy: 688.1343161910773
Energy: 689.9213355001465
Energy: 688.5519828375056
Energy: 689.2465480110775
Energy: 688.1343161910743
Energy: 687.2821992637937
Energy: 688.1558284869686
Energy: 690.0131903933465
Energy: 688.0238052264655
Energy: 687.2821992637967
Energy: 688.1558284869717
Energy: 690.0131903933498
Energy: 686.6638561737136
Energy: 689.8017402531535
Energy: 689.2215886903343
Energy: 690.1018293569664
Energy: 686.6638561737136
Energy: 689.8017402531566
Energy: 688.9397957020079
Energy: 687.8353960608861
Energy: 688.8328166775865
Energy: 689.7477769615961
Energy: 689.3080246708389
Energy: 687.8353960608893
Energy: 688.8328166775865
Energy: 689.7477769615932
Energy: 688.4330599087098
Energy: 688.0051131028396
Energy: 687.4372759014183
Energy: 688.0955849113384
Energy: 688.4330599087098
Energy: 688.0051131028366
Energy: 687.4372759014213
Energy: 688.4840890430257
Energy: 689.3203277758655
Energy: 688.776829132419
Energy: 689.2633568198888
Energy: 688.4840890430379
Energy: 689.3203277758687
Energy: 688.776829132416
Energy: 689.7699512662666
Energy: 687.9511021991784
Energy: 688.4160390334591
Energy: 688.6351309289389
Energy: 689.7699512662728
Energy: 687.9511021991752
Energy: 688.4160390334591
Energy: 687.2311396500202
Energy: 689.4242264256412
Energy: 687.5392692461179
Energy: 689.1614862944012
Energy: 687.2311396500232
Energy: 689.4242264256412
Energy: 687.5392692461179
Energy: 689.1301746805834
Energy: 688.635547513088
Energy: 689.771175371867
Energy: 688.5736186408492
Energy: 689.1301746805773
Energy: 688.635547513079
Energy: 689.771175371864
Energy: 687.316748176847
Energy: 690.0448814576225
Energy: 688.8338728972155
Energy: 689.1894929962382
Energy: 687.316748176847
Energy: 690.0448814576225
Energy: 688.8338728972216
Energy: 688.537919442658
Energy: 686.8172991188776
Energy: 690.664012852703
Energy: 688.0736451848124
Energy: 688.5379194426549
Energy: 686.817299118893
Energy: 690.664012852706
Energy: 689.1813674633979
Energy: 689.9377814038137
Energy: 687.046193390453
Energy: 689.1786563531408
Energy: 689.1813674634071
Energy: 689.9377814038229
Energy: 687.0461933904468
Energy: 690.411487755989
Energy: 687.4110606033919
Energy: 688.6452779023776
Energy: 688.110477502407
Energy: 690.4114877559861
Energy: 687.4110606034042
Energy: 688.6452779023624
Energy: 687.9434054700251
Energy: 687.3205356806977
Energy: 688.05772664081
Energy: 688.1148149028122
Energy: 687.9434054700251
Energy: 687.3205356806947
Energy: 688.05772664081
Energy: 689.7063633492602
Energy: 688.6487191962088
Energy: 689.7824161111761
Energy: 687.4008768135601
Energy: 689.7063633492543
Energy: 688.6487191962088
Energy: 689.7824161111699
Energy: 688.5357294550062
Energy: 689.8293518695838
Energy: 687.3925973424147
Energy: 689.9287539435348
Energy: 688.535729455003
Energy: 689.82935186959
Energy: 687.3925973424116
Energy: 688.5696272038107
Energy: 688.5873860078661
Energy: 688.8298354425671
Energy: 687.9926481371799
Energy: 688.5696272038047
Energy: 688.587386007869
Energy: 688.8298354425732
Energy: 687.2416928439513
Energy: 689.8377151211315
Energy: 688.8583089499864
Energy: 690.0552473624122
Energy: 687.2416928439545
Energy: 689.8377151211347
Energy: 688.8583089499803
Energy: 688.4868558016739
Energy: 688.7029328118159
Energy: 688.2148611126869
Energy: 688.5484584527233
Energy: 688.4868558016739
Energy: 688.702932811813
Energy: 688.21486111269
Energy: 688.416647303819
Energy: 688.702550251341
Energy: 688.8692717957217
Energy: 688.5920548602851
Energy: 688.4166473038158
Energy: 688.7025502513319
Energy: 688.8692717957185
Energy: 687.7824575286589
Energy: 689.3367159653391
Energy: 687.6088087842372
Energy: 689.2798202876218
Energy: 687.7824575286559
Energy: 689.336715965336
Energy: 687.6088087842372
Energy: 689.1027620724211
Energy: 687.4207422725871
Energy: 689.6883081504177
Energy: 688.0959964927364
Energy: 689.1027620724242
Energy: 687.4207422725779
Energy: 689.6883081504236
Energy: 687.2017933513878
Energy: 689.4018973797089
Energy: 688.5635283412117
Energy: 688.551587580691
Energy: 687.2017933513878
Energy: 689.4018973797058
Energy: 688.2794312770291
Energy: 688.4487163813806
Energy: 688.7209429027887
Energy: 688.9793753385483
Energy: 688.1278352233461
Energy: 688.4487163813806
Energy: 688.7209429027919
Energy: 688.9793753385513
Energy: 686.6087041945406
Energy: 689.9302873032735
Energy: 689.4777424953
Energy: 689.9509892153502
Energy: 686.6087041945406
Energy: 689.9302873032705
Energy: 689.0291474011254
Energy: 687.2266860491561
Energy: 687.4506478494197
Energy: 690.7385281757703
Energy: 687.5011047562928
Energy: 687.2266860491561
Energy: 687.4506478494166
Energy: 690.7385281757765
Energy: 688.5580922414003
Energy: 689.2776040934641
Energy: 689.1454302324145
Energy: 689.9896902513768
Energy: 688.5580922413942
Energy: 689.2776040934641
Energy: 688.7931301137565
Energy: 689.1423913331366
Energy: 688.0529541873501
Energy: 688.7209959421647
Energy: 688.7007855498912
Energy: 689.1423913331366
Energy: 688.0529541873561
Energy: 688.7209959421647
Energy: 687.2194253320279
Energy: 687.8773980310852
Energy: 688.3085761210407
Energy: 688.9816095694052
Energy: 687.2194253320368
Energy: 687.8773980310791
Energy: 688.3085761210501
Energy: 688.4380424058926
Energy: 688.6894951571363
Energy: 689.0256526271585
Energy: 688.6642066707071
Energy: 688.4380424058955
Energy: 688.6894951571426
Energy: 689.0256526271614
Energy: 687.2395622760292
Energy: 688.6686195472913
Energy: 687.5296915228528
Energy: 689.2595337377852
Energy: 687.2395622760292
Energy: 688.6686195472881
Energy: 687.5296915228556
Energy: 687.1677705396013
Energy: 689.0770558886528
Energy: 688.7734065086112
Energy: 689.2618094214436
Energy: 687.1677705396074
Energy: 689.0770558886528
Energy: 688.7734065086112
Energy: 688.4847191356774
Energy: 689.2452666945458
Energy: 688.1899377425044
Energy: 689.3480670393805
Energy: 688.4847191356895
Energy: 689.245266694555
Energy: 688.1899377425075
Energy: 687.2773329855238
Energy: 689.5429587988818
Energy: 688.9366640268832
Energy: 689.251291906555
Energy: 687.2773329855238
Energy: 689.5429587988908
Energy: 688.9366640268803
Energy: 689.7614225868342
Energy: 687.9141089560051
Energy: 688.8082041633018
Energy: 688.5905664122135
Energy: 689.7614225868373
Energy: 687.9141089560082
Energy: 688.8082041633078
Energy: 689.1225356134204
Energy: 689.989446920794
Energy: 687.3584453421715
Energy: 689.8913576173516
Energy: 689.1225356134172
Energy: 689.9894469208061
Energy: 687.3584453421746
Energy: 690.4267243939121
Energy: 686.2051886391721
Energy: 690.0707079997896
Energy: 687.9370590100384
Energy: 690.426724393909
Energy: 686.2051886391752
Energy: 690.0707079997957
Energy: 687.2757584230122
Energy: 689.2932456017794
Energy: 688.1298959173881
Energy: 687.9945402222008
Energy: 687.2757584230184
Energy: 689.2932456017854
Energy: 688.129895917382
Energy: 689.7326785615874
Energy: 688.0435791057549
Energy: 688.6995975542445
Energy: 687.4315578310765
Energy: 689.7326785615965
Energy: 688.0435791057549
Energy: 688.6995975542445
Energy: 687.1617808907362
Energy: 689.2277780063237
Energy: 686.9627337079255
Energy: 690.5695795569177
Energy: 687.1617808907362
Energy: 689.2277780063267
Energy: 686.9627337079223
Energy: 688.6580260690898
Energy: 688.0204369221976
Energy: 690.9580709288585
Energy: 686.8505077744959
Energy: 688.6580260690898
Energy: 688.0204369221915
Energy: 690.9580709288523
Energy: 688.5419000041553
Energy: 688.60625019274
Energy: 688.805018265393
Energy: 689.3819812290341
Energy: 688.541900004146
Energy: 688.606250192737
Energy: 688.8050182654022
Energy: 689.74254301519
Energy: 688.5891089367487
Energy: 688.6335992537622
Energy: 688.6372524274927
Energy: 689.7425430151869
Energy: 688.5891089367457
Energy: 688.6335992537591
Energy: 687.2040641645959
Energy: 688.537849010698
Energy: 687.4004612019521
Energy: 688.8753314012984
Energy: 687.2040641646021
Energy: 688.537849010698
Energy: 687.400461201958
Energy: 689.8149294403876
Energy: 688.6633111073331
Energy: 687.7211487489949
Energy: 688.5630867279137
Energy: 689.8149294403906
Energy: 688.6633111073362
Energy: 687.7211487489978

minimum gb energy = 686.2051886391721 eV
minimum distance =  2.29623973107586 Angstroms
sigma value = 401


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

Energy: 611.4892178561313
Energy: 603.1893311033792
Energy: 609.5721023669712
Energy: 603.2131171321255
Energy: 611.4892178561321
Energy: 603.1893311033701
Energy: 609.0898160976773
Energy: 610.059777264243
Energy: 606.0593962633817
Energy: 607.3442879457583
Energy: 604.5510094030894
Energy: 610.0597772642424
Energy: 606.0593962633767
Energy: 607.3442879457551
Energy: 608.8091613890814
Energy: 605.9798316117227
Energy: 607.3382742686554
Energy: 605.9801814412718
Energy: 608.8091613890762
Energy: 605.9798316117301
Energy: 607.3382742686563
Energy: 605.8386216239862
Energy: 605.957549095253
Energy: 607.3724904805557
Energy: 607.4447514070466
Energy: 605.838621623995
Energy: 605.9575490952484
Energy: 607.3724904805559
Energy: 606.0301402747757
Energy: 605.9588324832471
Energy: 608.5908402544304
Energy: 607.4360318213568
Energy: 606.0301402747708
Energy: 605.9588324832457
Energy: 607.9752825703412
Energy: 608.7602214362608
Energy: 605.8272583245558
Energy: 606.4080771537078
Energy: 607.343251726023
Energy: 608.760221436256
Energy: 605.8272583245551
Energy: 606.4080771537077
Energy: 608.7428510328183
Energy: 606.0461021086314
Energy: 605.6363496768845
Energy: 607.5106906614478
Energy: 608.742851032816
Energy: 606.0461021086322
Energy: 605.9545778706666
Energy: 608.8589009072099
Energy: 607.5223892300579
Energy: 606.1672897429095
Energy: 605.9434139572097
Energy: 608.8589009072041
Energy: 607.5223892300603
Energy: 606.1672897429163
Energy: 608.7755419318739
Energy: 607.3197023853743
Energy: 607.0067682711859
Energy: 605.9847372344764
Energy: 608.7755419318692
Energy: 607.3197023853693
Energy: 606.7010019437598
Energy: 605.9349739063131
Energy: 607.4330933655783
Energy: 606.4410814169875
Energy: 605.911469950247
Energy: 605.9349739063147
Energy: 607.4330933655726
Energy: 607.5423289797366
Energy: 605.7993991609002
Energy: 607.4458354644447
Energy: 607.8771899256857
Energy: 605.9305653727746
Energy: 605.7993991609085
Energy: 607.4458354644498
Energy: 607.4167843365647
Energy: 608.7961988110692
Energy: 606.0123989066143
Energy: 608.2874381890964
Energy: 605.9698968791641
Energy: 608.7961988110623
Energy: 606.0123989065994
Energy: 608.2874381890899
Energy: 610.0600291771342
Energy: 604.5898519841882
Energy: 607.3663819942095
Energy: 606.0612140239003
Energy: 610.0600291771286
Energy: 604.5898519841996
Energy: 607.334301428783
Energy: 611.489217856131
Energy: 603.1893311033792
Energy: 609.5721023669715
Energy: 603.2131171321255
Energy: 611.4892178561316
Energy: 603.1893311033707
Energy: 609.0898160976769
Energy: 610.059777264243
Energy: 606.0593962633823
Energy: 608.2107688340948
Energy: 604.5510094030894
Energy: 610.0597772642413
Energy: 606.0593962633769
Energy: 607.3442879457548
Energy: 608.8091613890809
Energy: 605.9798316117231
Energy: 607.3382742686558
Energy: 605.9801814412726
Energy: 608.8091613890757
Energy: 605.9798316117308
Energy: 607.3382742686558
Energy: 605.8386216239866
Energy: 605.9575490952534
Energy: 607.3724904805551
Energy: 607.4447514070464
Energy: 605.8386216239946
Energy: 605.9575490952482
Energy: 607.3724904805559
Energy: 606.0301402747752
Energy: 605.9588324832475
Energy: 608.5226235645586
Energy: 607.436031821356
Energy: 606.0301402747704
Energy: 605.9588324832459
Energy: 607.9752825703405
Energy: 608.7602214362608
Energy: 605.8272583245551
Energy: 606.4080771537089
Energy: 607.3432517260225
Energy: 608.7602214362548
Energy: 605.8272583245537
Energy: 606.4080771537077
Energy: 608.7428510328187
Energy: 606.0461021086319
Energy: 605.95457787066
Energy: 607.5106906614478
Energy: 608.7428510328162
Energy: 606.0461021086322
Energy: 605.9545778706666
Energy: 608.8589009072097
Energy: 607.5223892300579
Energy: 606.1672897429095
Energy: 605.9434139572102
Energy: 608.8589009072044
Energy: 607.5223892300593
Energy: 606.1672897429178
Energy: 608.7755419318739
Energy: 607.3197023853741
Energy: 607.0067682711864
Energy: 605.9847372344766
Energy: 608.7755419318694
Energy: 607.31970238537
Energy: 606.2743716374678
Energy: 605.9349739063131
Energy: 607.4330933655785
Energy: 607.892237908821
Energy: 605.911469950247
Energy: 605.9349739063147
Energy: 607.4330933655723
Energy: 608.3841125868593
Energy: 605.7993991609005
Energy: 607.4458354644443
Energy: 608.1912725623838
Energy: 605.9305653727746
Energy: 605.7993991609085
Energy: 607.4458354644498
Energy: 607.4167843365647
Energy: 608.7961988110685
Energy: 606.0123989066143
Energy: 608.5999120675997
Energy: 605.9698968791646
Energy: 608.796198811062
Energy: 606.0123989065997
Energy: 607.8911761316217
Energy: 610.060029177134
Energy: 604.5898519841868
Energy: 608.2185746134612
Energy: 606.0612140239002
Energy: 610.0600291771284
Energy: 604.5898519841993
Energy: 607.7241941052147
Energy: 611.4892178561306
Energy: 603.1893311033796
Energy: 609.5721023669709
Energy: 603.2131171321251
Energy: 611.4892178561321
Energy: 603.1893311033709
Energy: 609.0898160976766
Energy: 610.0597772642441
Energy: 606.0593962633817
Energy: 607.3442879457585
Energy: 604.5510094030899
Energy: 610.0597772642413
Energy: 606.0593962633769
Energy: 607.3442879457548
Energy: 608.8091613890809
Energy: 605.9798316117231
Energy: 607.3382742686553
Energy: 605.9801814412723
Energy: 608.8091613890762
Energy: 605.9798316117308
Energy: 607.3382742686554
Energy: 605.8386216239866
Energy: 605.9575490952528
Energy: 607.7384540473331
Energy: 607.4447514070456
Energy: 605.838621623995
Energy: 605.9575490952477
Energy: 607.7384540473314
Energy: 606.0301402747757
Energy: 605.9588324832475
Energy: 607.9752825703399
Energy: 607.4360318213564
Energy: 606.0301402747708
Energy: 605.9588324832459
Energy: 607.9752825703412
Energy: 608.7602214362615
Energy: 605.8272583245555
Energy: 606.4080771537077
Energy: 607.3432517260234
Energy: 608.760221436256
Energy: 605.8272583245537
Energy: 606.4080771537077
Energy: 608.7428510328183
Energy: 606.0461021086319
Energy: 605.9545778706594
Energy: 607.5106906614482
Energy: 608.7428510328162
Energy: 606.0461021086322
Energy: 605.9545778706663
Energy: 608.8589009072097
Energy: 607.5223892300579
Energy: 606.1672897429087
Energy: 605.9434139572097
Energy: 608.8589009072041
Energy: 607.5223892300598
Energy: 606.1672897429178
Energy: 608.7755419318736
Energy: 607.3197023853737
Energy: 607.0067682711856
Energy: 605.9847372344764
Energy: 608.7755419318688
Energy: 607.3197023853693
Energy: 606.7010019437598
Energy: 605.9349739063136
Energy: 607.4330933655785
Energy: 607.5694242384001
Energy: 605.911469950247
Energy: 605.9349739063147
Energy: 607.4330933655734
Energy: 607.5423289797361
Energy: 605.7993991609
Energy: 607.445835464445
Energy: 607.4167843365752
Energy: 605.9305653727741
Energy: 605.7993991609085
Energy: 607.4458354644498
Energy: 607.4167843365642
Energy: 608.7961988110692
Energy: 606.0123989066147
Energy: 608.6769072913141
Energy: 605.9698968791646
Energy: 608.7961988110627
Energy: 606.0123989065994
Energy: 608.5999120676042
Energy: 610.060029177134
Energy: 604.5898519841882
Energy: 607.8213841684675
Energy: 606.0612140239003
Energy: 610.0600291771286
Energy: 604.589851984199
Energy: 608.094284785644
Energy: 611.489217856131
Energy: 603.1893311033796
Energy: 610.0083805904815
Energy: 603.2131171321258
Energy: 611.4892178561328
Energy: 603.1893311033707
Energy: 609.0898160976773
Energy: 610.059777264243
Energy: 606.0593962633823
Energy: 607.7482086064824
Energy: 604.5510094030901
Energy: 610.0597772642418
Energy: 606.0593962633767
Energy: 607.3442879457546

minimum gb energy = 603.1893311033701 eV
minimum distance =  2.29554797164015 Angstroms
sigma value = 311


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

Energy: 343.6804069849787
Energy: 346.23193238505786
Energy: 348.16039288702365
Energy: 346.2077593598685
Energy: 343.6804069849799
Energy: 346.23193238505786
Energy: 347.82219570584186
Energy: 345.6607115058773
Energy: 349.4781710278805
Energy: 347.2801369243187
Energy: 348.73477263393687
Energy: 345.6607115058773
Energy: 349.47817102787855
Energy: 347.2801369243194
Energy: 346.8515483432122
Energy: 346.9216888493999
Energy: 347.1450835647078
Energy: 347.41904311550394
Energy: 346.8515483432122
Energy: 346.92168884940196
Energy: 346.90306503636094
Energy: 346.7703835123654
Energy: 348.67542205647516
Energy: 347.1479443987535
Energy: 349.51759127105544
Energy: 346.7703835123677
Energy: 348.6754220564732
Energy: 347.14794439875516
Energy: 346.0053772819643
Energy: 345.33941224898723
Energy: 347.6480234859754
Energy: 346.94320172893106
Energy: 346.0053772819639
Energy: 345.33941224898723
Energy: 346.97372909550455
Energy: 346.88191403660437
Energy: 349.1436754263221
Energy: 346.45959645382396
Energy: 349.6108612336683
Energy: 346.8819140366032
Energy: 349.1436754263217
Energy: 346.45959645382555
Energy: 346.82452320844
Energy: 346.36536444691814
Energy: 347.3386783182187
Energy: 347.0315975747864
Energy: 346.8245232084404
Energy: 346.3653644469162
Energy: 347.33867831821954
Energy: 346.8757222036477
Energy: 346.9464037676214
Energy: 345.48204990539887
Energy: 348.59662362305374
Energy: 346.8757222036485
Energy: 346.94640376762055
Energy: 345.482049905398
Energy: 346.7729331361918
Energy: 348.6985906259949
Energy: 346.7436823581268
Energy: 347.0002683023205
Energy: 346.77293313619134
Energy: 348.6985906259929
Energy: 346.21834823887656
Energy: 347.77954341128543
Energy: 346.1700685469131
Energy: 345.9346897019375
Energy: 346.17854014334046
Energy: 347.779543411283
Energy: 346.1700685469131
Energy: 345.9346897019398
Energy: 345.9868252868688
Energy: 348.6744041454387
Energy: 346.4711900178275
Energy: 349.53668960541165
Energy: 345.98682528687
Energy: 348.6744041454355
Energy: 346.4711900178291
Energy: 345.346705907409
Energy: 345.40319847162664
Energy: 344.9122291912527
Energy: 344.4076243190674
Energy: 345.34670590741104
Energy: 345.40319847162544
Energy: 344.91222919125386
Energy: 344.7643808141389
Energy: 349.52166573779846
Energy: 345.53747542260345
Energy: 348.6342720186632
Energy: 344.7643808141389
Energy: 349.52166573779846
Energy: 345.53747542260305
Energy: 348.61055225024967
Energy: 346.89124739268874
Energy: 343.9464090005909
Energy: 346.47732305672497
Energy: 348.61055225025126
Energy: 346.89124739268954
Energy: 343.9464090005921
Energy: 345.1480558016579
Energy: 348.7197283821897
Energy: 345.48794774000095
Energy: 349.5142339384272
Energy: 345.14805580165876
Energy: 348.71972838219097
Energy: 345.48794773999936
Energy: 345.3435795332486
Energy: 344.41898949099374
Energy: 344.84751342418474
Energy: 345.4268112144113
Energy: 345.343579533249
Energy: 344.41898949099533
Energy: 344.8475134241843
Energy: 346.01881526059384
Energy: 349.09326797909597
Energy: 346.60692848346383
Energy: 348.6969723126564
Energy: 346.018815260595
Energy: 349.09326797909665
Energy: 346.60692848346383
Energy: 347.30045625953835
Energy: 346.1957802211492
Energy: 346.4165611641725
Energy: 346.1676552172908
Energy: 347.30045625953994
Energy: 346.19578022115
Energy: 346.41656116417295
Energy: 346.780916756376
Energy: 346.9697794722673
Energy: 347.19644391888164
Energy: 348.67224195333495
Energy: 346.7809167563736
Energy: 346.9697794722669
Energy: 347.19644391888005
Energy: 346.89723247038575
Energy: 348.61149042245387
Energy: 345.469526264838
Energy: 346.9875111173649
Energy: 346.89723247038415
Energy: 348.61149042245387
Energy: 345.46952626483676
Energy: 346.8058926470876
Energy: 346.9888341926557
Energy: 347.5787237285726
Energy: 346.44947596011616
Energy: 346.80589264708794
Energy: 346.98883419265536
Energy: 347.02163527780516
Energy: 346.89410910359766
Energy: 349.14707663490475
Energy: 346.4581623951758
Energy: 349.4872787125179
Energy: 346.8941091035973
Energy: 349.1470766349043
Energy: 346.4581623951742
Energy: 346.05156009788254
Energy: 346.9521029212828
Energy: 347.1905120688448
Energy: 345.31636203906083
Energy: 346.0515600978805
Energy: 346.952102921282
Energy: 347.190512068844
Energy: 346.3485753633756
Energy: 349.52655057200894
Energy: 347.0571610387035
Energy: 348.6819906316681
Energy: 346.3485753633748
Energy: 349.5265505720098
Energy: 347.05716103870236
Energy: 346.8488926438709
Energy: 347.8261995593258
Energy: 347.81974926505694
Energy: 346.4412006751998
Energy: 346.8488926438725
Energy: 347.8261995593254
Energy: 347.344443859414
Energy: 346.0615584495704
Energy: 348.7879730249843
Energy: 347.18952547779674
Energy: 349.514531808499
Energy: 346.06155844956993
Energy: 348.78797302498464
Energy: 347.18952547779793
Energy: 343.68040698498027
Energy: 346.2319323850583
Energy: 347.5653964750477
Energy: 346.2077593598673
Energy: 343.680406984979
Energy: 346.23193238505786
Energy: 347.56539647505
Energy: 346.0934296960721
Energy: 349.1518038391578
Energy: 347.28013692431904
Energy: 348.7347726339356
Energy: 346.0934296960721
Energy: 349.15180383915737
Energy: 347.2801369243187
Energy: 346.37817780385535
Energy: 346.92168884940037
Energy: 346.44275413416113
Energy: 347.82692309517336
Energy: 346.37817780385535
Energy: 346.92168884940037
Energy: 346.4427541341608
Energy: 346.770383512367
Energy: 348.6754220564748
Energy: 347.14794439875476
Energy: 349.51759127105544
Energy: 346.77038351236655
Energy: 348.67542205647396
Energy: 347.1479443987539
Energy: 346.0053772819647
Energy: 345.3394122489868
Energy: 346.40346629476215
Energy: 346.94320172893066
Energy: 346.0053772819643
Energy: 345.33941224898723
Energy: 347.370732023788
Energy: 346.88191403660403
Energy: 349.48743746735784
Energy: 346.4595964538252
Energy: 349.1523217678078
Energy: 346.8819140366032
Energy: 349.4874374673598
Energy: 346.45959645382555
Energy: 346.82452320843913
Energy: 345.79937665247047
Energy: 347.3386783182187
Energy: 347.0315975747861
Energy: 346.82452320844
Energy: 345.7993766524709
Energy: 348.1704820871437
Energy: 346.8757222036469
Energy: 346.94640376762055
Energy: 345.48204990539887
Energy: 348.5966236230513
Energy: 346.8757222036481
Energy: 346.946403767621
Energy: 345.4820499053976
Energy: 346.37407610022683
Energy: 348.6985906259933
Energy: 345.5622035942149
Energy: 347.0002683023212
Energy: 346.37407610022564
Energy: 348.69859062599403
Energy: 345.5622035942165
Energy: 347.779543411283
Energy: 346.1700685469131
Energy: 346.3703764439053
Energy: 346.1785401433416
Energy: 347.77954341128503
Energy: 346.17006854691346
Energy: 346.37037644390733

minimum gb energy = 343.6804069849787 eV
minimum distance =  2.31544765994899 Angstroms
sigma value = 39


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

Energy: 439.24220216821755
Energy: 441.4753874108781
Energy: 445.0644526928772
Energy: 441.51109291166347
Energy: 439.2422021682208
Energy: 441.4753874108751
Energy: 444.1154038486307
Energy: 439.1666494931396
Energy: 441.21079537148603
Energy: 442.9960034699731
Energy: 441.3135324175131
Energy: 439.1666494931429
Energy: 441.21079537148523
Energy: 442.9960034699704
Energy: 439.24261471296984
Energy: 445.1408820948667
Energy: 441.49463912788804
Energy: 443.2452285503677
Energy: 439.24261471296796
Energy: 445.1408820948648
Energy: 441.4946391278876
Energy: 439.06698905719236
Energy: 441.2802831956298
Energy: 443.2574057182243
Energy: 441.5485858454748
Energy: 439.06698905719514
Energy: 441.28028319563595
Energy: 443.2574057182233
Energy: 441.2353025407411
Energy: 443.2884706222255
Energy: 445.08392092147176
Energy: 443.23821663192416
Energy: 441.23530254074296
Energy: 443.2884706222217
Energy: 443.4039497185411
Energy: 439.03811896655634
Energy: 441.3761994085262
Energy: 439.40611787713243
Energy: 441.40323172744485
Energy: 439.0381189665597
Energy: 441.3761994085281
Energy: 439.4061178771395
Energy: 443.3401884464655
Energy: 443.32064359512975
Energy: 446.0417840879502
Energy: 443.36729478209355
Energy: 443.3401884464602
Energy: 443.32064359513265
Energy: 446.0565154927805
Energy: 439.0850731188812
Energy: 443.2573771786459
Energy: 439.55568266720445
Energy: 443.2817842980183
Energy: 439.0850731188779
Energy: 443.25737717864735
Energy: 439.555682667203
Energy: 443.34714904523247
Energy: 443.37135120373785
Energy: 445.83714969202913
Energy: 443.2939398012115
Energy: 443.3471490452339
Energy: 443.37135120374063
Energy: 445.83714969202777
Energy: 439.0678685595866
Energy: 441.4940977144122
Energy: 439.53371780628476
Energy: 441.5519632208663
Energy: 439.0678685595852
Energy: 441.4940977144155
Energy: 439.5337178062834
Energy: 441.18207050564035
Energy: 443.2358870918476
Energy: 442.87947581141964
Energy: 443.20887162155253
Energy: 441.1820705056437
Energy: 443.23588709184565
Energy: 442.1538578260416
Energy: 439.0605902518382
Energy: 441.4026873778779
Energy: 443.2580951293412
Energy: 441.41693295879963
Energy: 439.060590251833
Energy: 441.4026873778726
Energy: 443.2580951293412
Energy: 439.24256990064725
Energy: 443.2626362306496
Energy: 442.6635821825398
Energy: 445.1464747864856
Energy: 439.2425699006454
Energy: 443.2626362306463
Energy: 442.66358218254305
Energy: 439.1521431999858
Energy: 441.3162071932578
Energy: 443.18612926396196
Energy: 441.27429082961345
Energy: 439.1521431999858
Energy: 441.31620719325593
Energy: 443.1861292639662
Energy: 439.24220216821755
Energy: 441.4753874108776
Energy: 444.1154038486313
Energy: 441.511092911664
Energy: 439.2422021682208
Energy: 441.4753874108762
Energy: 444.11540384862974
Energy: 439.1666494931396
Energy: 441.21079537148603
Energy: 442.9960034699731
Energy: 441.31353241751265
Energy: 439.1666494931425
Energy: 441.21079537148466
Energy: 442.9960034699708
Energy: 439.24261471297035
Energy: 445.14088209486636
Energy: 441.4946391278876
Energy: 443.2452285503677
Energy: 439.2426147129685
Energy: 445.1408820948648
Energy: 441.4946391278876
Energy: 439.0669890571914
Energy: 441.2802831956298
Energy: 443.25740571822377
Energy: 441.54858584547526
Energy: 439.06698905719514
Energy: 441.2802831956364
Energy: 443.2574057182229
Energy: 441.2353025407411
Energy: 443.2884706222255
Energy: 443.4039497185402
Energy: 443.23821663192416
Energy: 441.2353025407434
Energy: 443.2884706222217
Energy: 443.4039497185416
Energy: 439.0381189665559
Energy: 441.37619940852716
Energy: 439.4061178771343
Energy: 441.40323172744485
Energy: 439.0381189665597
Energy: 441.3761994085281
Energy: 439.40611787713897
Energy: 443.340188446465
Energy: 443.3206435951293
Energy: 445.62718298807596
Energy: 443.36729478209253
Energy: 443.3401884464607
Energy: 443.32064359513265
Energy: 445.62718298807306
Energy: 439.0850731188817
Energy: 443.2573771786454
Energy: 439.55568266720445
Energy: 443.2817842980183
Energy: 439.0850731188779
Energy: 443.25737717864735
Energy: 439.555682667203
Energy: 443.3471490452339
Energy: 443.37135120373875
Energy: 445.27499760706263
Energy: 443.2939398012115
Energy: 443.34714904523287
Energy: 443.37135120374063
Energy: 445.2749976070616
Energy: 439.0678685595866
Energy: 441.4940977144122
Energy: 439.53371780628436
Energy: 441.5519632208658
Energy: 439.06786855958467
Energy: 441.494097714416
Energy: 439.53371780628476
Energy: 441.18207050564087
Energy: 443.235887091848
Energy: 441.73038281587054
Energy: 443.20887162155253
Energy: 441.1820705056437
Energy: 443.2358870918453
Energy: 441.73038281587105
Energy: 439.0605902518387
Energy: 441.40268737787693
Energy: 443.2580951293412
Energy: 441.41693295879963
Energy: 439.0605902518326
Energy: 441.40268737787216
Energy: 443.2580951293417
Energy: 439.2425699006477
Energy: 443.2626362306496
Energy: 441.6503470817773
Energy: 445.1464747864861
Energy: 439.24256990064583
Energy: 443.26263623064665
Energy: 441.65034708177444
Energy: 439.1521431999858
Energy: 441.31620719325736
Energy: 443.18612926396145
Energy: 441.27429082961294
Energy: 439.15214319998626
Energy: 441.31620719325593
Energy: 443.1861292639662
Energy: 439.24220216821755
Energy: 441.4753874108776
Energy: 444.1154038486293
Energy: 441.511092911664
Energy: 439.2422021682203
Energy: 441.47538741087567
Energy: 444.1154038486302
Energy: 439.1666494931401
Energy: 441.2107953714856
Energy: 442.99600346997266
Energy: 441.31353241751265
Energy: 439.1666494931429
Energy: 441.21079537148466
Energy: 442.9960034699708

minimum gb energy = 439.0381189665559 eV
minimum distance =  2.31460406421552 Angstroms
sigma value = 21


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

Energy: 362.3355823914173
Energy: 361.4728985877892
Energy: 365.1271140085889
Energy: 361.4626591656468
Energy: 362.3355823914173
Energy: 361.4728985877903
Energy: 365.0507200230072
Energy: 357.6360096091258
Energy: 363.4642844521381
Energy: 364.6404342728817
Energy: 363.5618311239167
Energy: 357.6360096091258
Energy: 363.4642844521376
Energy: 364.6404342728811
Energy: 362.30705076921964
Energy: 363.6544282611642
Energy: 363.41615924835855
Energy: 362.54947849933336
Energy: 362.3070507692202
Energy: 363.65442826116254
Energy: 363.4161592483604
Energy: 359.9655100591273
Energy: 363.4870649450925
Energy: 363.44313655279336
Energy: 363.54346714042674
Energy: 359.9655100591267
Energy: 363.48706494509423
Energy: 363.44313655279103
Energy: 363.5656680024208
Energy: 363.6499208350396
Energy: 364.5395489146599
Energy: 363.71525372948184
Energy: 363.5656680024191
Energy: 363.64992083503734
Energy: 364.53954891466105
Energy: 359.9950043058453
Energy: 362.3941264232818
Energy: 361.23063704757595
Energy: 363.6663340035228
Energy: 359.9950043058453
Energy: 362.3941264232789
Energy: 361.23063704757595
Energy: 362.40253637207087
Energy: 363.64393636782575
Energy: 365.247335845124
Energy: 363.6568784505133
Energy: 362.4025363720713
Energy: 363.643936367824
Energy: 364.58763408370714
Energy: 361.2437603108153
Energy: 361.14329307723096
Energy: 361.203700481549
Energy: 363.620801364461
Energy: 361.2437603108158
Energy: 361.1432930772298
Energy: 361.20370048154615
Energy: 362.3653008306269
Energy: 363.701397542395
Energy: 362.39088334586137
Energy: 362.367204624232
Energy: 362.3653008306275
Energy: 363.7013975423956
Energy: 362.39088334586313
Energy: 362.3525880651377
Energy: 362.2770625482428
Energy: 363.51046474414306
Energy: 363.62957897183
Energy: 362.3525880651372
Energy: 362.2770625482434
Energy: 363.5104647441426
Energy: 362.44434510090343
Energy: 364.8140645347211
Energy: 363.0170297154615
Energy: 364.7662570309771
Energy: 362.4443451009028
Energy: 364.8140645347229
Energy: 362.35805424812196
Energy: 364.7849902850873
Energy: 362.44658200685257
Energy: 362.3585074231115
Energy: 362.41300652048983
Energy: 364.78499028508793
Energy: 362.4465820068491
Energy: 362.3585074231109
Energy: 362.42661311200874
Energy: 364.83935861161655
Energy: 363.45060140992143
Energy: 363.50814932545063
Energy: 362.42661311200754
Energy: 364.83935861161655
Energy: 363.4506014099209
Energy: 364.7469767249497
Energy: 362.4528977888073
Energy: 361.2994695586816
Energy: 362.3040687784367
Energy: 364.7469767249508
Energy: 362.4528977888068
Energy: 361.2994695586834
Energy: 360.0169381703315
Energy: 366.0012240482184
Energy: 363.54439851605844
Energy: 363.4967772067901
Energy: 360.01693817032975
Energy: 366.0012240482213
Energy: 363.54439851605895
Energy: 364.69718821301194
Energy: 361.173874544675
Energy: 361.38876810911984
Energy: 359.91719120917526
Energy: 364.6971882130143
Energy: 361.1738745446757
Energy: 361.3887681091216
Energy: 360.0960338100658
Energy: 366.0335883157232
Energy: 362.47932221053946
Energy: 363.4600718739691
Energy: 360.09603381006394
Energy: 366.0335883157244
Energy: 362.47932221053895
Energy: 364.73577396514185
Energy: 362.3859631138706
Energy: 361.2803817554002
Energy: 361.1851018948451
Energy: 364.7357739651407
Energy: 362.3859631138712
Energy: 361.2803817553997
Energy: 362.420561769663
Energy: 365.9250158817939
Energy: 360.08343631958263
Energy: 363.5491600531934
Energy: 362.420561769663
Energy: 365.92501588179624
Energy: 360.0834363195798
Energy: 364.65555788686294
Energy: 362.42445393213853
Energy: 362.5241239371269
Energy: 362.4744054355031
Energy: 364.65555788686527
Energy: 362.4244539321408
Energy: 362.5241239371269
Energy: 362.41501438134895
Energy: 363.55403833906684
Energy: 360.0173552027819
Energy: 365.90148762157395
Energy: 362.4150143813495
Energy: 363.5540383390662
Energy: 360.0173552027819
Energy: 364.79554955399436
Energy: 361.1614673013514
Energy: 361.15975617741486
Energy: 362.3564919529509
Energy: 364.7955495539933
Energy: 361.1614673013503
Energy: 361.15975617741424
Energy: 360.0554005357276
Energy: 363.48311091395385
Energy: 362.3918890519963
Energy: 365.9983362685418
Energy: 360.0554005357276
Energy: 363.48311091395317
Energy: 362.3918890519974
Energy: 364.7118524480976
Energy: 359.94340747805575
Energy: 361.29648558936225
Energy: 361.20488197114037
Energy: 364.7118524480993
Energy: 359.9434074780568
Energy: 361.2964855893646
Energy: 360.1104557435735
Energy: 363.50939609086
Energy: 364.70858369756553
Energy: 365.9922991575834
Energy: 360.1104557435769
Energy: 363.5093960908594
Energy: 364.7085836975684

minimum gb energy = 357.6360096091258 eV
minimum distance =  2.27895869594834 Angstroms
sigma value = 113


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

Energy: 654.8458723585219
Energy: 656.0617048597715
Energy: 659.0941318641076
Energy: 656.1390684868431
Energy: 654.8458723585283
Energy: 656.0617048597683
Energy: 658.754786501063
Energy: 656.2791980440048
Energy: 656.0976807988471
Energy: 658.8757343051087
Energy: 656.1384783879869
Energy: 656.2791980440143
Energy: 656.0976807988502
Energy: 658.8757343051119
Energy: 654.8336003020663
Energy: 656.8567617472471
Energy: 658.1238493568326
Energy: 656.8248211376213
Energy: 654.8336003020601
Energy: 656.8567617472471
Energy: 658.1238493568294
Energy: 657.6237982572661
Energy: 656.1582415387898
Energy: 658.4913098911034
Energy: 656.1328063955627
Energy: 657.6237982572726
Energy: 656.1582415387898
Energy: 658.4913098911067
Energy: 655.5430931214185
Energy: 657.4056119615425
Energy: 658.9476297550457
Energy: 657.5436997237521
Energy: 655.5430931214087
Energy: 657.4056119615425
Energy: 658.9476297550457
Energy: 657.6372054190267
Energy: 657.4366732255223
Energy: 656.8293236633131
Energy: 656.865844850268
Energy: 657.6372054190236
Energy: 657.4366732255318
Energy: 656.8293236633193
Energy: 656.1506002505696
Energy: 657.5168203023546
Energy: 657.9345614493399
Energy: 656.9008542502619
Energy: 656.1506002505762
Energy: 657.5168203023578
Energy: 657.9345614493303
Energy: 657.6564734302004
Energy: 657.6093114672503
Energy: 657.5254485611792
Energy: 657.4757342998266
Energy: 657.6564734301938
Energy: 657.609311467244
Energy: 657.5254485611792
Energy: 656.1885245254648
Energy: 656.8035887869161
Energy: 656.7489285105809
Energy: 658.1251778800764
Energy: 656.1885245254617
Energy: 656.8035887869257
Energy: 656.7489285105843
Energy: 657.6870410153837
Energy: 657.4988907863687
Energy: 656.8222007556402
Energy: 656.9024932657479
Energy: 657.6870410153866
Energy: 657.498890786372
Energy: 656.8222007556402
Energy: 656.2537455277621
Energy: 656.2523988504822
Energy: 657.3069296582971
Energy: 658.1216285796332
Energy: 656.2537455277686
Energy: 656.2523988504792
Energy: 657.3069296582971
Energy: 657.6848461606387
Energy: 657.46351244957
Energy: 655.3815868048545
Energy: 657.59651270826
Energy: 657.6848461606387
Energy: 657.46351244957
Energy: 655.3815868048513
Energy: 656.1816986116377
Energy: 656.1004096785168
Energy: 657.6849943348255
Energy: 657.4608945960043
Energy: 656.1816986116377
Energy: 656.1004096785168
Energy: 657.3496360437475
Energy: 656.1536549067969
Energy: 656.2183050025242
Energy: 655.5212062794184
Energy: 656.824001323096
Energy: 656.1536549068
Energy: 656.2183050025242
Energy: 655.5212062794184
Energy: 656.2636601329399
Energy: 655.3468964582938
Energy: 656.1460521879903
Energy: 656.2346161137157
Energy: 656.2636601329431
Energy: 655.3468964582906
Energy: 656.1460521879935
Energy: 656.1663030865963
Energy: 657.5247014658138
Energy: 656.753940865259
Energy: 657.6095438469234
Energy: 656.1663030865897
Energy: 657.5247014658138
Energy: 656.7539408652624
Energy: 656.1758365841023
Energy: 656.0798038974305
Energy: 656.5375013171612
Energy: 657.4595390837934
Energy: 656.1758365840927
Energy: 656.079803897427
Energy: 656.012178723326
Energy: 657.6470552530747
Energy: 657.481421192475
Energy: 656.7885205401092
Energy: 656.9534134669639
Energy: 657.6470552530712
Energy: 657.4814211924781
Energy: 656.7885205401026
Energy: 656.1552213530267
Energy: 656.19494989659
Energy: 657.4086139761563
Energy: 656.8775623760579
Energy: 656.1552213530235
Energy: 656.19494989659
Energy: 657.4086139761466
Energy: 657.419497766534
Energy: 658.3013888987988
Energy: 656.2454784088179
Energy: 658.1312165599338
Energy: 657.4194977665373
Energy: 658.3013888987956
Energy: 656.2454784088146
Energy: 656.2442154649901
Energy: 656.7942599013004
Energy: 658.1404064752369
Energy: 656.2068011020966
Energy: 656.2442154649965
Energy: 656.7942599013038
Energy: 658.1404064752433
Energy: 657.5621088158639
Energy: 657.0221894004487
Energy: 656.7660955958604
Energy: 656.8408887961148
Energy: 657.5621088158607
Energy: 657.0221894004487
Energy: 656.7660955958634
Energy: 656.266111979053
Energy: 657.4612126810982
Energy: 657.5348775187432
Energy: 656.6923286479453
Energy: 656.2661119790497
Energy: 657.461212681095
Energy: 657.53487751874
Energy: 656.119467138237
Energy: 657.6718815290274
Energy: 656.6754127612852
Energy: 656.820122860297
Energy: 656.119467138237
Energy: 657.6718815290211
Energy: 656.675412761282
Energy: 656.198984857652
Energy: 656.1599383965705
Energy: 658.5236247851329
Energy: 656.1771336109927
Energy: 656.1989848576455
Energy: 656.1599383965835
Energy: 658.1801589066663
Energy: 655.5163581596374
Energy: 656.9847872611106
Energy: 655.9917819749314
Energy: 656.0918346308343
Energy: 655.5163581596438
Energy: 656.9847872611138
Energy: 655.9917819749346
Energy: 654.7812794468863
Energy: 656.1989934954771
Energy: 658.4835110951368
Energy: 656.1220152184978
Energy: 654.7812794468895
Energy: 656.1989934954738
Energy: 658.4835110951304
Energy: 655.4849018860139
Energy: 656.33215045699
Energy: 656.1343565258803
Energy: 655.4288313845619
Energy: 655.4849018860107
Energy: 656.3321504569869
Energy: 656.1343565258803
Energy: 654.8371068068979
Energy: 656.1787924985452
Energy: 656.8049705387298
Energy: 656.17364945017
Energy: 654.8371068068979
Energy: 656.1787924985452
Energy: 656.8049705387328
Energy: 655.4342601166572
Energy: 656.9621617472708
Energy: 656.0415907407141
Energy: 656.1667248087621
Energy: 655.4342601166572
Energy: 656.962161747274
Energy: 656.041590740711
Energy: 656.2183096017801
Energy: 656.1636693071381
Energy: 656.3160581516969
Energy: 656.1304932358601
Energy: 656.2183096017835
Energy: 656.1636693071413
Energy: 656.3160581516873
Energy: 655.4363098476249
Energy: 657.6192358184973
Energy: 656.7147618153706
Energy: 656.7236991375266
Energy: 655.4363098476279
Energy: 657.6192358184938
Energy: 656.714761815361
Energy: 656.2824727349134
Energy: 657.575466991383
Energy: 656.1556741517834
Energy: 656.1701832056258
Energy: 656.2824727349039
Energy: 657.575466991383
Energy: 656.1556741517768
Energy: 656.2937444299691
Energy: 657.5566195981436
Energy: 655.508006501086
Energy: 656.1277830592385
Energy: 656.2937444299691
Energy: 657.5566195981406
Energy: 655.5080065010891
Energy: 656.2267268272141
Energy: 658.1833290564373
Energy: 657.5727004927342
Energy: 656.9659265895841
Energy: 656.2267268272109
Energy: 658.1833290564373
Energy: 657.5727004927279
Energy: 656.3374610386006
Energy: 656.1508668010665
Energy: 655.4485926153477
Energy: 657.5951636388735
Energy: 656.3374610385976
Energy: 656.1508668010665
Energy: 655.4485926153446
Energy: 656.2587215467917
Energy: 657.5257266950742
Energy: 656.8923659062457
Energy: 656.2710097670126
Energy: 656.2587215467885
Energy: 657.5257266950678
Energy: 656.8923659062553
Energy: 655.1347561127741
Energy: 656.1426273211331
Energy: 656.7287617197698
Energy: 657.5846281491281
Energy: 655.134756112771
Energy: 656.1426273211331
Energy: 656.7287617197857
Energy: 656.303220893662
Energy: 656.8956498608374
Energy: 655.5662093609026
Energy: 656.9669041968906
Energy: 656.3032208936751
Energy: 656.8956498608276
Energy: 655.5662093609026
Energy: 654.9198208368216
Energy: 655.5026912292502
Energy: 656.6275058625614
Energy: 656.8262628225225
Energy: 654.9198208368183
Energy: 655.5026912292534
Energy: 656.627505862555
Energy: 655.5124869777272
Energy: 656.8836678658447
Energy: 655.5704422732061
Energy: 656.956172374511
Energy: 655.5124869777242
Energy: 656.8836678658415
Energy: 655.5704422732096
Energy: 655.0533921566898
Energy: 655.4275857713703
Energy: 655.5575672218048
Energy: 656.2125576022379
Energy: 655.053392156677
Energy: 655.4275857713641
Energy: 655.5575672218048
Energy: 656.2763436929381
Energy: 656.8908458110928
Energy: 656.779187311653
Energy: 656.9244193291314
Energy: 656.2763436929413
Energy: 656.890845811096
Energy: 656.7791873116561
Energy: 655.0112120131611
Energy: 656.0593788595868
Energy: 655.4076610884863
Energy: 657.4406161749974
Energy: 655.0112120131678
Energy: 656.0593788595774
Energy: 655.4076610884928
Energy: 657.6802688995298
Energy: 656.8045858341911
Energy: 656.9054650089518
Energy: 656.2339987959416
Energy: 657.6802688995298
Energy: 656.8045858341977
Energy: 656.9054650089486

minimum gb energy = 654.7812794468863 eV
minimum distance =  2.29569365900265 Angstroms
sigma value = 365


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

Energy: 382.5552219552843
Energy: 382.2003900857119
Energy: 394.94367097239956
Energy: 382.2003900857127
Energy: 382.5552219552843
Energy: 382.2003900857119
Energy: 391.4299808044103
Energy: 382.5552219552843
Energy: 382.20039008571337
Energy: 401.5607364251036
Energy: 382.20039008571337
Energy: 382.55522195528494
Energy: 382.20039008571337
Energy: 391.4299808044081
Energy: 382.5552219552872
Energy: 382.2003900857127
Energy: 392.9275572441796
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.2003900857127
Energy: 392.29819141454374
Energy: 382.5552219552843
Energy: 382.2003900857119
Energy: 392.29819141454306
Energy: 382.2003900857127
Energy: 382.55522195528573
Energy: 382.20039008571126
Energy: 391.4299808044095
Energy: 382.55522195528494
Energy: 382.20039008571416
Energy: 396.438190995184
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.20039008571337
Energy: 391.4299808044089
Energy: 382.5552219552864
Energy: 382.20039008571337
Energy: 392.86142134401763
Energy: 382.20039008571416
Energy: 382.5552219552864
Energy: 382.2003900857127
Energy: 392.29819141454374
Energy: 382.5552219552843
Energy: 382.2003900857127
Energy: 392.60315842937024
Energy: 382.2003900857119
Energy: 382.5552219552864
Energy: 382.2003900857119
Energy: 391.4299808044095
Energy: 382.55522195528494
Energy: 382.20039008571416
Energy: 395.6694972837541
Energy: 382.2003900857127
Energy: 382.55522195528494
Energy: 382.20039008571416
Energy: 392.91695842337833
Energy: 382.55522195528573
Energy: 382.2003900857127
Energy: 392.4380630769528
Energy: 382.20039008571416
Energy: 382.55522195528494
Energy: 382.2003900857127
Energy: 392.91498140446276
Energy: 382.55522195528573
Energy: 382.2003900857127
Energy: 392.60315842936944
Energy: 382.2003900857119
Energy: 382.55522195528573
Energy: 382.2003900857119
Energy: 391.4299808044103
Energy: 382.5552219552835
Energy: 382.2003900857127
Energy: 393.03345628105563
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.20039008571416
Energy: 392.91695842337833
Energy: 382.5552219552872
Energy: 382.2003900857127
Energy: 392.29819141454163
Energy: 382.20039008571416
Energy: 382.5552219552864
Energy: 382.2003900857119
Energy: 392.9169584233769
Energy: 382.55522195528573
Energy: 382.2003900857119
Energy: 392.60315842937024
Energy: 382.2003900857127
Energy: 382.55522195528573
Energy: 382.2003900857119
Energy: 392.6031584293687
Energy: 382.5552219552843
Energy: 382.20039008571337
Energy: 391.4299808044074
Energy: 382.20039008571337
Energy: 382.5552219552864
Energy: 382.20039008571337
Energy: 392.91695842337833
Energy: 382.55522195528494
Energy: 382.20039008571337
Energy: 391.4299808044081
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.2003900857127
Energy: 392.29819141454374
Energy: 382.55522195528494
Energy: 382.2003900857127
Energy: 391.4299808044066
Energy: 382.2003900857127
Energy: 382.5552219552864
Energy: 382.2003900857119
Energy: 391.4299808044103
Energy: 382.5552219552843
Energy: 382.20039008571337
Energy: 391.4299808044066
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.20039008571337
Energy: 392.29819141454163
Energy: 382.5552219552843
Energy: 382.20039008571337
Energy: 391.4299808044089
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.20039008571337
Energy: 391.4299808044081
Energy: 382.55522195528494
Energy: 382.2003900857127
Energy: 391.4299808044066
Energy: 382.2003900857119
Energy: 382.55522195528573
Energy: 382.2003900857119
Energy: 391.4299808044095
Energy: 382.5552219552843
Energy: 382.20039008571337
Energy: 391.4299808044074
Energy: 382.20039008571337
Energy: 382.55522195528573
Energy: 382.20039008571416
Energy: 391.4299808044089

minimum gb energy = 382.20039008571126 eV
minimum distance =  2.384493338856 Angstroms
sigma value = 23