Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000994205475
cohesive_energy=4.414156524791696
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: -0.0364522165523 eV

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

Energy: 0.0203727461372492
Energy: 0.4742283725906431
Energy: 0.47422837258911854
Energy: 0.0203727461372492
Energy: 0.4742283725921678
Energy: 0.47422837258911854
Energy: 0.0203727461372492
Energy: 0.4742283725906431
Energy: 0.4742283725906431
Energy: 0.0203727461372492
Energy: 0.47146540322250313
Energy: 0.024302158489356816
Energy: 0.4712568544405482
Energy: 0.4714654032209785
Energy: 0.024302158490881406
Energy: 0.4712568544435975
Energy: 0.47146540322250313
Energy: 0.024302158490881406
Energy: 0.4712568544420728
Energy: 0.4714654032209785
Energy: 1.6148662113059469
Energy: 0.020620917040913123
Energy: 0.020620917043962295
Energy: 1.6216107730801412
Energy: 0.020620917043962295
Energy: 0.020620917040913123
Energy: 0.7568930332858526
Energy: 0.2585235497322537
Energy: 0.02062091704243771
Energy: 1.3605032195923101
Energy: 0.4714654032209785
Energy: 0.4712568544420728
Energy: 0.024302158490881406
Energy: 0.4714654032209785
Energy: 0.4712568544420728
Energy: 0.024302158489356816
Energy: 0.4714654032209785
Energy: 0.4712568544435975
Energy: 0.024302158489356816
Energy: 0.4714654032209785
Energy: 0.0203727461372492
Energy: 0.4742283725921678
Energy: 0.4742283725921678
Energy: 0.0203727461372492
Energy: 0.4742283725936924
Energy: 0.4742283725906431
Energy: 0.0203727461372492
Energy: 0.4742283725936924
Energy: 0.4742283725921678
Energy: 0.0203727461372492
Energy: 0.4714654032209785
Energy: 0.024302158490881406
Energy: 0.47125685443902365
Energy: 0.4714654032209785
Energy: 0.024302158492405992
Energy: 0.4712568544435975
Energy: 0.47146540322250313
Energy: 0.024302158490881406
Energy: 0.4712568544405482
Energy: 0.4714654032209785
Energy: 1.6148662113028978
Energy: 0.020620917043962295
Energy: 0.020620917043962295
Energy: 1.8045250419585046
Energy: 0.02062091704548688
Energy: 0.02062091704548688
Energy: 1.6377866352280221
Energy: 0.02062091704548688
Energy: 0.020620917043962295
Energy: 0.9839364104907924

minimum gb energy = 0.0203727461372492 eV
minimum distance =  2.31787833334615 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.3874151874369298
Energy: 1.3426976092208955
Energy: 1.231185960948419
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Energy: 1.3874151874369298
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Energy: 1.333604999657517
Energy: 0.960741847870249
Energy: 1.3424225791744075
Energy: 1.0028807683569139
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Energy: 1.3874151874406644
Energy: 1.3426976092282965
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Energy: 1.3874151874369298
Energy: 1.342697609232031
Energy: 1.1570021939361186
Energy: 1.3874151874406644
Energy: 1.3426976092282965
Energy: 1.1570021939323842
Energy: 1.1455432132961323
Energy: 1.1799889612816528
Energy: 1.355416700553916
Energy: 1.1455432132961323
Energy: 1.1799889612816528
Energy: 1.355416700553916
Energy: 1.1455432132923977
Energy: 1.1799889612816528
Energy: 1.355416700553916
Energy: 1.1455432132961323
Energy: 1.0704618011039115
Energy: 1.2993895811395837
Energy: 1.3528550063128881
Energy: 1.0704618010964424
Energy: 1.2993998922623045
Energy: 1.3528550063166223
Energy: 1.0704618010964424
Energy: 1.2994011163306027
Energy: 1.3528550063016846
Energy: 1.070461801100177
Energy: 1.3426467676777891
Energy: 1.394806330825514
Energy: 1.0030210749459003
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Energy: 1.3948063308329832
Energy: 1.0030210749384316
Energy: 1.3426467676777891
Energy: 1.394806330825514
Energy: 1.0030210749459003
Energy: 1.3426467676777891

minimum gb energy = 0.9605895163351916 eV
minimum distance =  2.33139373662253 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.0685005023394238
Energy: 1.0681777153764473
Energy: 1.2460624386599088
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minimum gb energy = 1.0643657287380595 eV
minimum distance =  2.22821888738217 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.2483504648911152
Energy: 1.2660132707504976
Energy: 1.2631165818201893
Energy: 1.2483504648931711
Energy: 1.283759526704774
Energy: 1.3042465365829687
Energy: 1.3059616168865464
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Energy: 1.3042277268945972
Energy: 1.305961616890658
Energy: 1.2837595267088855
Energy: 1.3042465365850247
Energy: 1.3059616168844905
Energy: 1.2837595267068296
Energy: 1.3628767439213911
Energy: 1.3052985588532542
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Energy: 1.3053240626020415
Energy: 1.252051248667651
Energy: 1.3628767439213911
Energy: 1.3052985588532542
Energy: 1.252051248667651
Energy: 1.362876743923447
Energy: 1.2976654468321047
Energy: 1.315002520211786
Energy: 1.2282507297044563
Energy: 1.2976654468321047
Energy: 1.3150025202138416
Energy: 1.2282507297065122
Energy: 1.2976654468321047
Energy: 1.3150025202158975
Energy: 1.2282507297024006
Energy: 1.2976654468279931
Energy: 1.2286331657344645
Energy: 1.3827818310379514
Energy: 1.2569640605491819
Energy: 1.2286331657282972
Energy: 1.3826413526279067
Energy: 1.2569640605512375
Energy: 1.2286331657303529
Energy: 1.3827818310379514
Energy: 1.2569640605512375
Energy: 1.2286331657344645
Energy: 1.2151051137402658
Energy: 1.2301051279314275
Energy: 1.3107802506524397
Energy: 1.2151051137402658
Energy: 1.2296836926417514
Energy: 1.3107802506565513
Energy: 1.2151051137402658
Energy: 1.2301051279334831
Energy: 1.3107802506524397
Energy: 1.2151051137402658
Energy: 1.2529300786845003
Energy: 1.229136275246627
Energy: 1.363082339094612
Energy: 1.2529300786886117
Energy: 1.2292845211514438
Energy: 1.363082339094612
Energy: 1.2529300786886117
Energy: 1.2291362752486827
Energy: 1.363082339094612
Energy: 1.2529300786865563

minimum gb energy = 1.1768941953772574 eV
minimum distance =  2.28830062009945 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.1540613114253349
Energy: 1.2535199523791711
Energy: 1.253319260091051
Energy: 1.1540613114232174
Energy: 1.2535199523777594
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Energy: 1.1540613114260405
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Energy: 1.1538822150505659
Energy: 1.1734341714480367
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Energy: 1.1734341714487424
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Energy: 1.1538822150477432
Energy: 1.2434304586412175
Energy: 1.3213263993881998
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Energy: 1.2434304586405118
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Energy: 1.1733885387754857
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Energy: 1.2928740420009865
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Energy: 1.2532270008853128
Energy: 1.2928740420009865
Energy: 1.173388538774074
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Energy: 1.2436700659734472
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Energy: 1.2436700659727415
Energy: 1.2902627715944042
Energy: 1.2364899130638611
Energy: 1.2436700659720354
Energy: 1.29026277159511
Energy: 1.2364899130645668
Energy: 1.253127983952265
Energy: 1.1697975554580495
Energy: 1.1557878283268577
Energy: 1.2531279839515594
Energy: 1.1697975554587554
Energy: 1.1557878283247405
Energy: 1.2531279839515594
Energy: 1.1697975554573439
Energy: 1.1557878283275633
Energy: 1.2531279839515594
Energy: 1.2431692650648818
Energy: 1.13550452928743
Energy: 1.3214590688899952
Energy: 1.243169265062059
Energy: 1.1355045293565291
Energy: 1.3214590688864662
Energy: 1.2431692650648818
Energy: 1.135504529306421
Energy: 1.3214590688914067
Energy: 1.2431692650606474
Energy: 1.1539346230207008
Energy: 1.2120969570483358
Energy: 1.1735079102909847
Energy: 1.1539346230235241
Energy: 1.2120969570518647
Energy: 1.1735079102938075
Energy: 1.1539346230199952
Energy: 1.2120969570518647
Energy: 1.1735079102909847
Energy: 1.1539346230235241
Energy: 1.1540613114253349
Energy: 1.2535199523791711
Energy: 1.2533192600882281
Energy: 1.1540613114232174
Energy: 1.2535199523791711
Energy: 1.25331926008964
Energy: 1.1540613114253349
Energy: 1.2535199523777594
Energy: 1.253319260091051
Energy: 1.1540613114232174

minimum gb energy = 1.13550452928743 eV
minimum distance =  2.30609355040422 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.290532247124712
Energy: 1.1705525420971092
Energy: 1.1702539850303566
Energy: 1.2518738180685698
Energy: 1.1705525421053238
Energy: 1.1702539850276183
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Energy: 1.1206596560159487
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Energy: 1.1967032929570474
Energy: 1.0309564345029407
Energy: 1.1411626192254751
Energy: 1.1967032929570474
Energy: 1.030956434505679
Energy: 1.1411626192254751
Energy: 1.1967032929570474
Energy: 1.0309564344974647
Energy: 1.1411626192254751
Energy: 1.1967032929597854
Energy: 1.1361607986449564
Energy: 1.0453351338854895
Energy: 1.0489538046909872
Energy: 1.1361607986422184
Energy: 1.0453351338717982
Energy: 1.0488533918368959
Energy: 1.1361607986394802
Energy: 1.0453351338772745
Energy: 1.0489538046882492
Energy: 1.1361607986422184
Energy: 1.1333455577772045
Energy: 1.247587941446239
Energy: 1.0580167977574604
Energy: 1.1333455577772045
Energy: 1.2475879414489772
Energy: 1.0579733918133012
Energy: 1.1333455577772045
Energy: 1.2475879414435005
Energy: 1.0580167977601986
Energy: 1.1333455577854192
Energy: 1.070316073283909
Energy: 1.34134251251124
Energy: 1.0851207182500677
Energy: 1.0703160732866472
Energy: 1.34134251251124
Energy: 1.085120718252806
Energy: 1.0703160732893855
Energy: 1.3413425125085017
Energy: 1.0851207182473297
Energy: 1.070316073283909
Energy: 1.0752401512114746
Energy: 1.0622103662594675
Energy: 1.0619800658305214
Energy: 1.0752401512224277
Energy: 1.0622103662485147
Energy: 1.0619800658332597
Energy: 1.075240151216951
Energy: 1.062210366253991
Energy: 1.0619800658387364
Energy: 1.0752401512114746
Energy: 1.0650447573115835
Energy: 1.1335918060082264
Energy: 1.139006796139643
Energy: 1.0650447573115835
Energy: 1.1335918059973231
Energy: 1.1390067961505959
Energy: 1.0650447573143218
Energy: 1.1335918060137027
Energy: 1.139006796139643
Energy: 1.0650447573088453
Energy: 1.1828561866682124
Energy: 1.0384790318638468
Energy: 1.1290223301208815
Energy: 1.1828561866736886
Energy: 1.0384790318720614
Energy: 1.1290223301236197
Energy: 1.1828561866682124
Energy: 1.0384790318747996
Energy: 1.1290223301181432
Energy: 1.182856186676427
Energy: 1.1791395865053516
Energy: 1.1711505892821825
Energy: 1.2523724414971653
Energy: 1.1791395865108278
Energy: 1.1711505892821825
Energy: 1.2523724414999038
Energy: 1.1791395865080898
Energy: 1.1711505892849208
Energy: 1.252372441502642
Energy: 1.179139586513566
Energy: 1.0300600001930054
Energy: 1.239106591552079
Energy: 1.0987907742211862
Energy: 1.030060000190267
Energy: 1.2390711622762973
Energy: 1.0987907742211862
Energy: 1.0300600001930054
Energy: 1.239106591552079
Energy: 1.098790774218448
Energy: 1.0300600001930054
Energy: 1.0354447263426951
Energy: 1.0656022420359201
Energy: 1.0683121730523562
Energy: 1.0354447263426951
Energy: 1.065579479552213
Energy: 1.0682569387242113
Energy: 1.0354447263509097
Energy: 1.0656022420468731
Energy: 1.0683121730578324
Energy: 1.0354447263426951
Energy: 1.0460851399552995
Energy: 1.0697614678542442
Energy: 1.0583475028636156
Energy: 1.0460851399635143
Energy: 1.069757186874672
Energy: 1.058347502869092
Energy: 1.046085139960776
Energy: 1.0697614678542442
Energy: 1.058347502869092
Energy: 1.0460851399689908
Energy: 1.2416222620451918
Energy: 1.0636688468939142
Energy: 1.1268253916949964
Energy: 1.2416222620506683
Energy: 1.0636688705691846
Energy: 1.1268253916867816
Energy: 1.2416222620451918
Energy: 1.0636688468911761
Energy: 1.1268253916840434
Energy: 1.2416222620397153
Energy: 1.1044238175587255
Energy: 1.1790692273567727
Energy: 1.0498534869865062
Energy: 1.1044238175559873
Energy: 1.1790692273622494
Energy: 1.049853486983768
Energy: 1.10442381756694
Energy: 1.1790692273622494
Energy: 1.0498534869892444
Energy: 1.1044238175532488

minimum gb energy = 1.029914357589659 eV
minimum distance =  2.26421168133824 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.0067445346378607
Energy: 0.579146593339442
Energy: 0.5791532687208447
Energy: 0.6412129064966583
Energy: 0.5791465933420422
Energy: 0.579153268718599
Energy: 1.0067445346398112
Energy: 0.579146593340092
Energy: 0.5791532687198991
Energy: 0.6412129064970129
Energy: 0.8881095483831454
Energy: 0.5670711368422284
Energy: 0.6994124503709116
Energy: 0.8664808732957411
Energy: 0.5670711368412239
Energy: 0.8078538196123632
Energy: 0.8881095483857456
Energy: 0.5670711368363778
Energy: 0.6994124503728618
Energy: 0.8664808732941454
Energy: 0.6401119888418232
Energy: 0.6203007949894401
Energy: 0.8116422689358761
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Energy: 0.6203007949900902
Energy: 0.6390104987620256
Energy: 0.640111988840523
Energy: 0.6203007949897946
Energy: 0.8116422689449774
Energy: 0.8560205144693768
Energy: 0.9020980078942615
Energy: 0.5798374846649246
Energy: 0.8219248203545308
Energy: 0.9020980078916613
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Energy: 0.822053214940537
Energy: 0.9020980078949116
Energy: 0.5798374846668748
Energy: 0.8219248203600861
Energy: 0.9020980078959163
Energy: 0.579320507549865
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Energy: 0.6592822904332691
Energy: 0.5793205075479737
Energy: 0.5687128583549151
Energy: 0.7022238167790728
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Energy: 0.6592822904332691
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Energy: 0.9038884720581151
Energy: 0.7002873731421869
Energy: 0.7793713687843468
Energy: 0.903888472057465
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Energy: 0.7855566241103932
Energy: 0.9038884720633158
Energy: 0.7002873732058362
Energy: 0.7793713687781414
Energy: 0.9038884720607155
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Energy: 0.784964654269474
Energy: 0.9435322733870027
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Energy: 0.8214610007695361
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Energy: 0.7849646542711289
Energy: 0.9435322733776059
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Energy: 0.9007027439090066
Energy: 0.708662190721807
Energy: 0.6110349621249798
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Energy: 0.7574672227150582
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Energy: 0.9007027439100114
Energy: 0.7086621907117012
Energy: 0.6110349621220248
Energy: 0.9007027439113116
Energy: 0.6404089152784577
Energy: 0.8671594484595017
Energy: 0.5790652648580543
Energy: 0.6828940182825506
Energy: 0.8375141079520272
Energy: 0.5790652648567541
Energy: 0.6404089152784577
Energy: 0.8671594484559557
Energy: 0.5790652648603
Energy: 0.68289401827865
Energy: 0.7030367150356316
Energy: 0.6897525383427185
Energy: 0.5673084473504748
Energy: 0.5966500994244255
Energy: 0.6074468703712789
Energy: 0.5673084473520704
Energy: 0.7030367150401823
Energy: 0.6897525383508741
Energy: 0.567308447352425
Energy: 0.5966500994179246
Energy: 0.7666849839325548
Energy: 0.8749051619124685
Energy: 0.5693860307928601
Energy: 0.8027997138205213
Energy: 0.8749051619157189
Energy: 0.5693860307935101
Energy: 0.7666849839377556
Energy: 0.8749051619183192
Energy: 0.5693860307883095
Energy: 0.8027997138267267
Energy: 0.5435025384803072
Energy: 0.5791465933381417
Energy: 0.5791532687143439
Energy: 0.6502556511233525
Energy: 0.5791465933410966
Energy: 0.5791532687156441
Energy: 0.5435025384865125
Energy: 0.5791465933387918
Energy: 0.5791532687195446
Energy: 0.6502556511243571
Energy: 0.8043908415564965
Energy: 0.5670711368409282
Energy: 0.8462618106561608
Energy: 0.762025962280211
Energy: 0.5670711368441786
Energy: 0.6978902830667834
Energy: 0.8043908415535418
Energy: 0.5670711368396281
Energy: 0.8462618106594113
Energy: 0.7620259622759559
Energy: 0.7031039032084715
Energy: 0.6203007949907402
Energy: 0.6096887586283174
Energy: 0.5967224624494015
Energy: 0.6203007949913903
Energy: 0.6925030365273703
Energy: 0.7031039032094761
Energy: 0.6203007949910948
Energy: 0.6096887586283174
Energy: 0.5967224624487515
Energy: 0.9020980078936113
Energy: 0.5798374846649246
Energy: 0.8153223867379417
Energy: 0.9020980078942615
Energy: 0.5798374846642744
Energy: 0.7851075534636318
Energy: 0.902098007893966
Energy: 0.5798374846649246
Energy: 0.8153223867337455
Energy: 0.9020980078962116
Energy: 0.57932050755347
Energy: 0.5687128583562154
Energy: 0.7572236803314661
Energy: 0.5793205075466736
Energy: 0.5687128583539105
Energy: 0.7084276686570622
Energy: 0.5793205075447234
Energy: 0.5687128583549151
Energy: 0.75722368032662
Energy: 0.5793205075528199
Energy: 0.9038884720587652
Energy: 0.7927935899587607
Energy: 0.7855760907258145
Energy: 0.90388847206107
Energy: 0.696480166779163
Energy: 0.8585077872185988
Energy: 0.9038884720656206
Energy: 0.7927935899496595
Energy: 0.7855760907242189
Energy: 0.9038884720623702
Energy: 0.5786846807178916
Energy: 0.8576113433271808
Energy: 0.9435322733863527
Energy: 0.5786846807175369
Energy: 0.7849646542685286
Energy: 0.9435322733808563
Energy: 0.5786846807165914
Energy: 0.8576113433278308
Energy: 0.9435322733779015
Energy: 0.5786846807185417
Energy: 0.9007027439057563
Energy: 0.7021567727891642
Energy: 0.6110349621256298
Energy: 0.9007027439119616
Energy: 0.6595471113167082
Energy: 0.6110349621223794
Energy: 0.9007027439135572
Energy: 0.7021567727881596
Energy: 0.6110349621233251
Energy: 0.9007027439109568
Energy: 0.6590091269936208
Energy: 0.8747471710424759
Energy: 0.5790652648561041
Energy: 0.5888241125808696
Energy: 0.9103424772303886
Energy: 0.5790652648544493
Energy: 0.6590091269958664
Energy: 0.8747471710441306
Energy: 0.5790652648580543
Energy: 0.5888241125825243
Energy: 0.640202479901325
Energy: 0.6399732536790514
Energy: 0.5673084473491746
Energy: 0.8558703540063941
Energy: 0.8082196965265468
Energy: 0.5673084473501203
Energy: 0.6402024799065256
Energy: 0.6399732536813562
Energy: 0.5673084473537253
Energy: 0.8558703540073396
Energy: 0.911503547378456
Energy: 0.8749051619157189
Energy: 0.5693860307935101
Energy: 0.8797668095276597
Energy: 0.8749051619154233
Energy: 0.5693860307932146
Energy: 0.9115035473716004
Energy: 0.8749051619144187
Energy: 0.5693860307889596
Energy: 0.8797668095315603
Energy: 1.0067445346382153
Energy: 0.5791465933381417
Energy: 0.5791532687172988
Energy: 0.6412129064970129
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Energy: 0.5791532687143439
Energy: 1.006744534636265
Energy: 0.5791465933410966
Energy: 0.579153268718599
Energy: 0.6412129064970129
Energy: 0.8881095483847409
Energy: 0.5670711368399236
Energy: 0.6994124503715616
Energy: 0.8664808732970413
Energy: 0.5670711368412239
Energy: 0.8078538196140181
Energy: 0.888109548385391
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Energy: 0.6994124503728618
Energy: 0.8664808732905404
Energy: 0.6401119888414686
Energy: 0.6203007949894401
Energy: 0.8116422689384765
Energy: 0.856020514469022
Energy: 0.6203007949897946
Energy: 0.6390104987571203
Energy: 0.6401119888421186
Energy: 0.6203007949900902
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Energy: 0.8560205144680765
Energy: 0.9020980078942615
Energy: 0.5798374846655746
Energy: 0.8219248203532897
Energy: 0.902098007893966
Energy: 0.5798374846659293
Energy: 0.8220532149421326
Energy: 0.9020980078926658
Energy: 0.5798374846678795
Energy: 0.8219248203587859
Energy: 0.9020980078955616
Energy: 0.579320507549865
Energy: 0.5687128583565109
Energy: 0.6592822904322644
Energy: 0.5793205075473237
Energy: 0.5687128583562154
Energy: 0.7022238167823232
Energy: 0.5793205075489194
Energy: 0.5687128583552107
Energy: 0.6592822904335646
Energy: 0.5793205075515198
Energy: 0.9038884720552193
Energy: 0.7002873731639353
Energy: 0.7793713687865925
Energy: 0.9038884720581151
Energy: 0.7095194581847509
Energy: 0.7855566241093884
Energy: 0.9038884720639658
Energy: 0.7002873732279391
Energy: 0.7793713687804461
Energy: 0.9038884720620156
Energy: 0.5786846807159414
Energy: 0.7849646542675238
Energy: 0.9435322733876528
Energy: 0.5786846807175369
Energy: 0.8214610007672313
Energy: 0.9435322733857023
Energy: 0.5786846807155868
Energy: 0.7849646542743793
Energy: 0.9435322733805017
Energy: 0.5786846807178916
Energy: 0.900702743908061
Energy: 0.7086621907234028
Energy: 0.6110349621278757
Energy: 0.9007027439126117
Energy: 0.7574672227157084
Energy: 0.6110349621246252
Energy: 0.9007027439122571
Energy: 0.7086621907120557
Energy: 0.6110349621210792
Energy: 0.9007027439126117
Energy: 0.6404089152781031
Energy: 0.8671594484595017
Energy: 0.5790652648557495
Energy: 0.6828940182838508
Energy: 0.8375141079494269
Energy: 0.5790652648561041
Energy: 0.640408915280408
Energy: 0.8671594484582016
Energy: 0.5790652648593545
Energy: 0.6828940182815458
Energy: 0.7030367150362817
Energy: 0.6897525383430732
Energy: 0.5673084473498248
Energy: 0.59665009942478
Energy: 0.6074468703729337
Energy: 0.5673084473504748
Energy: 0.7030367150385275
Energy: 0.6897525383482738
Energy: 0.5673084473527206
Energy: 0.5966500994192248
Energy: 0.7666849839338551
Energy: 0.874905161912823
Energy: 0.5693860307941603
Energy: 0.8027997138228261
Energy: 0.8749051619137687
Energy: 0.5693860307951649
Energy: 0.7666849839338551
Energy: 0.8749051619170192
Energy: 0.5693860307902597
Energy: 0.8027997138234763

minimum gb energy = 0.5435025384803072 eV
minimum distance =  2.32251207159464 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.005728490887748
Energy: 1.05156264911362
Energy: 1.0507753067309173
Energy: 0.9802028631709541
Energy: 1.0515626491207577
Energy: 1.0507753067309173
Energy: 1.0057284908841793
Energy: 1.0515626491154044
Energy: 1.0507753067255645
Energy: 0.9802028631709541
Energy: 1.090744039391405
Energy: 0.9898782230315636
Energy: 1.039790605997698
Energy: 1.090744039391405
Energy: 0.9898782230315636
Energy: 1.039790605997698
Energy: 1.0907440393878363
Energy: 0.9898782230369166
Energy: 1.0397906060048356
Energy: 1.0907440393985102
Energy: 1.0423616119794576
Energy: 0.9333553313431958
Energy: 1.0157960222433862
Energy: 1.0002185331411437
Energy: 0.9333553313414115
Energy: 1.0157960222416018
Energy: 1.013854171065988
Energy: 0.9333553313378427
Energy: 1.0157960222398175
Energy: 0.995984739453851
Energy: 1.2052500345016766
Energy: 0.9787194277892466
Energy: 1.0027386885740726
Energy: 1.2052500345034611
Energy: 0.9787194277838934
Energy: 1.002738688575857
Energy: 1.2052500345016766
Energy: 0.9787194277838934
Energy: 1.0027386885776415
Energy: 1.2052500344981076
Energy: 1.1129412061593138
Energy: 1.0363827515837971
Energy: 0.9775540773493141
Energy: 1.112941206164667
Energy: 1.0363827515802282
Energy: 0.9775540773457454
Energy: 1.112941206164667
Energy: 1.0363827515837971
Energy: 0.9775540773457454
Energy: 1.1129412061610982
Energy: 1.026822476388996
Energy: 1.0893884714594493
Energy: 1.0708414742319823
Energy: 1.026822476388996
Energy: 1.0893884714594493
Energy: 1.0708414742408716
Energy: 1.0268224763872116
Energy: 1.0893884714576647
Energy: 1.0708414742373353
Energy: 1.0268224763907805
Energy: 0.9737698743932135
Energy: 1.0530672038068472
Energy: 1.1198317128529627
Energy: 0.9737663439376929
Energy: 1.0530672038032785
Energy: 1.1198317128511783
Energy: 0.9737698743914291
Energy: 1.0530672038032785
Energy: 1.1198317128493938
Energy: 0.9737663439412617
Energy: 1.0198057199442123
Energy: 0.9911905340099708
Energy: 0.991833753236105
Energy: 1.019805719947781
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Energy: 1.0198057199459967
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Energy: 1.05888055723931
Energy: 0.9313980095973994
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Energy: 1.0588805572410942
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Energy: 1.140967985453348
Energy: 1.0588805572410942
Energy: 0.9313980095991837
Energy: 1.1409679854551324
Energy: 1.05888055723931
Energy: 1.0582861898684617
Energy: 0.9902644608698253
Energy: 1.1089602646385794
Energy: 1.0582861898720304
Energy: 0.9902644608716097
Energy: 1.1089602646421484
Energy: 1.0582861898684617
Energy: 0.9902644608698253
Energy: 1.1089602646421484
Energy: 1.0582861898666773
Energy: 1.0515064395911065
Energy: 1.0592694633182658
Energy: 1.009156460734212
Energy: 1.0515064395804004
Energy: 1.0592694633129125
Energy: 1.0091568291212563
Energy: 1.0515064395839688
Energy: 1.0592694633164814
Energy: 1.009156460734212
Energy: 1.0515064395857532
Energy: 0.9914236497895886
Energy: 1.0728705270115035
Energy: 1.0849927612923589
Energy: 0.9914236497824511
Energy: 1.0724968435886701
Energy: 1.0852408295645188
Energy: 0.9914236497824511
Energy: 1.0728705270204255
Energy: 1.0849927612870056
Energy: 0.9914236497895886
Energy: 0.9760613962664904
Energy: 1.005731698706546
Energy: 1.0128405699703622
Energy: 0.976061396264706
Energy: 1.0057499432703512
Energy: 1.0128524014971152
Energy: 0.9760613962664904
Energy: 1.0057316987083307
Energy: 1.0128405699757155
Energy: 0.9760613962700591
Energy: 0.9845513899257639
Energy: 1.018755967957266
Energy: 1.0099345358834435
Energy: 0.9845513899257639
Energy: 1.018755967966188
Energy: 1.0099345358798746
Energy: 0.9845513899257639
Energy: 1.0187559679644034
Energy: 1.00993453587809
Energy: 0.9845513899239794
Energy: 1.0509618647086436
Energy: 0.9914679790182326
Energy: 1.0553497309860083
Energy: 1.0509618647157812
Energy: 0.9914679790271547
Energy: 1.055349730993146
Energy: 1.0509618647139967
Energy: 0.9914679790253703
Energy: 1.055349730993146
Energy: 1.0509618647032903
Energy: 1.0421880453324532
Energy: 1.0636081980973788
Energy: 0.989104596109223
Energy: 1.0421880453360222
Energy: 1.0636081980938101
Energy: 0.9891045961127916
Energy: 1.0421880453378067
Energy: 1.0636081980955945
Energy: 0.9891045961163603
Energy: 1.0421880453395909
Energy: 1.05917827900904
Energy: 1.1426961007260412
Energy: 0.9330028901598031
Energy: 1.0591782790108246
Energy: 1.1426961007242569
Energy: 0.9330028901580186
Energy: 1.0591782790108246
Energy: 1.1426961007278258
Energy: 0.9330028901598031
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Energy: 1.143971050207541
Energy: 1.065316158453462
Energy: 1.0560136757102594
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Energy: 1.0499058762290512
Energy: 1.0129401869084311
Energy: 1.0560136757084753
Energy: 1.0499058762272666
Energy: 1.012940186917353
Energy: 1.056013675712044
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Energy: 1.0912383780764472
Energy: 1.0114606270966613
Energy: 1.0517148035960708
Energy: 1.0912383780764472
Energy: 1.0114606270877393
Energy: 1.051714803588933
Energy: 1.091238378074663
Energy: 1.0114606270930926
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Energy: 1.0309055435567978
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Energy: 1.030905543558582
Energy: 0.973239130534253
Energy: 1.0010859444264284
Energy: 1.0309055435603667
Energy: 0.9732391305360375

minimum gb energy = 0.9313980095973994 eV
minimum distance =  2.25561196487525 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.1806075720655438
Energy: 1.3372720324572311
Energy: 1.3373010353518968
Energy: 1.1806075720655438
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Energy: 1.2355561377972695
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Energy: 1.2355561377984503
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Energy: 1.2208117430746863
Energy: 1.1802122503599957
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Energy: 1.324839296284643
Energy: 1.3150904734228985
Energy: 1.1797739289609872
Energy: 1.324839296284643
Energy: 1.3150904734252606
Energy: 1.1797739289598062
Energy: 1.3248392962834619
Energy: 1.3150904734240794
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Energy: 1.2813203043805366
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Energy: 1.3386110090875154
Energy: 1.2813203043793557
Energy: 1.2981759160623791
Energy: 1.3386110090875154
Energy: 1.2813203043805366
Energy: 1.29817591606356
Energy: 1.3386110090863346
Energy: 1.2813203043793557

minimum gb energy = 1.1797739289586253 eV
minimum distance =  2.28098118860971 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.4121209428419659
Energy: 1.3936913818583927
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Energy: 1.4178323311593357
Energy: 1.3856605004159148
Energy: 1.3956327572461396
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minimum gb energy = 1.35301657798376 eV
minimum distance =  2.23812250475038 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.369885142654894
Energy: 1.369160387089637
Energy: 1.3552454020917544
Energy: 1.3698851426575611
Energy: 1.3691603870923046
Energy: 1.3552454020944216
Energy: 1.3698851426522265
Energy: 1.369160387089637
Energy: 1.3552454020944216
Energy: 1.3698851426522265
Energy: 1.4567216698849836
Energy: 1.485913093482014
Energy: 1.3398266272086647
Energy: 1.4305567692897794
Energy: 1.485913093482014
Energy: 1.3398266272086647
Energy: 1.456721669887651
Energy: 1.4859130934767277
Energy: 1.3398266272113324
Energy: 1.430556769287112
Energy: 1.3928515858123667
Energy: 1.3941018640288434
Energy: 1.428666269766763
Energy: 1.3772558027276423
Energy: 1.3941018640235086
Energy: 1.4286662697640957
Energy: 1.3928515858123667
Energy: 1.3941018640235086
Energy: 1.4286662697640957
Energy: 1.3772558027276423
Energy: 1.434032375434105
Energy: 1.3397100192580844
Energy: 1.4145449477941037
Energy: 1.434032375434105
Energy: 1.3397100192634195
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Energy: 1.4340323754261026
Energy: 1.3397100192634195
Energy: 1.4145449477941037
Energy: 1.43403237542877
Energy: 1.3801568409402922
Energy: 1.3551919577971643
Energy: 1.3808211603876606
Energy: 1.3801568409402922
Energy: 1.355163892411262
Energy: 1.3808211603849931
Energy: 1.3801568409376246
Energy: 1.3551919577998317
Energy: 1.3808211603849931
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Energy: 1.4293270237687759
Energy: 1.354768774249114
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Energy: 1.354971888624106
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Energy: 1.4167505626790544
Energy: 1.3548587968676407
Energy: 1.3872891462700085
Energy: 1.416750562676387
Energy: 1.3548587968649732
Energy: 1.3872891462646737
Energy: 1.4167505626790544
Energy: 1.3548587968649732
Energy: 1.3872891462673411
Energy: 1.4167505626737193
Energy: 1.341015483424491
Energy: 1.4751698565083533
Energy: 1.443110786199935
Energy: 1.341015483424491
Energy: 1.4751698565030187
Energy: 1.4430777951933178
Energy: 1.341015483429826
Energy: 1.475169856500351
Energy: 1.44311078620527
Energy: 1.3410154834271584
Energy: 1.342574487553119
Energy: 1.3419373325422783
Energy: 1.4048833231339461
Energy: 1.3425744875504513
Energy: 1.3419373325396107
Energy: 1.4048833231312787
Energy: 1.3425744875477839
Energy: 1.3419373325369433
Energy: 1.4048833231286113
Energy: 1.3425744875504513
Energy: 1.4859996501019996
Energy: 1.4238707411681744
Energy: 1.3961335761808542
Energy: 1.4859996501019996
Energy: 1.3937082808487962
Energy: 1.3936816505764282
Energy: 1.4859996501019996
Energy: 1.4238707411628393
Energy: 1.3961335761835216
Energy: 1.4859996501019996
Energy: 1.3433823169901304
Energy: 1.4035316548875916
Energy: 1.387143242523763
Energy: 1.3433823169954653
Energy: 1.4035316548849242
Energy: 1.387143242523763
Energy: 1.3433823169927979
Energy: 1.403531654879589
Energy: 1.3871432425210954
Energy: 1.3433823169901304
Energy: 1.3429861598902124
Energy: 1.432790436619851
Energy: 1.3876256013074129
Energy: 1.3429861598902124
Energy: 1.432790436619851
Energy: 1.3876256013074129
Energy: 1.3429861598848776
Energy: 1.432790436619851
Energy: 1.3876256013047454
Energy: 1.3429861598848776
Energy: 1.4156058142060604
Energy: 1.3847826463960755
Energy: 1.3627595045878464
Energy: 1.4156058142060604
Energy: 1.3847826463934083
Energy: 1.3624601280988808
Energy: 1.4156058142060604
Energy: 1.3847826463987432
Energy: 1.3627595045825114
Energy: 1.4156058142060604
Energy: 1.4331601105043295
Energy: 1.5371297077000714
Energy: 1.3549117113814553
Energy: 1.4331601105017104
Energy: 1.5371297077000714
Energy: 1.3549117113787876
Energy: 1.433160110499043
Energy: 1.5371297076947366
Energy: 1.3549117113814553
Energy: 1.433160110499043

minimum gb energy = 1.3397100192580844 eV
minimum distance =  2.2295399808229 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.3579937302032297
Energy: 1.3592076833579738
Energy: 1.359365020043618
Energy: 1.3579937302017835
Energy: 1.3592076833594202
Energy: 1.3593650200494038
Energy: 1.3579937302032297
Energy: 1.3592076833599023
Energy: 1.3593650200479572
Energy: 1.3579937302027478
Energy: 1.3567520736897902
Energy: 1.3584840565597194
Energy: 1.3587383788008935
Energy: 1.3567520736883438
Energy: 1.3584840565573086
Energy: 1.3587383788008935
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Energy: 1.358484056559237
Energy: 1.3587383788004113
Energy: 1.356752073692683
Energy: 1.357203778933492
Energy: 1.3573798656442373
Energy: 1.4945749487906266
Energy: 1.3572037789354203
Energy: 1.357379865642791
Energy: 1.4945749487559583
Energy: 1.35720377893301
Energy: 1.3573798656456837
Energy: 1.4945749492537659
Energy: 1.3572037789354203
Energy: 1.4945909475871322
Energy: 1.3574667183521296
Energy: 1.3572267715579265
Energy: 1.4945909475707402
Energy: 1.3574667183506832
Energy: 1.357226771560819
Energy: 1.4945909475750794
Energy: 1.3574667183502014
Energy: 1.3572267715579265
Energy: 1.494590947566883
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Energy: 1.3582896625937988
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Energy: 1.3582896625947631
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Energy: 1.3582896625937988
Energy: 1.3566322082133706
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Energy: 1.3593650200503677
Energy: 1.3579937302032297
Energy: 1.3592076833613487
Energy: 1.3584840565573086
Energy: 1.3587383788037861
Energy: 1.3567520736912366
Energy: 1.3584840565597194
Energy: 1.3587383788008935
Energy: 1.356752073692683
Energy: 1.3584840565573086
Energy: 1.3587383788018577
Energy: 1.3567520736878615
Energy: 1.358484056559237
Energy: 1.3573798656442373
Energy: 1.4945749490190625
Energy: 1.35720377893301
Energy: 1.3573798656447194
Energy: 1.4945749489265399
Energy: 1.3572037789354203
Energy: 1.3573798656442373
Energy: 1.4945749488879707
Energy: 1.35720377893301
Energy: 1.3573798656442373
Energy: 1.3574667183521296
Energy: 1.357226771560819
Energy: 1.4945909475678474
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Energy: 1.3572267715579265
Energy: 1.4945909475639905
Energy: 1.357466718349719
Energy: 1.357226771560819
Energy: 1.4945909475688117
Energy: 1.3574667183506832
Energy: 1.3582896625952452
Energy: 1.356632208214335
Energy: 1.358916031673695
Energy: 1.3582896625937988
Energy: 1.3566322082128885
Energy: 1.3589160316712847
Energy: 1.3582896625947631
Energy: 1.3566322082133706
Energy: 1.3589160316708027
Energy: 1.3582896625937988
Energy: 1.3593650200484395
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Energy: 1.3592076833584559
Energy: 1.3593650200465108
Energy: 1.3579937302027478
Energy: 1.3592076833613487
Energy: 1.3593650200484395
Energy: 1.3587383787994471
Energy: 1.3567520736897902
Energy: 1.3584840565573086
Energy: 1.358738378803304
Energy: 1.3567520736917187
Energy: 1.358484056559237
Energy: 1.3587383788018577
Energy: 1.3567520736897902
Energy: 1.3584840565577907
Energy: 1.35873837880234
Energy: 1.4945749488566766
Energy: 1.3572037789354203
Energy: 1.357379865642791
Energy: 1.4945749489328073
Energy: 1.357203778933492
Energy: 1.3573798656447194
Energy: 1.4945749488788105
Energy: 1.3572037789359026
Energy: 1.357379865643273
Energy: 1.4945749489207545
Energy: 1.3572267715579265
Energy: 1.4945909475731507
Energy: 1.357466718344898
Energy: 1.357226771560819
Energy: 1.4945909475755612
Energy: 1.357466718349719
Energy: 1.3572267715579265
Energy: 1.494590947562062
Energy: 1.357466718349237
Energy: 1.357226771560819
Energy: 1.356632208216263
Energy: 1.3589160316688742
Energy: 1.3582896625947631
Energy: 1.356632208214335
Energy: 1.358916031673695
Energy: 1.3582896625937988
Energy: 1.3566322082110036
Energy: 1.358916031668392
Energy: 1.3582896625952452
Energy: 1.3566322082114857
Energy: 1.3579937302027478
Energy: 1.3592076833603846
Energy: 1.3593650200465108
Energy: 1.3579937302027478
Energy: 1.3592076833579738
Energy: 1.3593650200489216
Energy: 1.357993730203712
Energy: 1.3592076833613487
Energy: 1.3593650200479572
Energy: 1.3579937302027478
Energy: 1.3567520736907543
Energy: 1.358484056558755
Energy: 1.3587383787999292
Energy: 1.3567520736917187
Energy: 1.3584840565568266
Energy: 1.3587383788018577
Energy: 1.3567520736902723
Energy: 1.3584840565597194
Energy: 1.3587383787994471
Energy: 1.3567520736907543
Energy: 1.35720377893301
Energy: 1.3573798656447194
Energy: 1.4945749490855507
Energy: 1.3572037789354203
Energy: 1.357379865642791
Energy: 1.4945749493106117
Energy: 1.357203778933492
Energy: 1.3573798656442373
Energy: 1.4945749494768545
Energy: 1.3572037789354203
Energy: 1.494590947562544
Energy: 1.3574667183516476
Energy: 1.3572267715579265
Energy: 1.494590947558205
Energy: 1.3574667183516476
Energy: 1.357226771560819
Energy: 1.494590947545188
Energy: 1.3574667183477906
Energy: 1.3572267715579265
Energy: 1.494590947566883
Energy: 1.3589160316708027
Energy: 1.358289662594281
Energy: 1.3566322082133706
Energy: 1.3589160316693563
Energy: 1.3582896625947631
Energy: 1.356632208214817
Energy: 1.358916031668392
Energy: 1.3582896625937988
Energy: 1.356632208214335
Energy: 1.358916031668392
Energy: 1.3592076833570095
Energy: 1.3593650200469931
Energy: 1.357993730204676
Energy: 1.3592076833618307
Energy: 1.3593650200465108
Energy: 1.3579937302022658
Energy: 1.3592076833599023
Energy: 1.3593650200489216
Energy: 1.3579937302032297
Energy: 1.3592076833603846
Energy: 1.3584840565573086
Energy: 1.3587383788028218
Energy: 1.3567520736897902
Energy: 1.3584840565597194
Energy: 1.3587383788052325
Energy: 1.3567520736946115
Energy: 1.3584840565577907
Energy: 1.3587383788004113
Energy: 1.3567520736902723
Energy: 1.358484056558755

minimum gb energy = 1.3566322082110036 eV
minimum distance =  2.28595747615345 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.4278798837208853
Energy: 1.4198427853391011
Energy: 1.4206527763038033
Energy: 1.3834737915450932
Energy: 1.4198427853325448
Energy: 1.4206527763103596
Energy: 1.4278798837252165
Energy: 1.4198427853347302
Energy: 1.4206527763147305
Energy: 1.3834737915450932
Energy: 1.3525545981460867
Energy: 1.3538473846088004
Energy: 1.3339045116173738
Energy: 1.3525545981417157
Energy: 1.353847384606615
Energy: 1.3339045116151884
Energy: 1.3525545981417157
Energy: 1.3538473846088004
Energy: 1.3339045116151884
Energy: 1.352554598143901
Energy: 1.3918333053769196
Energy: 1.4141761077747503
Energy: 1.430481792908143
Energy: 1.3918333053703633
Energy: 1.4141761077747503
Energy: 1.4304817929016262
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Energy: 1.4304817929016262
Energy: 1.3918333053812906
Energy: 1.324346496101224
Energy: 1.4137523664310923
Energy: 1.3209279207038058
Energy: 1.3243464960946676
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Energy: 1.3243464961034095
Energy: 1.3320196168704541
Energy: 1.3536937493277406
Energy: 1.442067998116801
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Energy: 1.3892480482906098
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Energy: 1.3212509311932994
Energy: 1.3892480482927951
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Energy: 1.3464324047232374
Energy: 1.3421815797716332
Energy: 1.3661307003156133
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Energy: 1.3661307003090573
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Energy: 1.4432736031606042
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Energy: 1.3087418055519586
Energy: 1.4171848862865877
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Energy: 1.4503300373570578
Energy: 1.3195537638348909
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Energy: 1.450330037359243
Energy: 1.319603187357238
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Energy: 1.3195537638348909
Energy: 1.5898957296981793
Energy: 1.450330037354872
Energy: 1.4543349378319705
Energy: 1.3184425118836192
Energy: 1.399330861102127
Energy: 1.4543349378341563
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Energy: 1.322191122808157
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Energy: 1.3221911228103425
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Energy: 1.4824379405888264
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Energy: 1.3337951827564802
Energy: 1.3936778881091876
Energy: 1.4447367425223565
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Energy: 1.354153532564888
Energy: 1.5197370255509126
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Energy: 1.5197370255530984
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Energy: 1.3541535325627023
Energy: 1.5197370255552838
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Energy: 1.406788469639325
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Energy: 1.4067884696436959
Energy: 1.4151419620911496
Energy: 1.3751647583181374
Energy: 1.420858865500078
Energy: 1.4147405825321804
Energy: 1.3752844727728533
Energy: 1.420858865500078
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Energy: 1.3751647583246938
Energy: 1.4208588654978926
Energy: 1.4147405825278097
Energy: 1.3297239397721905
Energy: 1.385654115537206
Energy: 1.3055612886028056
Energy: 1.3297239397700051
Energy: 1.385654115541577
Energy: 1.3055612885984345
Energy: 1.3297239397678196
Energy: 1.3856541155459479
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Energy: 1.3297239397743759
Energy: 1.4027716140703579
Energy: 1.3896350597435818
Energy: 1.430902012342739
Energy: 1.4027716140746889
Energy: 1.3896350597413967
Energy: 1.4309020123405536
Energy: 1.4027716140790598
Energy: 1.3896350597457674
Energy: 1.430902012338368
Energy: 1.4027716140768745
Energy: 1.3468365281470396
Energy: 1.4391204056504117
Energy: 1.3317070208629644
Energy: 1.3468451422510765
Energy: 1.4391204056482263
Energy: 1.409606313926376
Energy: 1.3468365281470396
Energy: 1.4391204056460407
Energy: 1.3317070208607793
Energy: 1.3468451422510765
Energy: 1.4648611385910646
Energy: 1.3035514539789548
Energy: 1.4314163655131924
Energy: 1.464861138588879
Energy: 1.3035514539855109
Energy: 1.431416365511007
Energy: 1.4648611385932502
Energy: 1.3035514539876967
Energy: 1.4314163655153778
Energy: 1.4648611385910646
Energy: 1.4740245890040893
Energy: 1.4873386015302026
Energy: 1.5980416996063895
Energy: 1.4740245890062749
Energy: 1.4873386015193153
Energy: 1.5980416996042042
Energy: 1.4740245890062749
Energy: 1.4873386015215007
Energy: 1.5980416996042042
Energy: 1.4740245890040893
Energy: 1.4030258114357697
Energy: 1.318111837645835
Energy: 1.3744010779285232
Energy: 1.4016851625925522
Energy: 1.317790025267448
Energy: 1.3744010779241522
Energy: 1.4030258114357697
Energy: 1.3181118376480208
Energy: 1.3744010779263376
Energy: 1.401685162590367
Energy: 1.3440717955682722
Energy: 1.3192537547866834
Energy: 1.4008669869758725
Energy: 1.3440717955617156
Energy: 1.3192537547779413
Energy: 1.4008669869802433
Energy: 1.3440717955595303
Energy: 1.3192537547823122
Energy: 1.4008669869758725
Energy: 1.3440717955551593
Energy: 1.4384277509625785
Energy: 1.415938264764053
Energy: 1.339149094695146
Energy: 1.4384277509691348
Energy: 1.415938264764053
Energy: 1.33914839689845
Energy: 1.4384277509713201
Energy: 1.4159382647662384
Energy: 1.3391490946885898
Energy: 1.438427750964764
Energy: 1.3059758400389552
Energy: 1.4363185212180036
Energy: 1.4994474878828656
Energy: 1.3059758400389552
Energy: 1.4363185212158185
Energy: 1.4994474878894217
Energy: 1.30597584003677
Energy: 1.4363185212223746
Energy: 1.4994474878850512
Energy: 1.305975840032399
Energy: 1.427273097074976
Energy: 1.502673544166076
Energy: 1.3917668770095788
Energy: 1.3836117357446889
Energy: 1.5026735441551486
Energy: 1.3917668770095788
Energy: 1.427273097074976
Energy: 1.5026735441595196
Energy: 1.391766877016135
Energy: 1.3836117357468742
Energy: 1.4267159880978004
Energy: 1.413211351280236
Energy: 1.4808407140742599
Energy: 1.382913330755342
Energy: 1.4132113512824214
Energy: 1.4859045719526938
Energy: 1.4267159880956146
Energy: 1.4132113512824214
Energy: 1.4808407140786306
Energy: 1.3829133307597128
Energy: 1.307414607010349
Energy: 1.4372319960990185
Energy: 1.34143841269732
Energy: 1.3074146070081636
Energy: 1.4372319960968332
Energy: 1.3414384126995054
Energy: 1.3074146070081636
Energy: 1.4372319960924622
Energy: 1.3414384127016907
Energy: 1.3074146070059782
Energy: 1.3825199197577391
Energy: 1.3406742612177156
Energy: 1.4475311616120035
Energy: 1.38251991976211
Energy: 1.3406742612220865
Energy: 1.4475311616185598
Energy: 1.382519919755554
Energy: 1.3406742612220865
Energy: 1.4475311616185598
Energy: 1.3825199197577391
Energy: 1.3448280502572434
Energy: 1.5008532045795717
Energy: 1.3171004058140008
Energy: 1.3448280502572434
Energy: 1.5008532045817573
Energy: 1.3163691290121526
Energy: 1.3448280502506873
Energy: 1.5008532045861283
Energy: 1.317100405800888
Energy: 1.3448280502506873
Energy: 1.5511652455138256
Energy: 1.411835438396235
Energy: 1.3191144999669586
Energy: 1.551165245520382
Energy: 1.4118354383984202
Energy: 1.319114499958217
Energy: 1.5511652455181961
Energy: 1.411835438400606
Energy: 1.3191144999604025
Energy: 1.551165245516011
Energy: 1.3205447726219663
Energy: 1.5103137360603605
Energy: 1.3395452193585402
Energy: 1.3205447726066686
Energy: 1.5103137360516183
Energy: 1.3395452193607256
Energy: 1.32054477261541
Energy: 1.5103137360494332
Energy: 1.3395452193628712
Energy: 1.320544772619781
Energy: 1.312163312933922
Energy: 1.4037585337553686
Energy: 1.3054935533070406
Energy: 1.312163312933922
Energy: 1.4037585337509977
Energy: 1.3054935533092262
Energy: 1.312163312933922
Energy: 1.4037585337488123
Energy: 1.305493553304855
Energy: 1.3121633129317367
Energy: 1.3475319823509595
Energy: 1.4180974647010192
Energy: 1.441361386258056
Energy: 1.3475319823531449
Energy: 1.4180974646988336
Energy: 1.4413613862602415
Energy: 1.34753198235533
Energy: 1.4180974646966484
Energy: 1.4413613862646124
Energy: 1.3475319823531449
Energy: 1.499084696439721
Energy: 1.3896691650557087
Energy: 1.388564482483025
Energy: 1.4990846964419065
Energy: 1.368186400665515
Energy: 1.3672622961787186
Energy: 1.499084696439721
Energy: 1.3896691650578943
Energy: 1.3885644824808394
Energy: 1.499084696444092
Energy: 1.333538335966138
Energy: 1.3059299267068079
Energy: 1.4390893837206342
Energy: 1.333538335968323
Energy: 1.3059299267046225
Energy: 1.4390893837184489
Energy: 1.3335383359705086
Energy: 1.3059299267002515
Energy: 1.4390893837184489
Energy: 1.333538335966138
Energy: 1.4145601777983123
Energy: 1.4844468347131723
Energy: 1.4143771228866535
Energy: 1.414560177796127
Energy: 1.4844468347131723
Energy: 1.4143771228910245
Energy: 1.414560177796127
Energy: 1.484446834717543
Energy: 1.41437712289321
Energy: 1.4145601778004977
Energy: 1.4304404994722402
Energy: 1.3182921072993794
Energy: 1.4098427757940133
Energy: 1.4304404994678692
Energy: 1.3182924283404116
Energy: 1.409842775798384
Energy: 1.430440499465684
Energy: 1.3182921072950085
Energy: 1.4098427757961984
Energy: 1.4304404994700548
Energy: 1.3461676412854617
Energy: 1.3401302785069595
Energy: 1.4987606365861599
Energy: 1.3461676412854617
Energy: 1.3401302785135158
Energy: 1.4987606365883455
Energy: 1.3461676412854617
Energy: 1.3401302785157012
Energy: 1.4987606365927162
Energy: 1.3461676412854617
Energy: 1.3470699825370966
Energy: 1.396233523502233
Energy: 1.3369818427071778
Energy: 1.3470699825414674
Energy: 1.3962335235000478
Energy: 1.3369796940831338
Energy: 1.3470699825436527
Energy: 1.396233523502233
Energy: 1.3369818427093634
Energy: 1.3470699825414674
Energy: 1.3049933797136797
Energy: 1.3683228395717262
Energy: 1.3145910976762245
Energy: 1.304993379709309
Energy: 1.3683228395739115
Energy: 1.3145910976784099
Energy: 1.3049933797136797
Energy: 1.3683228395695406
Energy: 1.3145910976718533
Energy: 1.3049933797158653
Energy: 1.383823984724213
Energy: 1.5028535443230242
Energy: 1.3204279945112094
Energy: 1.3832688154998136
Energy: 1.5028535443186533
Energy: 1.3204279945068382
Energy: 1.3838239847220275
Energy: 1.502853544320839
Energy: 1.3204279945024673
Energy: 1.3832688155085555

minimum gb energy = 1.3035514539789548 eV
minimum distance =  2.21886904953185 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2657465452803773
Energy: 1.2861454460592276
Energy: 1.2739818850765583
Energy: 1.2657465452787848
Energy: 1.2861454460624127
Energy: 1.27398188507417
Energy: 1.2657465452803773
Energy: 1.2861454460584316
Energy: 1.2739818850765583
Energy: 1.2657465452787848
Energy: 1.3466690929650573
Energy: 1.242918877387875
Energy: 1.2586983160418843
Energy: 1.3466690929594842
Energy: 1.242918877387875
Energy: 1.2586983160434768
Energy: 1.3466690929626688
Energy: 1.2429188773886712
Energy: 1.2586983160418843
Energy: 1.3466690929610763
Energy: 1.405507167061914
Energy: 1.2306606246230145
Energy: 1.5355513211870475
Energy: 1.405507167061914
Energy: 1.230660624625403
Energy: 1.5355512865227514
Energy: 1.405507167061914
Energy: 1.2306606246230145
Energy: 1.5355513593561712
Energy: 1.405507167061914
Energy: 1.2896270461901322
Energy: 1.4078520864881527
Energy: 1.2932996302487751
Energy: 1.2896270461909285
Energy: 1.4078520864889488
Energy: 1.2932996302503676
Energy: 1.289627046189336
Energy: 1.4078520864889488
Energy: 1.2932996302487751
Energy: 1.2896270461917247
Energy: 1.2922615786735905
Energy: 1.2553864068224263
Energy: 1.439225629411759
Energy: 1.292261578676775
Energy: 1.2553864068208338
Energy: 1.4392256294093702
Energy: 1.2922615786743865
Energy: 1.2553864068224263
Energy: 1.439225629411759
Energy: 1.2922615786759788
Energy: 1.2916914100158083
Energy: 1.3398628487458109
Energy: 1.242911160894189
Energy: 1.2916914100134196
Energy: 1.3398628487474031
Energy: 1.242911160894985
Energy: 1.2916914100158083
Energy: 1.3398628487458109
Energy: 1.242911160894985
Energy: 1.2916914100142158
Energy: 1.375088217751522
Energy: 1.3474483299659128
Energy: 1.2306386476332567
Energy: 1.375088217750726
Energy: 1.2768252692763382
Energy: 1.2306386476348492
Energy: 1.3007517017553856
Energy: 1.276825269275542
Energy: 1.2306386476332567
Energy: 1.3007517017561818
Energy: 1.272860434527443
Energy: 1.4694326018588113
Energy: 1.2542848421690478
Energy: 1.2728604345226657
Energy: 1.4694326018588113
Energy: 1.2542848421698438
Energy: 1.2728604345210734
Energy: 1.4694326018588113
Energy: 1.2542848421698438
Energy: 1.2728604345226657
Energy: 1.535821487675297
Energy: 1.2551161754766251
Energy: 1.2554061404067578
Energy: 1.5358214876729082
Energy: 1.2551161754774214
Energy: 1.2554061404051655
Energy: 1.5358214876745007
Energy: 1.2551161754774214
Energy: 1.2554061404067578
Energy: 1.5358214876737044
Energy: 1.3778253832143759
Energy: 1.2917557183724893
Energy: 1.3966814096471876
Energy: 1.3778253832159681
Energy: 1.2917557183748778
Energy: 1.396681406131937
Energy: 1.3778253832143759
Energy: 1.2917557183732855
Energy: 1.3966814080332386
Energy: 1.3778253832159681
Energy: 1.3640879280931992
Energy: 1.3626929559626784
Energy: 1.289367063604011
Energy: 1.3640879280931992
Energy: 1.362692955965067
Energy: 1.28936706360003
Energy: 1.3640879280931992
Energy: 1.3626929559634746
Energy: 1.289367063604011
Energy: 1.3640879280931992
Energy: 1.2916453783488784
Energy: 1.2463502299434313
Energy: 1.2466585457302082
Energy: 1.2916453783496744
Energy: 1.2463502299434313
Energy: 1.246658545732597
Energy: 1.2916453783496744
Energy: 1.2463502299442275
Energy: 1.2466585457302082
Energy: 1.2916453783480821
Energy: 1.2550779211505971
Energy: 1.5076057155249143
Energy: 1.2555370492076328
Energy: 1.2550779211505971
Energy: 1.5076057155249143
Energy: 1.2555370492076328
Energy: 1.2550779211505971
Energy: 1.5076057155257108
Energy: 1.2555370492076328
Energy: 1.2550779211505971
Energy: 1.2684496304415482
Energy: 1.266532826421193
Energy: 1.292671955671232
Energy: 1.268449630440752
Energy: 1.2665328264235816
Energy: 1.2926719556720283
Energy: 1.268449630440752
Energy: 1.2665328264219895
Energy: 1.292671955671232
Energy: 1.2684496304415482

minimum gb energy = 1.2306386476332567 eV
minimum distance =  2.25017469680624 Angstroms
sigma value = 33