Model name: model_name=Sim_LAMMPS_EAM_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553245961666107
cohesive_energy=4.122759316666127
mass=55.845
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: 0.015643616714864444
Energy: 0.5026690540571124
Energy: 0.015643616714864444
Energy: 0.5026690540579334
Energy: 0.015643616715252082
Energy: 0.5026690540575229
Energy: 0.015643616714864444
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747695122185
Energy: 0.4143903934768074
Energy: 0.5478983280438611
Energy: 0.4143903934763969
Energy: 0.5478983280783605
Energy: 0.4143903934768074
Energy: 0.5478983280077425
Energy: 0.41439039347719503
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747694711746
Energy: 0.5596083437205482
Energy: 0.016472747694711746
Energy: 0.015643616715252082
Energy: 0.5026690540575229
Energy: 0.015643616715252082
Energy: 0.5026690540575229
Energy: 0.015643616715252082
Energy: 0.5026690540575229
Energy: 0.015643616714864444
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747694711746
Energy: 0.5596083437209358
Energy: 0.016472747695122185
Energy: 0.5596083437209358
Energy: 0.016472747695122185

minimum gb energy = 0.015643616714864444 eV
minimum distance =  2.46848319763324 Angstroms
sigma value = 5


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

Energy: 1.2708896559302763
Energy: 1.6735498782142835
Energy: 1.270889655931747
Energy: 1.6735498782137932
Energy: 1.2708896559312568
Energy: 1.6735498782142835
Energy: 1.2708896559307665
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Energy: 1.2121312401467854
Energy: 1.1972293620595529
Energy: 1.2121312401462951
Energy: 1.1972293620595529
Energy: 1.2121312401458049
Energy: 1.1972293620595529
Energy: 1.286566620129989
Energy: 1.2927459466934095
Energy: 1.2865666201285182
Energy: 1.2927459466929192
Energy: 1.2865666201285182
Energy: 1.2927459466934095
Energy: 1.286566620129989
Energy: 1.2151000772198697
Energy: 1.267250118037195
Energy: 1.2151000772198697
Energy: 1.267250118037195
Energy: 1.2151000772198697
Energy: 1.2672501180362143
Energy: 1.2151000772198697
Energy: 1.2034092258406555
Energy: 1.256046921050125
Energy: 1.203409225841146
Energy: 1.256046921050125
Energy: 1.2034092258401654
Energy: 1.256046921050125
Energy: 1.2034092258406555
Energy: 1.177652673676318
Energy: 1.2268559322706771
Energy: 1.1776526736758275
Energy: 1.2268559322692063
Energy: 1.177652673676318
Energy: 1.2268559322696966
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Energy: 1.1900754363780466
Energy: 1.2387090408036046
Energy: 1.1900754363780466
Energy: 1.2387090408040948
Energy: 1.1900754363780466
Energy: 1.2387090408036046
Energy: 1.1900754363780466

minimum gb energy = 1.1427501454493536 eV
minimum distance =  2.26354364825544 Angstroms
sigma value = 401


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

Energy: 1.3532296294358555
Energy: 1.330646583521031
Energy: 1.353229629434793
Energy: 1.330646583521031
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Energy: 1.291032761479248
Energy: 1.311130308296548
Energy: 1.2853041681361612
Energy: 1.314294998437114
Energy: 1.29103276119886
Energy: 1.2188434906756462
Energy: 1.3105966670510052
Energy: 1.218892947380448
Energy: 1.3105966670504485
Energy: 1.2188434906767593
Energy: 1.3105966670515616
Energy: 1.2188929473810044
Energy: 1.2297634334966572
Energy: 1.338952446070529
Energy: 1.2369396911461017
Energy: 1.3389524460699727
Energy: 1.229763433495544
Energy: 1.338952446070529
Energy: 1.236939691145545
Energy: 1.1941002000044474
Energy: 1.2307960140669498
Energy: 1.1941002000044474
Energy: 1.2307960140675063
Energy: 1.1941002000044474
Energy: 1.2307960140669498
Energy: 1.1941002000044474
Energy: 1.1909882385998865
Energy: 1.2186727921411373
Energy: 1.2550258648052424
Energy: 1.2186727921400242
Energy: 1.1909882385993298
Energy: 1.2186727921400242
Energy: 1.255025864805799
Energy: 1.268133864324491
Energy: 1.3306465835204746
Energy: 1.353229629435299
Energy: 1.3306465835204746
Energy: 1.268133864324491
Energy: 1.3306465835204746
Energy: 1.353229629435299
Energy: 1.1917939907974544
Energy: 1.2703783032503453
Energy: 1.2551970978572082
Energy: 1.2712447682087744
Energy: 1.1917939907974544
Energy: 1.2703783032509017
Energy: 1.2551970978572082

minimum gb energy = 1.1909882385993298 eV
minimum distance =  2.2413477876615 Angstroms
sigma value = 311


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

Energy: 1.2672160186969683
Energy: 1.3606429260714767
Energy: 1.213194976718276
Energy: 1.2601939434833982
Energy: 1.2672160186969683
Energy: 1.3606429260714767
Energy: 1.213194976718276
Energy: 1.2320977937387125
Energy: 1.1950056236831963
Energy: 1.2035264002819581
Energy: 1.192171339100122
Energy: 1.2320977937387125
Energy: 1.1950056236831963
Energy: 1.2035264002819581
Energy: 1.1989007607134936
Energy: 1.2271939465445176
Energy: 1.1990460595954968
Energy: 1.227794361330315
Energy: 1.1989007607134936
Energy: 1.227193946543875
Energy: 1.1990460595954968
Energy: 1.2393931730017231
Energy: 1.301841135521205
Energy: 1.262202832910773
Energy: 1.301841135521205
Energy: 1.2393931730023657
Energy: 1.301841135521205
Energy: 1.2622028329101305
Energy: 1.3068691416554674
Energy: 1.3520478634968498
Energy: 1.303925465021467
Energy: 1.3520478634968498
Energy: 1.3068691416554674
Energy: 1.3520478634968498
Energy: 1.303925465021467
Energy: 1.2274527684510559
Energy: 1.382130609276225
Energy: 1.2274527684504133
Energy: 1.3820664549279114
Energy: 1.2274527684504133
Energy: 1.382130609276225
Energy: 1.2274527684504133
Energy: 1.2377021712851712
Energy: 1.3728675080408237
Energy: 1.2377021712845286
Energy: 1.3717337344699059
Energy: 1.2377021712845286
Energy: 1.3728675080408237
Energy: 1.2377021712851712
Energy: 1.313459178455794
Energy: 1.317828105253
Energy: 1.3134591784564367
Energy: 1.3178281052523573
Energy: 1.3134591784564367
Energy: 1.317828105253
Energy: 1.3134591784564367
Energy: 1.2625340892387722
Energy: 1.3127996757087061
Energy: 1.2625340892394148
Energy: 1.3127996757080636
Energy: 1.2625340892387722
Energy: 1.3127996757080636
Energy: 1.2625340892387722
Energy: 1.1688259272172954
Energy: 1.2815677226372155
Energy: 1.1688759829864652
Energy: 1.2815627508065162
Energy: 1.1688259272172954
Energy: 1.2815677226372155
Energy: 1.1688759829851798
Energy: 1.1872052524671972
Energy: 1.2850824984693003
Energy: 1.1873726030630303
Energy: 1.2848489031845378
Energy: 1.1872052524671972
Energy: 1.2850824984693003
Energy: 1.1873726030630303
Energy: 1.336149381219514
Energy: 1.3507980447785017
Energy: 1.336149381219514
Energy: 1.3507980447791443
Energy: 1.336149381219514
Energy: 1.3507980447791443
Energy: 1.336149381219514
Energy: 1.288980883962441
Energy: 1.3083459484552984
Energy: 1.2889808839617984
Energy: 1.3083459484552984
Energy: 1.2889808839611558
Energy: 1.308345948455941
Energy: 1.2889808839617984
Energy: 1.2182788131645939
Energy: 1.2643736849371723
Energy: 1.2182788131645939
Energy: 1.2643736849371723
Energy: 1.2182788131645939
Energy: 1.2643736849371723
Energy: 1.2182788131645939
Energy: 1.3567763464734535
Energy: 1.229787764794838
Energy: 1.276884003628887
Energy: 1.2296492979472735
Energy: 1.3567763464695977
Energy: 1.229787764794838
Energy: 1.2768840036282447
Energy: 1.2782252513086563
Energy: 1.305307012288141
Energy: 1.2128678169366063
Energy: 1.3053070122887838
Energy: 1.2782252513086563
Energy: 1.3053070122887838
Energy: 1.2128678169359635
Energy: 1.1846070841251013
Energy: 1.244723285515242
Energy: 1.2020446469903159
Energy: 1.2464888749397294
Energy: 1.1846070841251013
Energy: 1.244723285515242
Energy: 1.2020446469903159
Energy: 1.1851308479299165
Energy: 1.2425331156788262
Energy: 1.185202699675722
Energy: 1.2347525495218317
Energy: 1.185130847929274
Energy: 1.2425331156781838
Energy: 1.185202699675079
Energy: 1.3444960600403926
Energy: 1.4071234369998087
Energy: 1.3385417942289375
Energy: 1.3511087368425105
Energy: 1.3385417942289375
Energy: 1.4071234369998087
Energy: 1.3385417942289375
Energy: 1.2641361622821259
Energy: 1.3576043942272062
Energy: 1.2641361622827687
Energy: 1.340457453566677
Energy: 1.2641361622821259
Energy: 1.3576043942272062
Energy: 1.2641361622821259
Energy: 1.2421560803386327
Energy: 1.2402895046603604
Energy: 1.2421560803386327
Energy: 1.2402895046603604
Energy: 1.24215608033799
Energy: 1.2402895046603604
Energy: 1.2421560803386327
Energy: 1.2584025798709604
Energy: 1.3109412527503665
Energy: 1.2584025798709604
Energy: 1.3109412527503665
Energy: 1.2584025798703176
Energy: 1.310941252751009
Energy: 1.2584025798709604
Energy: 1.3712589714041814
Energy: 1.284167788813682
Energy: 1.3198387578002428
Energy: 1.2580682340571754
Energy: 1.3308075836799507
Energy: 1.2841677888143246
Energy: 1.27961196430983
Energy: 1.3188350650270115
Energy: 1.3359644678340479
Energy: 1.278695611740964
Energy: 1.2963005583518479
Energy: 1.3188350650270115
Energy: 1.3359644678340479
Energy: 1.278695611740964
Energy: 1.1962556482193147
Energy: 1.286324281057283
Energy: 1.1977495560055873
Energy: 1.286424132554792
Energy: 1.1962556482193147
Energy: 1.286324281057283
Energy: 1.1977495560055873
Energy: 1.3125596168479767
Energy: 1.366825240364736
Energy: 1.3126136160579047
Energy: 1.361821273525239
Energy: 1.3125596168479767
Energy: 1.366825240364736
Energy: 1.3126136160579047
Energy: 1.3100389638515737
Energy: 1.3155028196574985
Energy: 1.311573535168778
Energy: 1.3155028196581409
Energy: 1.3540910641006756
Energy: 1.3155028196581409
Energy: 1.3558664577000097
Energy: 1.3057069284469043
Energy: 1.381658722114509
Energy: 1.3057069284475469
Energy: 1.3994002398866368
Energy: 1.3057069284475469
Energy: 1.381658722114509
Energy: 1.3057069284475469
Energy: 1.2422941232385254
Energy: 1.2419092045470566
Energy: 1.2422941232385254
Energy: 1.2419092045470566
Energy: 1.2422941232385254
Energy: 1.2419092045470566
Energy: 1.2422941232385254
Energy: 1.2615942736546386
Energy: 1.3524249857046053
Energy: 1.2615942736546386
Energy: 1.3524249857046053
Energy: 1.2615942736546386
Energy: 1.352424985705248
Energy: 1.2615942736546386
Energy: 1.3102423318918759
Energy: 1.305596832123887
Energy: 1.3102423318918759
Energy: 1.305596832123887
Energy: 1.3102423318918759
Energy: 1.305596832123887
Energy: 1.3102423318918759
Energy: 1.170931016020744
Energy: 1.2745007609726706
Energy: 1.170677358391357
Energy: 1.2749185355848625
Energy: 1.1709310160213866
Energy: 1.2745007609720285
Energy: 1.170677358391357
Energy: 1.1913489056457942
Energy: 1.206423598498304
Energy: 1.1913335407868673
Energy: 1.206402310536387
Energy: 1.1913489056457942
Energy: 1.206423598498304
Energy: 1.1913335407862247
Energy: 1.3131608200051308
Energy: 1.3502094189924292
Energy: 1.3131608200051308
Energy: 1.3502094189930716
Energy: 1.3131608200051308
Energy: 1.3502094189930716
Energy: 1.3131608200051308
Energy: 1.3746275228197822
Energy: 1.3906080767236748
Energy: 1.3681455814498655
Energy: 1.3843071821693202
Energy: 1.3746275228197822
Energy: 1.3906080767236748
Energy: 1.3681455814498655
Energy: 1.213691822614879
Energy: 1.2670544833383794
Energy: 1.213691822614879
Energy: 1.2670544833383794
Energy: 1.213691822614879
Energy: 1.2670544833383794
Energy: 1.213691822614879

minimum gb energy = 1.1688259272172954 eV
minimum distance =  2.22343496829523 Angstroms
sigma value = 39


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

Energy: 1.1941193149879372
Energy: 1.2188306914319396
Energy: 1.1941193149886957
Energy: 1.2188306914319396
Energy: 1.1941193149886957
Energy: 1.2188306914319396
Energy: 1.1941193149879372
Energy: 1.2363868980463617
Energy: 1.1230846001820056
Energy: 1.2363868980456034
Energy: 1.1230846001820056
Energy: 1.2363868980463617
Energy: 1.1230846001820056
Energy: 1.2363868980456034
Energy: 1.1869630633054007
Energy: 1.1397248608735393
Energy: 1.1869630633054007
Energy: 1.1397248608742978
Energy: 1.1869630633054007
Energy: 1.1397248608735393
Energy: 1.1869630633054007
Energy: 1.2377967432640946
Energy: 1.1370506209208666
Energy: 1.2377967432656114
Energy: 1.1370506209208666
Energy: 1.2377967432625778
Energy: 1.1370506209208666
Energy: 1.2377967432625778
Energy: 1.2403453513783365
Energy: 1.1230502588133775
Energy: 1.240345351379095
Energy: 1.1230502588133775
Energy: 1.240345351377578
Energy: 1.1230502588133775
Energy: 1.240345351379095
Energy: 1.2403325551027462
Energy: 1.1231676618848359
Energy: 1.2403325551027462
Energy: 1.1231676618855944
Energy: 1.2403325551027462
Energy: 1.1231676618855944
Energy: 1.2403325551027462
Energy: 1.2373476861757153
Energy: 1.1410984185910966
Energy: 1.2373476861757153
Energy: 1.1410984185910966
Energy: 1.2373476861704067
Energy: 1.1410984185910966
Energy: 1.237347686172682
Energy: 1.2172874447991056
Energy: 1.1382731039296452
Energy: 1.2172874447991056
Energy: 1.1382731039288867
Energy: 1.2172874447991056
Energy: 1.1382731039304035
Energy: 1.2172874447991056
Energy: 1.262454061034661
Energy: 1.123102211391045
Energy: 1.262454061034661
Energy: 1.1231022113902867
Energy: 1.262454061034661
Energy: 1.1231022113902867
Energy: 1.2624540610339026
Energy: 1.1935287167397464
Energy: 1.219550514507829
Energy: 1.1935287167397464
Energy: 1.219550514507829
Energy: 1.1935287167405046
Energy: 1.2195505145085872
Energy: 1.1935287167397464
Energy: 1.2366441924285396
Energy: 1.1392950723968924
Energy: 1.2366441924292984
Energy: 1.1392950723961341
Energy: 1.2366441924285396
Energy: 1.139295072397651
Energy: 1.283401885949679
Energy: 1.2009784056384278
Energy: 1.138235206267419
Energy: 1.2009784056384278
Energy: 1.138235206267419
Energy: 1.2009784056384278
Energy: 1.138235206267419
Energy: 1.2009784056384278
Energy: 1.3056640529028496
Energy: 1.1307089215105783
Energy: 1.3056640529028496
Energy: 1.1307089215105783
Energy: 1.3056640529028496
Energy: 1.1307089215105783
Energy: 1.3056640529028496
Energy: 1.2009985856699024
Energy: 1.1385062001902486
Energy: 1.2009985856699024
Energy: 1.1385062001902486
Energy: 1.2009985856699024
Energy: 1.1385062001902486
Energy: 1.2009985856699024
Energy: 1.234571419844957
Energy: 1.204460205454738
Energy: 1.2345714198464737
Energy: 1.204460205454738
Energy: 1.234571419844957
Energy: 1.204460205454738
Energy: 1.234571419844957
Energy: 1.2009365337660909
Energy: 1.1384306127187276
Energy: 1.2009365337668494
Energy: 1.1384306127194859
Energy: 1.2009365337660909
Energy: 1.1384306127187276
Energy: 1.2009365337668494
Energy: 1.3057168537180182
Energy: 1.1306657694059579
Energy: 1.3057168537165016
Energy: 1.1306657694059579
Energy: 1.3057168537165016
Energy: 1.1306657694059579
Energy: 1.3057168537165016
Energy: 1.2009142720187764
Energy: 1.1382057163513013
Energy: 1.2009142720187764
Energy: 1.1382057163513013
Energy: 1.2009142720187764
Energy: 1.1382057163505426
Energy: 1.2009142720180181
Energy: 1.1953311186183502
Energy: 1.1420605289291632
Energy: 1.1953311186191087
Energy: 1.1420605289276464
Energy: 1.195331118619867
Energy: 1.1420605289291632
Energy: 1.1953311186183502
Energy: 1.1935122506001026
Energy: 1.2195767564207303
Energy: 1.1935122506001026
Energy: 1.2195767564207303
Energy: 1.1935122506001026
Energy: 1.2195767564207303
Energy: 1.1935122506001026
Energy: 1.262851332066185
Energy: 1.1230356973859783
Energy: 1.262851332067702
Energy: 1.1230356973859783
Energy: 1.262851332067702
Energy: 1.1230356973859783
Energy: 1.2628513320669434
Energy: 1.2171345550674413
Energy: 1.1382539734660715
Energy: 1.2171345550674413
Energy: 1.1382539734668298
Energy: 1.2171345550674413
Energy: 1.1382539734668298
Energy: 1.2171345550674413
Energy: 1.1994203682294604
Energy: 1.1415641118793993
Energy: 1.1994203682287021
Energy: 1.1415641118793993
Energy: 1.1994203682279436
Energy: 1.1415641118793993
Energy: 1.1994203682279436
Energy: 1.240313162989766
Energy: 1.1231556150315867
Energy: 1.2403131629905244
Energy: 1.1231556150315867
Energy: 1.240313162989766
Energy: 1.1231556150315867
Energy: 1.2403131629905244
Energy: 1.2401282821532889
Energy: 1.123046849651191
Energy: 1.2401282821548059
Energy: 1.123046849651191
Energy: 1.2401282821532889
Energy: 1.123046849651191
Energy: 1.2401282821548059
Energy: 1.2370909876733887
Energy: 1.1370953351062578
Energy: 1.2370909876726301
Energy: 1.1370953351062578
Energy: 1.2370909876718716
Energy: 1.1370953351054993
Energy: 1.2370909876726301
Energy: 1.187053163909202
Energy: 1.139796870786494
Energy: 1.187053163909202
Energy: 1.139796870786494
Energy: 1.187053163909202
Energy: 1.139796870786494
Energy: 1.187053163909202
Energy: 1.236330747583711
Energy: 1.1230819860778867
Energy: 1.236330747583711
Energy: 1.1230819860778867
Energy: 1.2363307475829528
Energy: 1.1230819860778867
Energy: 1.2363307475844696
Energy: 1.1941193149886957
Energy: 1.2188306914319396
Energy: 1.1941193149886957
Energy: 1.218830691431181
Energy: 1.1941193149886957
Energy: 1.2188306914319396
Energy: 1.1941193149879372
Energy: 1.2363868980463617
Energy: 1.1230846001820056
Energy: 1.2363868980456034
Energy: 1.1230846001820056
Energy: 1.2363868980463617
Energy: 1.1230846001820056
Energy: 1.2363868980463617

minimum gb energy = 1.1230356973859783 eV
minimum distance =  2.23506553830207 Angstroms
sigma value = 21


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

Energy: 1.248009483019484
Energy: 1.2769524307932834
Energy: 1.248009483019484
Energy: 1.2769524307932834
Energy: 1.248009483019484
Energy: 1.2769524307932834
Energy: 1.248009483019484
Energy: 1.1217064440859592
Energy: 1.0925368411999246
Energy: 1.1217064440868798
Energy: 1.0925368411999246
Energy: 1.1217064440868798
Energy: 1.0925368411999246
Energy: 1.1217064440859592
Energy: 1.261134506519453
Energy: 1.1620673817000218
Energy: 1.261134506519453
Energy: 1.1620673817000218
Energy: 1.261134506519453
Energy: 1.1620673817009215
Energy: 1.261134506519453
Energy: 1.1236040601386463
Energy: 1.0950478457060808
Energy: 1.1236040601386463
Energy: 1.0950478457060808
Energy: 1.1236040601395458
Energy: 1.0950478457060808
Energy: 1.1236040601395458
Energy: 1.054042279750414
Energy: 1.1381293425252954
Energy: 1.054042279750414
Energy: 1.1381293425252954
Energy: 1.0540422797494933
Energy: 1.1381293425252954
Energy: 1.054042279750414
Energy: 1.0678261482440663
Energy: 1.0987674553428644
Energy: 1.0678261482440663
Energy: 1.0987674553428644
Energy: 1.0678261482440663
Energy: 1.0987674553428644
Energy: 1.0678261482440663
Energy: 1.0706931650776184
Energy: 1.156041392446825
Energy: 1.0706931650776184
Energy: 1.156041392446825
Energy: 1.0706931650776184
Energy: 1.156041392446825
Energy: 1.0706931650776184
Energy: 1.067838021856744
Energy: 1.081669059908709
Energy: 1.0678380218558234
Energy: 1.081669059908709
Energy: 1.067838021856744
Energy: 1.081669059908709
Energy: 1.067838021856744
Energy: 1.1153405725523704
Energy: 1.081771555505354
Energy: 1.1153405725523704
Energy: 1.081771555505354
Energy: 1.1153405725523704
Energy: 1.081771555505354
Energy: 1.1153405725523704
Energy: 1.0713776372264003
Energy: 1.1360670395032781
Energy: 1.0713776372264003
Energy: 1.136067039499595
Energy: 1.0713776372264003
Energy: 1.136067039496833
Energy: 1.0713776372264003
Energy: 1.0603113300192635
Energy: 1.1013914674552776
Energy: 1.0603113300201845
Energy: 1.1013914674561982
Energy: 1.0603113300201845
Energy: 1.1013914674543568
Energy: 1.0603113300201845
Energy: 1.053349728162473
Energy: 1.1293202004154537
Energy: 1.053349728162473
Energy: 1.1293202004154537
Energy: 1.053349728162473
Energy: 1.1293202004154537
Energy: 1.053349728162473
Energy: 1.106806872726807
Energy: 1.0854487429638213
Energy: 1.106806872726807
Energy: 1.0854487429638213
Energy: 1.106806872726807
Energy: 1.0854487429638213
Energy: 1.106806872726807
Energy: 1.1631146709029683
Energy: 1.1625460386775492
Energy: 1.1631146709029683
Energy: 1.1625460386757078
Energy: 1.1631146709029683
Energy: 1.1625460386775492
Energy: 1.1631146709029683
Energy: 1.119928725360908
Energy: 1.100568940043113
Energy: 1.119928725360908
Energy: 1.100568940043113
Energy: 1.119928725360908
Energy: 1.100568940043113
Energy: 1.119928725360908
Energy: 1.2388957280999577
Energy: 1.212057745775207
Energy: 1.2388957280999577
Energy: 1.2120577457761277
Energy: 1.2388957280999577
Energy: 1.2120577457761277
Energy: 1.2388957280999577
Energy: 1.145370047661277
Energy: 1.1058383735984267
Energy: 1.1453700476621977
Energy: 1.105838373601189
Energy: 1.1453700476621977
Energy: 1.1058383735993476
Energy: 1.1453700476621977
Energy: 1.1631319964487088
Energy: 1.1623915958344602
Energy: 1.1631319964487088
Energy: 1.1623915958363016
Energy: 1.1631319964487088
Energy: 1.1623915958363016
Energy: 1.1631319964496294
Energy: 1.1436010631480094
Energy: 1.100664132134658
Energy: 1.1436010631480094
Energy: 1.1006641321337374
Energy: 1.1436010631480094
Energy: 1.1006641321337374
Energy: 1.1436010631480094
Energy: 1.0533354170945053
Energy: 1.093248398527529
Energy: 1.0533354170945053
Energy: 1.093248398527529
Energy: 1.0533354170945053
Energy: 1.093248398527529
Energy: 1.0533354170945053
Energy: 1.1053616023677777
Energy: 1.170579733538351
Energy: 1.1053616023677777
Energy: 1.170579733538351
Energy: 1.1053616023677777
Energy: 1.170579733538351
Energy: 1.1053616023677777
Energy: 1.0748676567895883
Energy: 1.156681556177846
Energy: 1.0748676567895883
Energy: 1.156681556177846
Energy: 1.0748676567895883
Energy: 1.156681556177846
Energy: 1.0748676567895883
Energy: 1.1008831118963551
Energy: 1.1006483332414592
Energy: 1.1008831118963551
Energy: 1.1006483332414592
Energy: 1.1008831118963551
Energy: 1.1006483332414592
Energy: 1.1008831118963551
Energy: 1.1177493910453495
Energy: 1.0921909423442
Energy: 1.1177493910453495
Energy: 1.0921909423442
Energy: 1.1177493910453495
Energy: 1.0921909423442
Energy: 1.1177493910453495
Energy: 1.1008821908302355
Energy: 1.1559460758709061
Energy: 1.1008821908302355
Energy: 1.1559460758709061
Energy: 1.1008821908302355
Energy: 1.1559460758709061
Energy: 1.1008821908302355

minimum gb energy = 1.0533354170945053 eV
minimum distance =  2.28116261130582 Angstroms
sigma value = 113


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

Energy: 1.052424910776306
Energy: 1.1025078337490741
Energy: 1.052424910776306
Energy: 1.102507833753652
Energy: 1.0524249107773336
Energy: 1.102507833749588
Energy: 1.0524249107768198
Energy: 1.0149989406133852
Energy: 0.9570471752102321
Energy: 1.0149989406133852
Energy: 0.9570471752102321
Energy: 1.014998940613899
Energy: 0.9570471752097183
Energy: 1.0149989406133852
Energy: 1.0285164443952741
Energy: 0.9936267963261628
Energy: 1.0285164443952741
Energy: 0.9936267963277042
Energy: 1.028516444395788
Energy: 0.9936267963277042
Energy: 1.028516444395788
Energy: 0.9720247793017991
Energy: 0.970991162679678
Energy: 0.972024779302313
Energy: 0.9709911626801917
Energy: 0.9720247793017991
Energy: 0.970991162679678
Energy: 0.9720247793017991
Energy: 0.9897642963511375
Energy: 1.027900434604178
Energy: 0.9897642963511375
Energy: 1.0279004346185652
Energy: 0.9897642963501098
Energy: 1.0279004346046918
Energy: 0.9897642963506237
Energy: 0.9650563931894585
Energy: 0.9558451576749734
Energy: 0.9650563931894585
Energy: 0.9558451576754873
Energy: 0.9650563931894585
Energy: 0.9558451576744595
Energy: 0.9650563931889445
Energy: 0.9805134134982229
Energy: 0.9810065225820274
Energy: 0.9805134134982229
Energy: 0.9810065225779168
Energy: 0.9805134134977092
Energy: 0.9810065225784305
Energy: 0.9805134134982229
Energy: 0.9680460242540877
Energy: 0.9391542989961472
Energy: 0.9680460242535738
Energy: 0.9391542989966611
Energy: 0.9680460242540877
Energy: 0.9391542989966611
Energy: 0.9680460242535738
Energy: 0.9601925844975839
Energy: 0.9720683298678456
Energy: 0.9601925844986114
Energy: 0.9720683298663042
Energy: 0.9601925844970699
Energy: 0.972068329866818
Energy: 0.9601925845001531
Energy: 0.9728024589501112
Energy: 0.9223768968278246
Energy: 0.9728024589506251
Energy: 0.9223768968278246
Energy: 0.9728024589506251
Energy: 0.9223768968283383
Energy: 0.9728024589506251
Energy: 0.9519173068377534
Energy: 0.9390613861124031
Energy: 0.9519173068377534
Energy: 0.9390613861129168
Energy: 0.9519173068372397
Energy: 0.9390613861124031
Energy: 0.9519173068377534
Energy: 0.9868841021501035
Energy: 0.9508640387113543
Energy: 0.9868841021495897
Energy: 0.9508640387113543
Energy: 0.9868841021490758
Energy: 0.9508640387113543
Energy: 0.9868841021490758
Energy: 0.9015513011115652
Energy: 0.987955573718333
Energy: 0.901551301112079
Energy: 0.9879555737198744
Energy: 0.901551301112079
Energy: 0.9879555737188469
Energy: 0.9015513011115652
Energy: 0.9537416041830896
Energy: 0.9210504628987972
Energy: 0.9537416041830896
Energy: 0.921050462895714
Energy: 0.9537416041830896
Energy: 0.9210504628998248
Energy: 0.9537416041825758
Energy: 0.9409225397539718
Energy: 0.9123895018399357
Energy: 0.9409225397539718
Energy: 0.9123895018378804
Energy: 0.9409225397539718
Energy: 0.9123895018373667
Energy: 0.9409225397539718
Energy: 1.006659538081761
Energy: 0.9901866384477432
Energy: 1.0066595380827887
Energy: 0.9901866384446604
Energy: 1.0066595380822747
Energy: 0.9901866384472295
Energy: 1.0066595380827887
Energy: 0.9010177735629992
Energy: 0.9205617866618794
Energy: 0.901017773563513
Energy: 0.9205617866623931
Energy: 0.9010177735609438
Energy: 0.9205617866623931
Energy: 0.9010177735599162
Energy: 0.9650980538333278
Energy: 0.9367189330070944
Energy: 0.9650980538338415
Energy: 0.9367189330070944
Energy: 0.9650980538338415
Energy: 0.9367189330070944
Energy: 0.9650980538343553
Energy: 0.9544145251334211
Energy: 0.9148375429696408
Energy: 0.9544145251339351
Energy: 0.914837542969127
Energy: 0.9544145251339351
Energy: 0.914837542969127
Energy: 0.9544145251329074
Energy: 0.9599851827102477
Energy: 0.9980116955500683
Energy: 0.9599851827097338
Energy: 0.9980116955505823
Energy: 0.9599851827102477
Energy: 0.9980116955500683
Energy: 0.9599851827097338
Energy: 0.9554126307715373
Energy: 0.9204286786953694
Energy: 0.9554126307761616
Energy: 0.9204286786953694
Energy: 0.955412630772051
Energy: 0.9204286786953694
Energy: 0.955412630775134
Energy: 0.9865003025116821
Energy: 0.956569822384609
Energy: 0.9865003025116821
Energy: 0.9565698223851229
Energy: 0.9865003025116821
Energy: 0.956569822384609
Energy: 0.9865003025116821
Energy: 0.9597253729700093
Energy: 0.9744831299045468
Energy: 0.9597253729684676
Energy: 0.9744831299050605
Energy: 0.9597253729684676
Energy: 0.9744831299055744
Energy: 0.9597253729684676
Energy: 0.9623409280276988
Energy: 1.023901469989136
Energy: 0.9623409280271848
Energy: 1.023901469995816
Energy: 0.9623409280266709
Energy: 1.0239014699983382
Energy: 0.9623409280276988
Energy: 0.9446372313509348
Energy: 0.9682572393093577
Energy: 0.9446372313550455
Energy: 0.968257239308844
Energy: 0.9446372313540179
Energy: 0.968257239308844
Energy: 0.9446372313488794
Energy: 1.0199110105224272
Energy: 0.9644319154616381
Energy: 1.0199110105213993
Energy: 0.9644319154611244
Energy: 1.019911010522941
Energy: 0.9644319154595828
Energy: 1.0199110105234546
Energy: 1.0189845952446894
Energy: 0.9568623838788995
Energy: 1.0189845952441756
Energy: 0.956862383868623
Energy: 1.0189845952441756
Energy: 0.9568623838763305
Energy: 1.0189845952441756
Energy: 1.0413383751714989
Energy: 1.0679221863750947
Energy: 1.0413383751709848
Energy: 1.0679221864316166
Energy: 1.0413383751709848
Energy: 1.0679221865466684
Energy: 1.0413383751709848
Energy: 1.0776247047983603
Energy: 0.9576923541418725
Energy: 1.0776247048214824
Energy: 0.9576923541423862
Energy: 1.077624704810692
Energy: 0.9576923541418725
Energy: 1.0776247047973324
Energy: 1.0095705008096487
Energy: 0.9643200755550049
Energy: 1.0095705008101625
Energy: 0.964320075554491
Energy: 1.009570500811704
Energy: 0.964320075554491
Energy: 1.0095705008111902
Energy: 0.977189560575987
Energy: 1.1129343051775302
Energy: 0.9771895605754733
Energy: 1.112934305178044
Energy: 0.977189560575987
Energy: 1.1129343051770166
Energy: 0.977189560575987
Energy: 0.9632799906649644
Energy: 0.9978333320384536
Energy: 0.963279990663423
Energy: 0.9978333319295677
Energy: 0.9632799906623953
Energy: 0.997833331894627
Energy: 0.9632799906623953
Energy: 1.0403634987954864
Energy: 0.955015209855513
Energy: 1.0403634987944586
Energy: 0.9550152098544852
Energy: 1.0403634987944586
Energy: 0.9550152098549991
Energy: 1.0403634987960002
Energy: 0.9717017372056862
Energy: 0.9626322833333413
Energy: 0.9717017372051724
Energy: 0.9626322833333413
Energy: 0.9717017372056862
Energy: 0.9626322833328275
Energy: 0.9717017372051724
Energy: 0.9702258635370649
Energy: 1.058382076455477
Energy: 0.9702258635370649
Energy: 1.0583820764549632
Energy: 0.9702258635375788
Energy: 1.0583820764549632
Energy: 0.9702258635370649
Energy: 0.9347568665218369
Energy: 0.9901693274352751
Energy: 0.9347568665223508
Energy: 0.9901693274352751
Energy: 0.9347568665233784
Energy: 0.9901693274357888
Energy: 0.9347568665223508
Energy: 0.9405141534687412
Energy: 0.9211435118903838
Energy: 0.9405141534687412
Energy: 0.9211435118903838
Energy: 0.9405141534677135
Energy: 0.9211435118903838
Energy: 0.9405141534687412
Energy: 0.9605382450908254
Energy: 0.9180529739950888
Energy: 0.9605382450903117
Energy: 0.9180529739940612
Energy: 0.9605382450903117
Energy: 0.9180529739950888
Energy: 0.9605382450903117
Energy: 0.9473136971366483
Energy: 0.9693583742556007
Energy: 0.9473136971371621
Energy: 0.9693583742556007
Energy: 0.9473136971366483
Energy: 0.969358374255087
Energy: 0.9473136971371621
Energy: 0.9013731453541128
Energy: 1.002150828172657
Energy: 0.901373145353599
Energy: 1.002150828177795
Energy: 0.9013731453541128
Energy: 1.0021508281716291
Energy: 0.9013731453541128
Energy: 0.9405843105224883
Energy: 0.9199303625425914
Energy: 0.9405843105224883
Energy: 0.9199303625415636
Energy: 0.9405843105224883
Energy: 0.9199303625425914
Energy: 0.9405843105224883
Energy: 0.9454290856637344
Energy: 0.9125284425700216
Energy: 0.9454290856637344
Energy: 0.9125284425700216
Energy: 0.9454290856632204
Energy: 0.9125284425700216
Energy: 0.9454290856627066
Energy: 0.9332992598479699
Energy: 0.9881131404072664
Energy: 0.9332992598495112
Energy: 0.9881131404046971
Energy: 0.9332992598495112
Energy: 0.9881131404036696
Energy: 0.9332992598484836
Energy: 0.9021958431767824
Energy: 0.9195865073608178
Energy: 0.9021958431772962
Energy: 0.9195865073613315
Energy: 0.9021958431762687
Energy: 0.9195865073613315
Energy: 0.9021958431778102
Energy: 0.9322099178485392
Energy: 0.9342878285055194
Energy: 0.9322099178485392
Energy: 0.9342878285050055
Energy: 0.9322099178485392
Energy: 0.9342878285055194
Energy: 0.9322099178485392

minimum gb energy = 0.9010177735599162 eV
minimum distance =  2.26929403901799 Angstroms
sigma value = 365


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

Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 2.586074576590969
Energy: 1.0606793008394066
Energy: 2.586068576693444
Energy: 1.0606793008417235
Energy: 2.5860666020516234
Energy: 1.0606793008394066
Energy: 2.586062294135625
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 2.5860789992890716
Energy: 1.0606793008394066
Energy: 2.5860859762494814
Energy: 1.0606793008394066
Energy: 2.586085233312117
Energy: 1.0606793008394066
Energy: 2.586084872039507
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 1.9293522043364983
Energy: 1.060679300840565
Energy: 1.9293528099746848
Energy: 1.0606793008394066
Energy: 1.9293530449339586
Energy: 1.0606793008394066
Energy: 1.9293528922601633
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 1.929353014239147
Energy: 1.0606793008394066
Energy: 1.9293533976409178
Energy: 1.0606793008394066
Energy: 1.929353659729501
Energy: 1.0606793008394066
Energy: 1.9293537323550438
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 1.9293516349885058
Energy: 1.0606793008394066
Energy: 1.9293517244280265
Energy: 1.0606793008394066
Energy: 1.9293521323571101
Energy: 1.0606793008394066
Energy: 1.929352182313894
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 1.8959632337257173
Energy: 1.0606793008394066
Energy: 1.895967320126705
Energy: 1.0606793008394066
Energy: 1.895968808934604
Energy: 1.0606793008394066
Energy: 1.8959744635803168
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 1.8959793663987923
Energy: 1.0606793008394066
Energy: 1.8959803233612913
Energy: 1.0606793008394066
Energy: 1.8959810252051266
Energy: 1.0606793008394066
Energy: 1.8959865287878366
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 1.8959616651984228
Energy: 1.0606793008394066
Energy: 1.8959651544504403
Energy: 1.0606793008394066
Energy: 1.8959661126751546
Energy: 1.0606793008394066
Energy: 1.8959660014145032
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121038429
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 1.8959895025174378
Energy: 1.0606793008394066
Energy: 1.8959897062793207
Energy: 1.0606793008394066
Energy: 1.895994643266561
Energy: 1.0606793008394066
Energy: 1.8959940614817554
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 0.3225677121026844
Energy: 0.39984004269297446
Energy: 1.8959922499981763
Energy: 1.0606793008394066
Energy: 1.8959966560420691
Energy: 1.0606793008394066
Energy: 1.8959983680047077
Energy: 1.0606793008394066
Energy: 1.8959982772080017

minimum gb energy = 0.3225677121026844 eV
minimum distance =  2.2554273057675 Angstroms
sigma value = 23