Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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=2.855312466621399
cohesive_energy=4.013297947344727
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: 0.015230514977074963
Energy: 0.4985076498175045
Energy: 0.01523051497666452
Energy: 0.49850764981791496
Energy: 0.01523051497666452
Energy: 0.49850764981791496
Energy: 0.01523051497666452
Energy: 0.016159835237936408
Energy: 0.5890572808163778
Energy: 0.016159835238346847
Energy: 0.5890572808163778
Energy: 0.016159835237936408
Energy: 0.5890572808163778
Energy: 0.016159835238346847
Energy: 0.417873212511693
Energy: 0.5311516899549061
Energy: 0.4178732125100969
Energy: 0.5311516994952731
Energy: 0.41787321251210346
Energy: 0.5311516950634414
Energy: 0.41787321251128257
Energy: 0.016159835237936408
Energy: 0.5890572808167881
Energy: 0.016159835237936408
Energy: 0.5890572808159901
Energy: 0.016159835237936408
Energy: 0.5890572808159901
Energy: 0.016159835237936408
Energy: 0.015230514977074963
Energy: 0.49850764981791496
Energy: 0.01523051497666452
Energy: 0.4985076498175045
Energy: 0.015230514977074963
Energy: 0.4985076498175045
Energy: 0.01523051497666452
Energy: 0.016159835237936408
Energy: 0.5890572808171985
Energy: 0.016159835237936408
Energy: 0.5890572808159901
Energy: 0.016159835237525965
Energy: 0.5890572808159901
Energy: 0.016159835237525965

minimum gb energy = 0.01523051497666452 eV
minimum distance =  2.46832705793696 Angstroms
sigma value = 5


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

Energy: 1.2780352890045354
Energy: 1.6806650148955617
Energy: 1.278035289005516
Energy: 1.6806650148955617
Energy: 1.2780352890050257
Energy: 1.680665014896052
Energy: 1.2780352890045354
Energy: 1.2528844976057938
Energy: 1.2160286704885945
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Energy: 1.2160286704881045
Energy: 1.252884497604323
Energy: 1.216028670487614
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Energy: 1.177606668607596
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Energy: 1.206549516286494
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Energy: 1.1736606747671559
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Energy: 1.1607536219390977
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Energy: 1.1586224183134537
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Energy: 1.1586224183119829
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Energy: 1.1586224183129634
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Energy: 1.2532901285094507
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Energy: 1.192873966253704
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Energy: 1.2784068102671249
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Energy: 1.2694428387187155
Energy: 1.2607194865507174
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Energy: 1.1747408234581491
Energy: 1.1685164452535308
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Energy: 1.2031082416216883
Energy: 1.3089291457179828
Energy: 1.203108241621198
Energy: 1.308929145718473
Energy: 1.2031082416202175
Energy: 1.3089291457174925
Energy: 1.2199122339604531
Energy: 1.2230325982667565
Energy: 1.2199122339609436
Energy: 1.223032598265776
Energy: 1.219912233959963
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Energy: 1.2199122339609436
Energy: 1.2564423999450718
Energy: 1.305367395784615
Energy: 1.2564423999450718
Energy: 1.3053673957851053
Energy: 1.2564423999445815
Energy: 1.3053673957851053
Energy: 1.2564423999445815
Energy: 1.1833066314114342
Energy: 1.266702141121902
Energy: 1.1833066314114342
Energy: 1.2667021411223922
Energy: 1.1833066314109437
Energy: 1.266702141121902
Energy: 1.1833066314114342
Energy: 1.1828954651639574
Energy: 1.2700672591195377
Energy: 1.1828954651649377
Energy: 1.2700672591190472
Energy: 1.1828954651644474
Energy: 1.2700672591190472
Energy: 1.1828954651639574
Energy: 1.1737308333340915
Energy: 1.2374573628300831
Energy: 1.1737308333340915
Energy: 1.2374573628300831
Energy: 1.1737308333340915
Energy: 1.2374573628300831
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Energy: 1.2002708396659612
Energy: 1.240025891965546
Energy: 1.200270839664
Energy: 1.240025891967017
Energy: 1.2002708396649808
Energy: 1.240025891965546
Energy: 1.2002708396635098

minimum gb energy = 1.152825798505452 eV
minimum distance =  2.25875017561405 Angstroms
sigma value = 401


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

Energy: 1.359752897614943
Energy: 1.313740881558152
Energy: 1.273156298477452
Energy: 1.313740881558152
Energy: 1.359752897616056
Energy: 1.313740881558152
Energy: 1.2731562984785652
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Energy: 1.2011581721633569
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Energy: 1.2180064710681144
Energy: 1.3210315386251266
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Energy: 1.3208485617347687
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Energy: 1.2841424233506742
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Energy: 1.3520437705727404
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Energy: 1.2710327384104478
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Energy: 1.351672746655344
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Energy: 1.2828613560937547
Energy: 1.3499262027699939
Energy: 1.2826630017434035
Energy: 1.3494346094097318
Energy: 1.2828613560931985
Energy: 1.3499262027705505
Energy: 1.2826630017428469
Energy: 1.2710635814242293
Energy: 1.3516199785334337
Energy: 1.2709336446870636
Energy: 1.3521977700146102
Energy: 1.2710635814247857
Energy: 1.3516199785334337
Energy: 1.2709336446870636
Energy: 1.2185348007382033
Energy: 1.320710145346633
Energy: 1.2182797571036466
Energy: 1.320710145346633
Energy: 1.2185348007382033
Energy: 1.320710145346633
Energy: 1.2182797571030903
Energy: 1.2403779280052287
Energy: 1.3490246250453684
Energy: 1.2403768650323315
Energy: 1.3490246250453684
Energy: 1.2403779280052287
Energy: 1.3490246250458742
Energy: 1.2403768650323315
Energy: 1.2049601036268345
Energy: 1.2438988574973473
Energy: 1.2049601036268345
Energy: 1.2438988574973473
Energy: 1.2049601036268345
Energy: 1.2438988574973473
Energy: 1.2049601036268345
Energy: 1.2011581721633569
Energy: 1.2292898821412166
Energy: 1.2011581721633569
Energy: 1.2292898821417735
Energy: 1.2011581721633569
Energy: 1.2292898821406604
Energy: 1.2011581721628004
Energy: 1.2731562984780087
Energy: 1.313740881557595
Energy: 1.2731562984763392
Energy: 1.313740881557595
Energy: 1.2731562984791218
Energy: 1.3137408815587082
Energy: 1.2731562984813478
Energy: 1.1991935334215946
Energy: 1.2287374366674193
Energy: 1.1991935334215946
Energy: 1.2287120365374735
Energy: 1.1991935334215946
Energy: 1.2287374366674193
Energy: 1.1991935334210382

minimum gb energy = 1.1991935334210382 eV
minimum distance =  2.2790839088984 Angstroms
sigma value = 311


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

Energy: 1.2672655085473392
Energy: 1.2657326529028041
Energy: 1.2222170960202934
Energy: 1.3360222292324513
Energy: 1.2672655085473392
Energy: 1.2657326529028041
Energy: 1.2222170960202934
Energy: 1.2032987345173227
Energy: 1.2084308905455936
Energy: 1.216975558122853
Energy: 1.2765976013792517
Energy: 1.2032987345173227
Energy: 1.2084308905455936
Energy: 1.2169755581209252
Energy: 1.1889678770243919
Energy: 1.2382296174121012
Energy: 1.1896501029698556
Energy: 1.3306194041777353
Energy: 1.1889678770237493
Energy: 1.2382296174121012
Energy: 1.1896501029698556
Energy: 1.3541900134401708
Energy: 1.3160541059745652
Energy: 1.3457851090548587
Energy: 1.316054105973952
Energy: 1.354190013439528
Energy: 1.316054105973952
Energy: 1.345785109054216
Energy: 1.3301362022952645
Energy: 1.3273757506719894
Energy: 1.3300968282460428
Energy: 1.3273757506719894
Energy: 1.3301362022959067
Energy: 1.3273757506719894
Energy: 1.3300968282460428
Energy: 1.2060131186245144
Energy: 1.3125848209194737
Energy: 1.206013118623872
Energy: 1.3125848209201163
Energy: 1.206013118623872
Energy: 1.3125848209194737
Energy: 1.206013118623872
Energy: 1.2135237996597743
Energy: 1.3072931818410356
Energy: 1.2135237996591317
Energy: 1.307293181840393
Energy: 1.2135237996597743
Energy: 1.3072931818410356
Energy: 1.2135237996597743
Energy: 1.2970165960680033
Energy: 1.2782381358674506
Energy: 1.2970165960680033
Energy: 1.2782381358674506
Energy: 1.2970165960680033
Energy: 1.2782381358674506
Energy: 1.2970165960673607
Energy: 1.2738169156798842
Energy: 1.2834811232109575
Energy: 1.2738169156798842
Energy: 1.2834811232103152
Energy: 1.2738169156798842
Energy: 1.2834811232109575
Energy: 1.2738169156805268
Energy: 1.1833732315323515
Energy: 1.3392102877192837
Energy: 1.1833149755991335
Energy: 1.3392109465062032
Energy: 1.1833732315323515
Energy: 1.3392102877192837
Energy: 1.183314975599776
Energy: 1.189370138323267
Energy: 1.3444026816587342
Energy: 1.1893650931675115
Energy: 1.3445176030621186
Energy: 1.189370138323267
Energy: 1.3444026816587342
Energy: 1.1893650931675115
Energy: 1.324000057850616
Energy: 1.3576934523271773
Energy: 1.324000057850616
Energy: 1.3575316512271312
Energy: 1.324000057850616
Energy: 1.3576934523271773
Energy: 1.324000057849973
Energy: 1.2567950250045687
Energy: 1.3139536064424917
Energy: 1.2567950250045687
Energy: 1.3139536064412067
Energy: 1.2567950250045687
Energy: 1.3139536064418493
Energy: 1.2567950250045687
Energy: 1.187634542773362
Energy: 1.2254225390570765
Energy: 1.187634542773362
Energy: 1.2254225390570765
Energy: 1.187634542773362
Energy: 1.2254225390570765
Energy: 1.187634542773362
Energy: 1.2466482212122745
Energy: 1.3103600495935341
Energy: 1.2466482211782444
Energy: 1.3103600495935341
Energy: 1.2466482211955956
Energy: 1.3103600495928915
Energy: 1.246648221184028
Energy: 1.2161944968349105
Energy: 1.317109352742346
Energy: 1.2161944968355531
Energy: 1.317109352742346
Energy: 1.2161944968355531
Energy: 1.317109352742989
Energy: 1.2161944968355531
Energy: 1.273868971945138
Energy: 1.2082431012919135
Energy: 1.2735643057206203
Energy: 1.2082431012919135
Energy: 1.273868971945138
Energy: 1.2082431012919135
Energy: 1.2735643057206203
Energy: 1.2147554546026305
Energy: 1.1987705080066813
Energy: 1.2147194918990245
Energy: 1.1987721890546659
Energy: 1.2147554546026305
Energy: 1.1987705080066813
Energy: 1.2147194918990245
Energy: 1.3524542382880582
Energy: 1.3531097966477292
Energy: 1.352454238289986
Energy: 1.3531097966477292
Energy: 1.3524542382893434
Energy: 1.3531097966470866
Energy: 1.344197448496788
Energy: 1.311359416559888
Energy: 1.3683274644428998
Energy: 1.2940486045156225
Energy: 1.3661857125491903
Energy: 1.311359416559888
Energy: 1.3683274644428998
Energy: 1.29404860451498
Energy: 1.1872536528904802
Energy: 1.2230721014495112
Energy: 1.1872536528904802
Energy: 1.2230721014495112
Energy: 1.1872536528911228
Energy: 1.2230721014495112
Energy: 1.1872536528904802
Energy: 1.2080781513857513
Energy: 1.2209719991706567
Energy: 1.2080781513857513
Energy: 1.2203149138064142
Energy: 1.2080781513857513
Energy: 1.2209719991706567
Energy: 1.2080781513857513
Energy: 1.2900111082957466
Energy: 1.2700117407935247
Energy: 1.2484617940301408
Energy: 1.338006027258954
Energy: 1.2900111082957466
Energy: 1.2700117407935247
Energy: 1.2484617940301408
Energy: 1.312779446915687
Energy: 1.3110716101748392
Energy: 1.281055147447471
Energy: 1.3998439370077291
Energy: 1.312779446915687
Energy: 1.3110716101748392
Energy: 1.281055147447471
Energy: 1.1981146637294127
Energy: 1.2348912444665847
Energy: 1.19815513524505
Energy: 1.323502411870154
Energy: 1.1981146637294127
Energy: 1.2348912444665847
Energy: 1.19815513524505
Energy: 1.3065152192661436
Energy: 1.3005059119595828
Energy: 1.3049812454458376
Energy: 1.276905193443998
Energy: 1.3065152192661436
Energy: 1.3005059119589404
Energy: 1.3049812454451948
Energy: 1.3325580288101584
Energy: 1.3055681362473752
Energy: 1.332408995697422
Energy: 1.3055681362473752
Energy: 1.332558028810801
Energy: 1.3055681362473752
Energy: 1.3324089956967793
Energy: 1.3151623456541064
Energy: 1.3582841552195848
Energy: 1.3151623456541064
Energy: 1.3582841552195848
Energy: 1.3151623456541064
Energy: 1.3582841552195848
Energy: 1.3151623456541064
Energy: 1.2133719389846591
Energy: 1.198228175970679
Energy: 1.2133719389846591
Energy: 1.198228175970679
Energy: 1.2133719389846591
Energy: 1.198228175970679
Energy: 1.2133719389846591
Energy: 1.2807759026109011
Energy: 1.316467263953583
Energy: 1.280775902612829
Energy: 1.3135926660988189
Energy: 1.2807759026121863
Energy: 1.3164672639529402
Energy: 1.2807759026115437
Energy: 1.320800512224795
Energy: 1.270133555661293
Energy: 1.320800512224795
Energy: 1.2701335556606503
Energy: 1.320800512224795
Energy: 1.270133555661293
Energy: 1.320800512224795
Energy: 1.2114569809677243
Energy: 1.3341758057920439
Energy: 1.2112774798030679
Energy: 1.3341566270678071
Energy: 1.2114569809670817
Energy: 1.3341758057920439
Energy: 1.211277479802425
Energy: 1.1943842317284241
Energy: 1.2277348511253199
Energy: 1.1943901625333222
Energy: 1.22773512031078
Energy: 1.1943842317284241
Energy: 1.2277348511253199
Energy: 1.1943901625339648
Energy: 1.2748563393323407
Energy: 1.4107701481450234
Energy: 1.2748563393323407
Energy: 1.4103510167743638
Energy: 1.2748563393329833
Energy: 1.4107701481456663
Energy: 1.2748563393323407
Energy: 1.329823570801328
Energy: 1.4210956679105606
Energy: 1.3296678100055241
Energy: 1.420977208838037
Energy: 1.3298235708006854
Energy: 1.4210956679105606
Energy: 1.3296678100055241
Energy: 1.1871757102364826
Energy: 1.2228661965952934
Energy: 1.1871757102371252
Energy: 1.2228661965952934
Energy: 1.1871757102364826
Energy: 1.2228661965946508
Energy: 1.1871757102364826

minimum gb energy = 1.1833149755991335 eV
minimum distance =  2.24342113020992 Angstroms
sigma value = 39


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

Energy: 1.2832944451074553
Energy: 1.2885791316020025
Energy: 1.2832944451074553
Energy: 1.2885791316020025
Energy: 1.2832944451074553
Energy: 1.288579131602761
Energy: 1.2832944451082133
Energy: 1.3152364786756912
Energy: 1.189459304750288
Energy: 1.3152364786764494
Energy: 1.1894593047495639
Energy: 1.3152364786756912
Energy: 1.189459304750288
Energy: 1.3152364786749329
Energy: 1.2371360227611317
Energy: 1.2516035304448572
Energy: 1.2371360227611317
Energy: 1.2516035304448572
Energy: 1.2371360227611317
Energy: 1.2516035304448572
Energy: 1.2371360227611317
Energy: 1.300613727842813
Energy: 1.1918423463389158
Energy: 1.3006137278420546
Energy: 1.1918423463389158
Energy: 1.3006137278420546
Energy: 1.1918423463389158
Energy: 1.300613727842813
Energy: 1.2411489295136175
Energy: 1.1602933498770571
Energy: 1.2411489295121005
Energy: 1.1602933498770571
Energy: 1.241148929512859
Energy: 1.1602933498770571
Energy: 1.2411489295121005
Energy: 1.2783878965387656
Energy: 1.176838215330733
Energy: 1.278387896538007
Energy: 1.176838215330733
Energy: 1.2783878965387656
Energy: 1.176838215330733
Energy: 1.278387896538007
Energy: 1.2621950101466324
Energy: 1.2188338869256525
Energy: 1.2621950101466324
Energy: 1.2188338869256525
Energy: 1.316367570711814
Energy: 1.2188338869256525
Energy: 1.2065506084125257
Energy: 1.2591296949457476
Energy: 1.2298648352645534
Energy: 1.2591296949457476
Energy: 1.2298648352653119
Energy: 1.2591296949457476
Energy: 1.2298648352645534
Energy: 1.2591296949434723
Energy: 1.3348302018879385
Energy: 1.1977582681041625
Energy: 1.3348302018879385
Energy: 1.1977582681049208
Energy: 1.3348302018886968
Energy: 1.1977582681049208
Energy: 1.3348302018886968
Energy: 1.2021268992892604
Energy: 1.2889401557643505
Energy: 1.2021268992892604
Energy: 1.2889401557643505
Energy: 1.2021268992892604
Energy: 1.2889401557643505
Energy: 1.2021268992892604
Energy: 1.3044797616106445
Energy: 1.2884597512069407
Energy: 1.262706212536081
Energy: 1.2884597512069407
Energy: 1.3044797616106445
Energy: 1.2884597512069407
Energy: 1.2064333244602852
Energy: 1.24444389230828
Energy: 1.1949256150891392
Energy: 1.24444389230828
Energy: 1.1949256150898977
Energy: 1.24444389230828
Energy: 1.1949256150891392
Energy: 1.24444389230828
Energy: 1.3907072972312184
Energy: 1.1956387338971364
Energy: 1.390707297231977
Energy: 1.195638733896378
Energy: 1.3907072972312184
Energy: 1.195638733896378
Energy: 1.3907072972327357
Energy: 1.213704211940926
Energy: 1.1762276007770018
Energy: 1.213704211940926
Energy: 1.1762276007770018
Energy: 1.2137042119416843
Energy: 1.1762276007777601
Energy: 1.213704211940926
Energy: 1.2014351458652415
Energy: 1.2392615811562742
Energy: 1.2014351458652415
Energy: 1.239261581157791
Energy: 1.2014351458652415
Energy: 1.2392615811562742
Energy: 1.2036635172595334
Energy: 1.207801246198412
Energy: 1.1922002869879225
Energy: 1.207801246198412
Energy: 1.1922002869886807
Energy: 1.207801246198412
Energy: 1.1922002869879225
Energy: 1.207801246198412
Energy: 1.3192482858291386
Energy: 1.196108242786324
Energy: 1.3192482858291386
Energy: 1.196108242786324
Energy: 1.3192482858306556
Energy: 1.196108242786324
Energy: 1.3192482858283803
Energy: 1.2712399801973622
Energy: 1.2099310767941769
Energy: 1.2712399801973622
Energy: 1.20993107679266
Energy: 1.271239980198121
Energy: 1.209931076795694
Energy: 1.2712399801973622
Energy: 1.3319418984896965
Energy: 1.2528338714176313
Energy: 1.3319418984896965
Energy: 1.2528338714176313
Energy: 1.3319418984896965
Energy: 1.2528338714176313
Energy: 1.3319418984889377
Energy: 1.2824436104198145
Energy: 1.2892958670260286
Energy: 1.282443610420573
Energy: 1.2892958670085848
Energy: 1.282443610420573
Energy: 1.2892958670123769
Energy: 1.282443610420573
Energy: 1.2892496664432735
Energy: 1.1878099317387885
Energy: 1.2892496664417568
Energy: 1.1878099317387885
Energy: 1.2892496664425153
Energy: 1.1878099317387885
Energy: 1.2892496664425153
Energy: 1.2783206574231591
Energy: 1.1961289470230108
Energy: 1.2783206574231591
Energy: 1.1961289470222525
Energy: 1.2783206574231591
Energy: 1.1961289470230108
Energy: 1.2783206574231591
Energy: 1.2990853166834042
Energy: 1.1824165019341153
Energy: 1.2990853166856795
Energy: 1.1824165019363906
Energy: 1.2990853166856795
Energy: 1.182416501934874
Energy: 1.2990853166871965
Energy: 1.2410464957588903
Energy: 1.1598804310850437
Energy: 1.2410464957588903
Energy: 1.1598804310850437
Energy: 1.2410464957588903
Energy: 1.1598804310842852
Energy: 1.2410464957588903
Energy: 1.2834747290651458
Energy: 1.1771267794663653
Energy: 1.2834747290659043
Energy: 1.1771267794663653
Energy: 1.2834747290659043
Energy: 1.1771267794663653
Energy: 1.2834747290659043
Energy: 1.2764844092027174
Energy: 1.2162051270466896
Energy: 1.2764844092027174
Energy: 1.216205127047448
Energy: 1.2764844092027174
Energy: 1.2162051270466896
Energy: 1.276484409203476
Energy: 1.2513995199690768
Energy: 1.2208977500074853
Energy: 1.2513995199698353
Energy: 1.2208977500074853
Energy: 1.2513995199698353
Energy: 1.220897750006727
Energy: 1.2513995199698353
Energy: 1.2530298172713166
Energy: 1.1944368272243586
Energy: 1.2530298172713166
Energy: 1.1944368272243586
Energy: 1.2530298172713166
Energy: 1.1944368272236001
Energy: 1.2530298172713166
Energy: 1.2030300842202493
Energy: 1.288579131601244
Energy: 1.2030300842202493
Energy: 1.288579131601244
Energy: 1.2030300842202493
Energy: 1.2885791316020025
Energy: 1.2030300842202493
Energy: 1.2532900593668161
Energy: 1.1838925118824417
Energy: 1.2532900593675744
Energy: 1.1838925118824417
Energy: 1.2532900593668161
Energy: 1.1838925118824417
Energy: 1.2532900593675744

minimum gb energy = 1.1598804310842852 eV
minimum distance =  2.22850073383439 Angstroms
sigma value = 21


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

Energy: 1.2565538749126484
Energy: 1.2870027623954192
Energy: 1.2565538749126484
Energy: 1.2870027623954192
Energy: 1.2565538749126484
Energy: 1.2870027623954192
Energy: 1.2565538749126484
Energy: 1.1293775301244335
Energy: 1.10150242539338
Energy: 1.1293775301244335
Energy: 1.10150242539338
Energy: 1.1293775301244335
Energy: 1.1015024253924595
Energy: 1.1293775301244335
Energy: 1.268354103533337
Energy: 1.2130827915576203
Energy: 1.268354103533337
Energy: 1.2130827915566995
Energy: 1.268354103533337
Energy: 1.2130827915566995
Energy: 1.2683541035342576
Energy: 1.121729503617058
Energy: 1.1023984870614298
Energy: 1.1217295036161372
Energy: 1.1023984870614298
Energy: 1.1217295036152168
Energy: 1.102398487060509
Energy: 1.1217295036179789
Energy: 1.0595412537164932
Energy: 1.1461874932404554
Energy: 1.0595412537164932
Energy: 1.1461874932404554
Energy: 1.0595412537164932
Energy: 1.146187493241376
Energy: 1.0595412537164932
Energy: 1.0783194690229296
Energy: 1.1067417630292298
Energy: 1.0783194690238505
Energy: 1.1067417630292298
Energy: 1.0783194690247708
Energy: 1.1067417630292298
Energy: 1.0783194690247708
Energy: 1.0775627840804183
Energy: 1.1733480256917692
Energy: 1.0775627840804183
Energy: 1.1733480256926903
Energy: 1.0775627840804183
Energy: 1.1733480256926903
Energy: 1.0775627840804183
Energy: 1.0592092287655617
Energy: 1.090217009707384
Energy: 1.0592092287655617
Energy: 1.090217009707384
Energy: 1.0592092287664825
Energy: 1.090217009707384
Energy: 1.0592092287655617
Energy: 1.1244953967695432
Energy: 1.0904657235355082
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Energy: 1.0904657235345874
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Energy: 1.0904657235355082
Energy: 1.124495396770464
Energy: 1.0785449455417337
Energy: 1.149221412334655
Energy: 1.0785449455417337
Energy: 1.1492214123383375
Energy: 1.0785449455417337
Energy: 1.1492214123401792
Energy: 1.0785449455417337
Energy: 1.078715022919704
Energy: 1.1113441936199615
Energy: 1.078715022919704
Energy: 1.111344193619041
Energy: 1.078715022919704
Energy: 1.1113441936181203
Energy: 1.078715022919704
Energy: 1.05947752658948
Energy: 1.1373248567318386
Energy: 1.05947752658948
Energy: 1.1373248567318386
Energy: 1.05947752658948
Energy: 1.1373248567309178
Energy: 1.05947752658948
Energy: 1.1159298202605425
Energy: 1.0949429489327402
Energy: 1.1159298202605425
Energy: 1.0949429489327402
Energy: 1.1159298202605425
Energy: 1.0949429489327402
Energy: 1.1159298202605425
Energy: 1.1713306383653916
Energy: 1.1734722127713295
Energy: 1.171330638361709
Energy: 1.1734722127722501
Energy: 1.1713306383635504
Energy: 1.1734722127713295
Energy: 1.1713306383653916
Energy: 1.126181564795416
Energy: 1.110575721907242
Energy: 1.126181564795416
Energy: 1.1105757219054007
Energy: 1.126181564795416
Energy: 1.110575721907242
Energy: 1.126181564795416
Energy: 1.2466897529675134
Energy: 1.222122590484627
Energy: 1.2466897529675134
Energy: 1.2221225904837065
Energy: 1.2466897529675134
Energy: 1.2221225904837065
Energy: 1.2466897529675134
Energy: 1.15466695506232
Energy: 1.1076859410830842
Energy: 1.15466695506232
Energy: 1.1076859410830842
Energy: 1.15466695506232
Energy: 1.107685941084005
Energy: 1.15466695506232
Energy: 1.1722147787748578
Energy: 1.173734890745534
Energy: 1.1722147787748578
Energy: 1.1737348907538205
Energy: 1.1722147787757786
Energy: 1.1737348907501377
Energy: 1.1722147787748578
Energy: 1.1556133680347018
Energy: 1.111761730631593
Energy: 1.1556133680347018
Energy: 1.111761730631593
Energy: 1.1556133680347018
Energy: 1.111761730631593
Energy: 1.1556133680347018
Energy: 1.0594558661508293
Energy: 1.10167024515142
Energy: 1.0594558661508293
Energy: 1.1016702451523406
Energy: 1.0594558661526707
Energy: 1.10167024515142
Energy: 1.0594558661499087
Energy: 1.1156351673690026
Energy: 1.1671922197682694
Energy: 1.1156351673690026
Energy: 1.1671922197655076
Energy: 1.1156351673690026
Energy: 1.1671922197655076
Energy: 1.1156351673690026
Energy: 1.077649224488992
Energy: 1.1711821876874533
Energy: 1.0776492244880713
Energy: 1.171182187685612
Energy: 1.077649224488992
Energy: 1.1711821876874533
Energy: 1.077649224488992
Energy: 1.1484572812804978
Energy: 1.1109432594775486
Energy: 1.1484572812804978
Energy: 1.1109432594775486
Energy: 1.1484572812804978
Energy: 1.1109432594775486
Energy: 1.1484572812804978
Energy: 1.1277888703041017
Energy: 1.100600351326008
Energy: 1.1277888703041017
Energy: 1.1006003513250873
Energy: 1.1277888703041017
Energy: 1.100600351326008
Energy: 1.1277888703041017
Energy: 1.1104432913135258
Energy: 1.168777734364231
Energy: 1.1104432913135258
Energy: 1.168777734364231
Energy: 1.1104432913135258
Energy: 1.168777734364231
Energy: 1.1104432913135258

minimum gb energy = 1.0592092287655617 eV
minimum distance =  2.27827655582777 Angstroms
sigma value = 113


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

Energy: 1.0584172640114424
Energy: 1.1078040265310383
Energy: 1.0584172640155531
Energy: 1.1078040265274416
Energy: 1.0584172640155531
Energy: 1.1078040265289828
Energy: 1.0584172640134977
Energy: 1.0259642166780438
Energy: 0.9612839656875374
Energy: 1.0259642166759886
Energy: 0.9612839656880512
Energy: 1.0259642166785576
Energy: 0.9612839656880512
Energy: 1.0259642166790717
Energy: 1.0328469849880992
Energy: 0.9993824003529547
Energy: 1.0328469849880992
Energy: 0.999382400351927
Energy: 1.0328469849880992
Energy: 0.9993824003529547
Energy: 1.0328469849875854
Energy: 0.9938446446380589
Energy: 0.9772590330241689
Energy: 0.9938446446375451
Energy: 0.9772590330241689
Energy: 0.9938446446380589
Energy: 0.9772590330236551
Energy: 0.9938446446375451
Energy: 0.997783182568997
Energy: 1.0340958829333713
Energy: 0.997783182568997
Energy: 1.0340958829359406
Energy: 0.997783182568997
Energy: 1.0340958829333713
Energy: 0.997783182568997
Energy: 0.9713071967236048
Energy: 0.9635158106975066
Energy: 0.9713071967246325
Energy: 0.9635158106969928
Energy: 0.9713071967246325
Energy: 0.963515810695965
Energy: 0.9713071967246325
Energy: 0.9861259127920121
Energy: 0.9877311372004142
Energy: 0.9861259127920121
Energy: 0.987731137203497
Energy: 0.9861259127914984
Energy: 0.9877311371993864
Energy: 0.9861259127920121
Energy: 0.9754017460969631
Energy: 0.9451247368291644
Energy: 0.975401746097477
Energy: 0.9451247368291644
Energy: 0.975401746097477
Energy: 0.9451247368291644
Energy: 0.9754017460959354
Energy: 0.9653731143282359
Energy: 0.9804275748018418
Energy: 0.9653731143302914
Energy: 0.9804275748003003
Energy: 0.9653731143328605
Energy: 0.9804275748003003
Energy: 0.9653731143282359
Energy: 0.9720284620611133
Energy: 0.9291257124866008
Energy: 0.9720284620600855
Energy: 0.929125712485573
Energy: 0.9720284620605995
Energy: 0.929125712485573
Energy: 0.9720284620595717
Energy: 0.960133715392242
Energy: 0.9445320931665344
Energy: 0.9601337153912144
Energy: 0.9445320931665344
Energy: 0.960133715392242
Energy: 0.9445320931665344
Energy: 0.9601337153917283
Energy: 0.9974507121210687
Energy: 0.9572162107959757
Energy: 0.9974507121210687
Energy: 0.9572162107959757
Energy: 0.9974507121205549
Energy: 0.9572162107913513
Energy: 0.9974507121210687
Energy: 0.9043076101365177
Energy: 0.9984885197354679
Energy: 0.90430761013549
Energy: 0.9984885197359817
Energy: 0.9043076101349763
Energy: 0.9984885197364956
Energy: 0.9043076101349763
Energy: 0.9593130591723501
Energy: 0.9284407576628161
Energy: 0.9593130591718362
Energy: 0.9284407576643576
Energy: 0.9593130591713225
Energy: 0.9284407576653853
Energy: 0.9593130591713225
Energy: 0.9467290249193583
Energy: 0.9224114785825437
Energy: 0.9467290249193583
Energy: 0.9224114785835714
Energy: 0.9467290249188444
Energy: 0.92241147858203
Energy: 0.9467290249188444
Energy: 1.0173685080173724
Energy: 0.9990125610398044
Energy: 1.0173685080163448
Energy: 0.9990125610387768
Energy: 1.0173685080178865
Energy: 0.9990125610428875
Energy: 1.0173685080173724
Energy: 0.9058070373237707
Energy: 0.9266988082911753
Energy: 0.9058070373237707
Energy: 0.9266988082927169
Energy: 0.9058070373237707
Energy: 0.926698808292203
Energy: 0.9058070373237707
Energy: 0.9730455430908364
Energy: 0.9414682887567503
Energy: 0.9730455430908364
Energy: 0.9414682887562364
Energy: 0.9730455430908364
Energy: 0.9414682887552089
Energy: 0.9730455430908364
Energy: 0.9673015797186325
Energy: 0.9234334810248374
Energy: 0.967301579720174
Energy: 0.9234334810238096
Energy: 0.9673015797191465
Energy: 0.9234334810232959
Energy: 0.9673015797186325
Energy: 0.9656471554779139
Energy: 1.0045958951612763
Energy: 0.9656471554779139
Energy: 1.004595895159735
Energy: 0.9656471554768863
Energy: 1.004595895159221
Energy: 0.9656471554768863
Energy: 0.9827392693574115
Energy: 0.926923632918186
Energy: 0.9827392693579252
Energy: 0.9269236329186998
Energy: 0.9827392693579252
Energy: 0.9269236329186998
Energy: 0.9827392693574115
Energy: 0.992278597328457
Energy: 0.9630828550063395
Energy: 0.9922785973289707
Energy: 0.9630828550063395
Energy: 0.9922785973294845
Energy: 0.9630828550058258
Energy: 0.9922785973294845
Energy: 0.9559776802094868
Energy: 1.0022420651313722
Energy: 0.9559776802089729
Energy: 1.002242065131886
Energy: 0.9559776802084592
Energy: 1.002242065131886
Energy: 0.9559776802084592
Energy: 0.9674230611501832
Energy: 1.0306801276404212
Energy: 0.9674230611506969
Energy: 1.0306801275695112
Energy: 0.9674230611506969
Energy: 1.0306801276902169
Energy: 0.9674230611512107
Energy: 0.9610327033490745
Energy: 0.9739986944940362
Energy: 0.9610327033860242
Energy: 0.973998694495064
Energy: 0.9610327033839688
Energy: 0.9739986944945502
Energy: 0.9610327034040086
Energy: 1.0236008761681405
Energy: 0.9695498740859997
Energy: 1.0236008761727649
Energy: 0.969549874084972
Energy: 1.0236008761727649
Energy: 0.969549874084972
Energy: 1.0236008761686541
Energy: 1.0237026340425874
Energy: 0.9598772475099208
Energy: 1.0237026340431012
Energy: 0.9598772475109483
Energy: 1.0237026340431012
Energy: 0.9598772475109483
Energy: 1.0237026340436153
Energy: 1.0290106326488007
Energy: 1.076020108730827
Energy: 1.029010632649828
Energy: 1.0760201087226058
Energy: 1.0290106326513697
Energy: 1.0760201087493253
Energy: 1.029010632650342
Energy: 1.0046217737338157
Energy: 0.9621468138803235
Energy: 1.0046217592212512
Energy: 0.9621468138798097
Energy: 1.0046217716054044
Energy: 0.9621468138798097
Energy: 1.004621758476513
Energy: 1.0145292663394234
Energy: 0.9696809257684638
Energy: 1.0145292663394234
Energy: 0.9696809257679501
Energy: 1.014529266339937
Energy: 0.9696809257689777
Energy: 1.0145292663389094
Energy: 0.9833535295385224
Energy: 1.1206561512710964
Energy: 0.9833535295390362
Energy: 1.12065615127161
Energy: 0.9833535295385224
Energy: 1.12065615127161
Energy: 0.9833535295390362
Energy: 0.9674780838635607
Energy: 1.00385589332013
Energy: 0.9674780838651023
Energy: 1.003855893426448
Energy: 0.9674780838620192
Energy: 1.0038558932893469
Energy: 0.9674780838630469
Energy: 1.0479966539794603
Energy: 0.9622040664834235
Energy: 1.0479966539784324
Energy: 0.9622040664839374
Energy: 1.0479966539789465
Energy: 0.9622040664829096
Energy: 1.0479966539794603
Energy: 0.9746701829100803
Energy: 0.969766773614891
Energy: 0.9746701828803243
Energy: 0.9697667736138632
Energy: 0.974670183077031
Energy: 0.9697667736143771
Energy: 0.9746701829409107
Energy: 0.9794751528808798
Energy: 1.0660158342887758
Energy: 0.9794751528803658
Energy: 1.0660158342898034
Energy: 0.9794751528808798
Energy: 1.0660158342903172
Energy: 0.9794751528813936
Energy: 0.9482507333612011
Energy: 0.9985257637138697
Energy: 0.9482507333601733
Energy: 0.9985257637184942
Energy: 0.948250733360687
Energy: 0.9985257637148975
Energy: 0.9482507333601733
Energy: 0.9459218961093242
Energy: 0.9279456977471574
Energy: 0.9459218961088105
Energy: 0.9279456977466436
Energy: 0.9459218961082967
Energy: 0.9279456977461297
Energy: 0.9459218961082967
Energy: 0.9694219970716708
Energy: 0.9233906820403651
Energy: 0.9694219970716708
Energy: 0.9233906820408788
Energy: 0.9694219970716708
Energy: 0.9233906820413927
Energy: 0.969421997071157
Energy: 0.956065511781662
Energy: 0.976936559655874
Energy: 0.9560655117826896
Energy: 0.976936559655874
Energy: 0.9560655117821757
Energy: 0.976936559655874
Energy: 0.9560655117826896
Energy: 0.9046543617706694
Energy: 1.015476862075804
Energy: 0.9046543617706694
Energy: 1.0154768620609023
Energy: 0.9046543617706694
Energy: 1.0154768620064356
Energy: 0.9046543617696419
Energy: 0.9483192963872863
Energy: 0.927186486135298
Energy: 0.9483192963872863
Energy: 0.927186486135298
Energy: 0.9483192963872863
Energy: 0.927186486135298
Energy: 0.9483192963872863
Energy: 0.9510730590669656
Energy: 0.920256315169968
Energy: 0.9510730590664518
Energy: 0.9202563151704819
Energy: 0.9510730590669656
Energy: 0.920256315169968
Energy: 0.9510730590669656
Energy: 0.9402799578148318
Energy: 1.0598817226804524
Energy: 0.9402799578148318
Energy: 1.05988172268148
Energy: 0.9402799578143178
Energy: 1.0598817226804524
Energy: 0.9402799578143178
Energy: 0.9069801280126619
Energy: 0.9264128273521717
Energy: 0.906980128012148
Energy: 0.9264128273531994
Energy: 0.9069801280126619
Energy: 0.9264128273531994
Energy: 0.9069801280126619
Energy: 0.938735611049701
Energy: 0.9399836551604936
Energy: 0.938735611049701
Energy: 0.9399836551604936
Energy: 0.938735611049701
Energy: 0.9399836551610075
Energy: 0.938735611049701

minimum gb energy = 0.9043076101349763 eV
minimum distance =  2.26787884392324 Angstroms
sigma value = 365


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

Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 2.083193285946823
Energy: 1.0719604487587393
Energy: 1.8454513710358937
Energy: 1.071960448757581
Energy: 2.0831933921838726
Energy: 1.0719604487587393
Energy: 1.8455361513430657
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.4056187774602051
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.4056187774602051
Energy: 2.0831932995973093
Energy: 1.0719604487587393
Energy: 2.083193055373234
Energy: 1.0719604487587393
Energy: 1.8454709100274274
Energy: 1.0719604487587393
Energy: 1.8455360026665517
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.944314952675672
Energy: 1.0719604487587393
Energy: 2.0831931628169
Energy: 1.0719604487587393
Energy: 1.8454939847212888
Energy: 1.0719604487587393
Energy: 1.8453643317052304
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.8454209127052865
Energy: 1.0719604487587393
Energy: 1.8453504169613815
Energy: 1.071960448757581
Energy: 1.8453620813122866
Energy: 1.0719604487587393
Energy: 1.8453676091230664
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.4056187774602051
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.8455984319764371
Energy: 1.0719604487587393
Energy: 1.845548165837822
Energy: 1.0719604487587393
Energy: 1.845466437468902
Energy: 1.0719604487587393
Energy: 1.8455363282619757
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680543564
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.845366970835755
Energy: 1.0719604487587393
Energy: 1.8454589395041885
Energy: 1.071960448757581
Energy: 1.8455289445974257
Energy: 1.0719604487587393
Energy: 1.8453445242724225
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.845524180368165
Energy: 1.0719604487587393
Energy: 1.8454372085325845
Energy: 1.0719604487587393
Energy: 1.8455223914571044
Energy: 1.0719604487587393
Energy: 1.8455333540589756
Energy: 0.40561877745904656
Energy: 0.32020592680543564
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.8454165761628945
Energy: 1.0719604487587393
Energy: 1.8455171346514123
Energy: 1.0719604487587393
Energy: 1.8455098624337418
Energy: 1.0719604487587393
Energy: 1.8454671071877573
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.4056187774578881
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.8453986534133562
Energy: 1.0719604487587393
Energy: 1.8454652141819203
Energy: 1.0719604487587393
Energy: 1.845563412572254
Energy: 1.071960448757581
Energy: 1.8454191638308297
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 0.32020592680659415
Energy: 0.40561877745904656
Energy: 1.845355561426191
Energy: 1.0719604487587393
Energy: 1.8455046563981912
Energy: 1.071960448757581
Energy: 1.8454254810186685
Energy: 1.071960448757581
Energy: 1.845425936199851

minimum gb energy = 0.32020592680543564 eV
minimum distance =  2.24471084492354 Angstroms
sigma value = 23