Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_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=2.855324894189835
cohesive_energy=4.1227593179916635
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: 0.015643636446672216
Energy: 0.5026690722266008
Energy: 0.01564363644708265
Energy: 0.5026690722242065
Energy: 0.015643636446672216
Energy: 0.5026690722278093
Energy: 0.01564363644708265
Energy: 0.016472866644798377
Energy: 0.5596052434856866
Energy: 0.016472866644000304
Energy: 0.559605243484478
Energy: 0.016472866644798377
Energy: 0.5596052434856866
Energy: 0.016472866644410743
Energy: 1.0868377151459265
Energy: 0.5479007891527471
Energy: 1.4315681874135018
Energy: 0.5479007889569911
Energy: 0.015951383705817217
Energy: 0.5479007890444372
Energy: 0.015912381569587873
Energy: 0.01647286664279179
Energy: 0.55960524348368
Energy: 0.01647286664320223
Energy: 0.5596052434820611
Energy: 0.01647286664279179
Energy: 0.5596052434840677
Energy: 0.01647286664279179
Energy: 0.015643636446284578
Energy: 0.5026690722242065
Energy: 0.01564363644708265
Energy: 0.502669072225415
Energy: 0.015643636446284578
Energy: 0.5026690722234085
Energy: 0.01564363644747029
Energy: 0.01647286664279179
Energy: 0.55960524348368
Energy: 0.01647286664320223
Energy: 0.5596052434820611
Energy: 0.01647286664320223
Energy: 0.55960524348368
Energy: 0.01647286664320223

minimum gb energy = 0.015643636446284578 eV
minimum distance =  2.46848374167764 Angstroms
sigma value = 5


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

Energy: 1.2708909928026948
Energy: 1.6735153472103195
Energy: 1.2708909928036751
Energy: 1.6735153472112998
Energy: 1.2708909928036751
Energy: 1.6735153472112998
Energy: 1.2708909928031848
Energy: 1.2422161819624178
Energy: 1.2035686892253334
Energy: 1.2422161819648692
Energy: 1.203568689227785
Energy: 1.2422161819619275
Energy: 1.2035686892248432
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Energy: 1.1672150621404473
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Energy: 1.1956292621700753
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Energy: 1.2366016311217158
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Energy: 1.2366016311226962
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Energy: 1.1505752653034536
Energy: 1.2446206176467045
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Energy: 1.150575265302473
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Energy: 1.1505752652990409
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Energy: 1.2419691055171802
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Energy: 1.2480350274862746
Energy: 1.2791919988621536
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Energy: 1.1658040198562294
Energy: 1.1577220866682347
Energy: 1.1658040198581905
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Energy: 1.1658040198567199
Energy: 1.157722086666764
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Energy: 1.1842273851447622
Energy: 1.2963872597891903
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Energy: 1.2963872597828165
Energy: 1.1842273851457428
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Energy: 1.1972305989752823
Energy: 1.2121289987643746
Energy: 1.197230598973321
Energy: 1.212128998761433
Energy: 1.1972305989747918
Energy: 1.2121289987673165
Energy: 1.1972305989718501
Energy: 1.242917335206617
Energy: 1.2927462000343923
Energy: 1.2429173352105392
Energy: 1.2927462000324312
Energy: 1.2429173352056362
Energy: 1.292746200033902
Energy: 1.2429173352115197
Energy: 1.1743288593766432
Energy: 1.260427077903947
Energy: 1.1743288593737014
Energy: 1.260427077903947
Energy: 1.1743288593766432
Energy: 1.2604270779034568
Energy: 1.1743288593732113
Energy: 1.1598496635388225
Energy: 1.2560465338751543
Energy: 1.1598496635383322
Energy: 1.2560465338678
Energy: 1.1598496635393125
Energy: 1.256046533874664
Energy: 1.1598496635383322
Energy: 1.1637836278368123
Energy: 1.2268559445656317
Energy: 1.1637836278373028
Energy: 1.226855944561219
Energy: 1.1637836278368123
Energy: 1.2268559445651415
Energy: 1.1637836278373028
Energy: 1.190076074581517
Energy: 1.2387095993142443
Energy: 1.190076074584459
Energy: 1.2387095993181665
Energy: 1.1900760745805368
Energy: 1.238709599313754
Energy: 1.190076074584459

minimum gb energy = 1.1413347960043476 eV
minimum distance =  2.26354830446352 Angstroms
sigma value = 401


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

Energy: 1.353229880293806
Energy: 1.3306472852306763
Energy: 1.268363420101454
Energy: 1.3306472852351285
Energy: 1.3532298802860145
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Energy: 1.310841897728775
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Energy: 1.2742918528333507
Energy: 1.2606101487284918
Energy: 1.3112825997219955
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Energy: 1.271010994405573
Energy: 1.3395232168385836
Energy: 1.2710337227015098
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Energy: 1.2710109944016772
Energy: 1.3395232168413664
Energy: 1.2710337227087445
Energy: 1.2609407103719226
Energy: 1.339398005462825
Energy: 1.2609578334045048
Energy: 1.3396600989720833
Energy: 1.2609407103663575
Energy: 1.339398005454477
Energy: 1.260957833398383
Energy: 1.2075454695009482
Energy: 1.3105964552446643
Energy: 1.20754201165505
Energy: 1.31059645524856
Energy: 1.2075454695054004
Energy: 1.3105964552491165
Energy: 1.2075420116567195
Energy: 1.229890558632665
Energy: 1.3389528939059547
Energy: 1.2298892198540068
Energy: 1.3389528939037285
Energy: 1.229890558636004
Energy: 1.3389528939037285
Energy: 1.2298892198434326
Energy: 1.1940998931791513
Energy: 1.230796238986855
Energy: 1.1940998931735862
Energy: 1.2307962389901943
Energy: 1.1940998931758122
Energy: 1.2307962389957594
Energy: 1.1940998931769253
Energy: 1.1909857524268854
Energy: 1.218708127952303
Energy: 1.1909857524257725
Energy: 1.218708127954529
Energy: 1.1909857524324508
Energy: 1.218708127960651
Energy: 1.1909857524274419
Energy: 1.2683634200986715
Energy: 1.330647285232346
Energy: 1.2683634200997844
Energy: 1.3306472852345719
Energy: 1.2683634200975584
Energy: 1.3306472852334588
Energy: 1.2683634200975584
Energy: 1.1917996689362298
Energy: 1.2182253329192627
Energy: 1.1917996689367865
Energy: 1.2183332190865501
Energy: 1.1917996689378993
Energy: 1.2182253329253845
Energy: 1.1917996689362298

minimum gb energy = 1.1909857524257725 eV
minimum distance =  2.27924444463932 Angstroms
sigma value = 311


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

Energy: 1.2184956404454317
Energy: 1.2601564015902764
Energy: 1.2184956404467169
Energy: 1.2601564015915618
Energy: 1.2184956404454317
Energy: 1.2601564015909192
Energy: 1.2184956404467169
Energy: 1.1967500197634746
Energy: 1.1957813656032312
Energy: 1.1967500197641174
Energy: 1.1957813656019458
Energy: 1.196750019762832
Energy: 1.1957813656032312
Energy: 1.1967500197634746
Energy: 1.2466502060841482
Energy: 1.2468659215349795
Energy: 1.2466502060841482
Energy: 1.246865921532409
Energy: 1.2466502060822207
Energy: 1.246865921532409
Energy: 1.2466502060841482
Energy: 1.2728615751616081
Energy: 1.2491973687789149
Energy: 1.272861575160323
Energy: 1.2491973687776294
Energy: 1.2728615751616081
Energy: 1.2491973687789149
Energy: 1.2728615751635357
Energy: 1.2771191275843123
Energy: 1.3194636486576081
Energy: 1.277119127586883
Energy: 1.3194636486569655
Energy: 1.2771191275843123
Energy: 1.3194636486576081
Energy: 1.2771191275849552
Energy: 1.1366722968037057
Energy: 1.2054249801420622
Energy: 1.1366722968056335
Energy: 1.2054249801427048
Energy: 1.1366722968043481
Energy: 1.2054249801414194
Energy: 1.1366722968056335
Energy: 1.1498778445241569
Energy: 1.2073823011208746
Energy: 1.1498778445267275
Energy: 1.2073823011228024
Energy: 1.1498778445247997
Energy: 1.2073823011208746
Energy: 1.1498778445267275
Energy: 1.286187943049594
Energy: 1.2661216268221596
Energy: 1.286187943049594
Energy: 1.2661216268234448
Energy: 1.286187943049594
Energy: 1.2661216268221596
Energy: 1.286187943049594
Energy: 1.262527830687019
Energy: 1.2726527907274925
Energy: 1.2625278306844483
Energy: 1.272652790724922
Energy: 1.262527830687019
Energy: 1.2726527907281353
Energy: 1.2625278306844483
Energy: 1.2071433472405138
Energy: 1.2666598465177834
Energy: 1.2071433472411566
Energy: 1.2666598465177834
Energy: 1.207143347238586
Energy: 1.2666598465164982
Energy: 1.2071433472373005
Energy: 1.2208399659700206
Energy: 1.266765225910483
Energy: 1.2208399659719484
Energy: 1.2667652259091975
Energy: 1.220839965972591
Energy: 1.26676522590727
Energy: 1.2208399659713058
Energy: 1.3126123528912683
Energy: 1.320981554172143
Energy: 1.3126123528906255
Energy: 1.3209815541740708
Energy: 1.3126123528906255
Energy: 1.3209815541708576
Energy: 1.3126123528912683
Energy: 1.2459037733976803
Energy: 1.2728936257448298
Energy: 1.245903773398323
Energy: 1.2728936257448298
Energy: 1.2459037733976803
Energy: 1.2728936257448298
Energy: 1.245903773398323
Energy: 1.1372109407337265
Energy: 1.1531695194759433
Energy: 1.1372109407337265
Energy: 1.15316951947273
Energy: 1.1372109407337265
Energy: 1.1531695194759433
Energy: 1.1372109407337265
Energy: 1.2348382547534358
Energy: 1.2291256980338001
Energy: 1.2348382547611472
Energy: 1.2291256980350855
Energy: 1.2348382547534358
Energy: 1.2291256980338001
Energy: 1.2348382547585768
Energy: 1.2084283641598417
Energy: 1.2577390519375868
Energy: 1.2084283641566287
Energy: 1.2577390519395144
Energy: 1.2084283641598417
Energy: 1.2577390519375868
Energy: 1.2084283641566287
Energy: 1.2604260588854246
Energy: 1.2041997774883813
Energy: 1.2604260588841685
Energy: 1.2041997774883813
Energy: 1.2604260588873526
Energy: 1.2041997774883813
Energy: 1.2604260588854246
Energy: 1.234519415573784
Energy: 1.2508679609660682
Energy: 1.2345194155731418
Energy: 1.250867960967996
Energy: 1.2345194155718564
Energy: 1.2508679609654256
Energy: 1.2345194155750694
Energy: 1.273663615087407
Energy: 1.3073636320706545
Energy: 1.2736636150886924
Energy: 1.3073636320674416
Energy: 1.2774507595853493
Energy: 1.307363632070012
Energy: 1.229710194607307
Energy: 1.2950102184136496
Energy: 1.3457802434740134
Energy: 1.2950102184155772
Energy: 1.3457802434720856
Energy: 1.2950102184168624
Energy: 1.3457802434720856
Energy: 1.2950102184162198
Energy: 1.1421173205135327
Energy: 1.1547175457712975
Energy: 1.14211732051289
Energy: 1.154717545772583
Energy: 1.1421173205135327
Energy: 1.1547175457712975
Energy: 1.14211732051289
Energy: 1.140358270301478
Energy: 1.2710615070755698
Energy: 1.14035827029955
Energy: 1.2710615070749272
Energy: 1.140358270301478
Energy: 1.271061507073642
Energy: 1.14035827029955
Energy: 1.2405940934275799
Energy: 1.2580966341227486
Energy: 1.3106695400200226
Energy: 1.2580966341240338
Energy: 1.2657717513539888
Energy: 1.258096634123391
Energy: 1.2657717513539888
Energy: 1.2682367574675781
Energy: 1.3053537806032038
Energy: 1.2682367574682205
Energy: 1.3053537806032038
Energy: 1.2682367574682205
Energy: 1.3053537806032038
Energy: 1.2682367574675781
Energy: 1.257686366149704
Energy: 1.2306501721107257
Energy: 1.2576863661490612
Energy: 1.230650172110083
Energy: 1.2576863661490612
Energy: 1.2306501721075127
Energy: 1.2576863661522744
Energy: 1.3762887961111618
Energy: 1.3449083548402374
Energy: 1.376288796110519
Energy: 1.3449083548408802
Energy: 1.3762887961085912
Energy: 1.3449083548389522
Energy: 1.3762887961085912
Energy: 1.2635254213581524
Energy: 1.2945380776233013
Energy: 1.2635254213568672
Energy: 1.2945380776207307
Energy: 1.2635254213562248
Energy: 1.2945380776233013
Energy: 1.3384122290465348
Energy: 1.2532026687509974
Energy: 1.2206511252415686
Energy: 1.2532026687509974
Energy: 1.2206511252409258
Energy: 1.2532026687503548
Energy: 1.2206511252415686
Energy: 1.2532026687503548
Energy: 1.1422473973117007
Energy: 1.1525316380224302
Energy: 1.1422473973117007
Energy: 1.1525316380217876
Energy: 1.1422473973117007
Energy: 1.1525316380217876
Energy: 1.1422473973117007
Energy: 1.2682613968733116
Energy: 1.303367592349004
Energy: 1.2682613968726688
Energy: 1.3033675922044727
Energy: 1.268261396873954
Energy: 1.3033675921762264
Energy: 1.2682613968726688
Energy: 1.310330263314433
Energy: 1.2581009600757636
Energy: 1.3472844563418784
Energy: 1.2581009600744781
Energy: 1.281829172859218
Energy: 1.2581009600751207
Energy: 1.281829172859218
Energy: 1.223620870632281
Energy: 1.2595846531317738
Energy: 1.2236208706309957
Energy: 1.2595846531317738
Energy: 1.223620870632281
Energy: 1.2595846531311314
Energy: 1.2236208706329237
Energy: 1.216128965112406
Energy: 1.2768392704967
Energy: 1.2161289651111207
Energy: 1.2768392704986278
Energy: 1.2161289651117635
Energy: 1.2768392704979852
Energy: 1.216128965112406
Energy: 1.2642049767871324
Energy: 1.3770978387417725
Energy: 1.2642049767877748
Energy: 1.3770978387443429
Energy: 1.2642049767871324
Energy: 1.3770978387437003
Energy: 1.2642049767871324
Energy: 1.3264590335253146
Energy: 1.329641447525284
Energy: 1.289062274774782
Energy: 1.3296414475284972
Energy: 1.3270277898843845
Energy: 1.3296414475239988
Energy: 1.2709172221657425
Energy: 1.1426158744662218
Energy: 1.1559373011079792
Energy: 1.1426158744662218
Energy: 1.1559373011086216
Energy: 1.1426158744662218
Energy: 1.1559373011079792
Energy: 1.1426158744662218

minimum gb energy = 1.1366722968037057 eV
minimum distance =  2.25399931287811 Angstroms
sigma value = 39


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

Energy: 1.1941198847917351
Energy: 1.218831323480531
Energy: 1.1941198847940104
Energy: 1.218831323480531
Energy: 1.1941198847917351
Energy: 1.218831323480531
Energy: 1.194119884793252
Energy: 1.236384498776255
Energy: 1.1230843938472375
Energy: 1.2363844987792885
Energy: 1.1230843938449622
Energy: 1.2363844987754964
Energy: 1.1230843938479957
Energy: 1.2363844987792885
Energy: 1.1869638779440355
Energy: 1.1397243052551325
Energy: 1.186963877944794
Energy: 1.1397243052536155
Energy: 1.1869638779432772
Energy: 1.1397243052551325
Energy: 1.1869638779440355
Energy: 1.2377952667784946
Energy: 1.1370504872286544
Energy: 1.2377952667800116
Energy: 1.1370504872316884
Energy: 1.23779526678077
Energy: 1.1370504872294132
Energy: 1.23779526678077
Energy: 1.2403516613671688
Energy: 1.1230499941499426
Energy: 1.240351661370961
Energy: 1.1230499941537346
Energy: 1.2403516613671688
Energy: 1.1230499941499426
Energy: 1.2403516613717194
Energy: 1.2403318780118457
Energy: 1.1231675741838005
Energy: 1.240331878014121
Energy: 1.1231675741830422
Energy: 1.2403318780118457
Energy: 1.1231675741838005
Energy: 1.240331878014121
Energy: 1.1957271908819573
Energy: 1.1410988885226836
Energy: 1.3049542179453029
Energy: 1.141098888521925
Energy: 1.2796495120939733
Energy: 1.141098888521925
Energy: 1.2373659351247748
Energy: 1.217288339885846
Energy: 1.1382726615236585
Energy: 1.2172883398903964
Energy: 1.1382726615198664
Energy: 1.2172883398850876
Energy: 1.1382726615244168
Energy: 1.2172883398903964
Energy: 1.2624532663043726
Energy: 1.123101873747708
Energy: 1.2624532663081647
Energy: 1.123101873747708
Energy: 1.262453266303614
Energy: 1.123101873747708
Energy: 1.262453266303614
Energy: 1.1935292862900695
Energy: 1.2196590112606513
Energy: 1.1935292862885527
Energy: 1.2196590112614099
Energy: 1.193529286290828
Energy: 1.2196590112606513
Energy: 1.1935292862893112
Energy: 1.2834016356915217
Energy: 1.1392947464242482
Energy: 1.283401635693797
Energy: 1.1392947464227314
Energy: 1.23664501185216
Energy: 1.13929474642349
Energy: 1.2366450118529184
Energy: 1.2009792093247968
Energy: 1.1382347645364408
Energy: 1.2009792093247968
Energy: 1.1382347645341655
Energy: 1.2009792093255554
Energy: 1.1382347645364408
Energy: 1.2009792093255554
Energy: 1.305661812935488
Energy: 1.1307087039020727
Energy: 1.3056618129385218
Energy: 1.1307087039020727
Energy: 1.3056618129347297
Energy: 1.1307087039020727
Energy: 1.3056618129385218
Energy: 1.20099954869462
Energy: 1.1385055613312027
Energy: 1.2009995486968952
Energy: 1.1385055613289277
Energy: 1.2009995486953784
Energy: 1.1385055613312027
Energy: 1.2009995486968952
Energy: 1.2817653416043857
Energy: 1.2044615699461354
Energy: 1.281765341602869
Energy: 1.2044615699476522
Energy: 1.2817653416051442
Energy: 1.204461569945377
Energy: 1.2345701564274851
Energy: 1.2009375208887638
Energy: 1.138430309308893
Energy: 1.2009375208887638
Energy: 1.138430309308893
Energy: 1.2009375208887638
Energy: 1.1384303093081345
Energy: 1.2009375208895223
Energy: 1.3057265634801871
Energy: 1.1306655133406862
Energy: 1.3057265634786703
Energy: 1.130665513338411
Energy: 1.3057265634779118
Energy: 1.1306655133406862
Energy: 1.3057265634786703
Energy: 1.2009154286393544
Energy: 1.1382052978305788
Energy: 1.2009154286416295
Energy: 1.1382052978313373
Energy: 1.2009154286416295
Energy: 1.1382052978313373
Energy: 1.2009154286416295
Energy: 1.1953270684079196
Energy: 1.142060296649623
Energy: 1.1953270684079196
Energy: 1.142060296648106
Energy: 1.1953270684064028
Energy: 1.1420602966503812
Energy: 1.1953270684041277
Energy: 1.1935127641938745
Energy: 1.2195778829735364
Energy: 1.1935127641969083
Energy: 1.2195778829705028
Energy: 1.193512764194633
Energy: 1.2195778829735364
Energy: 1.1935127641969083
Energy: 1.2628506603494005
Energy: 1.1230354084078846
Energy: 1.262850660348642
Energy: 1.1230354084094016
Energy: 1.2628506603494005
Energy: 1.1230354084078846
Energy: 1.2628506603509173
Energy: 1.217135110819787
Energy: 1.1382535177976632
Energy: 1.2171351108167532
Energy: 1.1382535177961464
Energy: 1.2171351108205453
Energy: 1.1382535177991802
Energy: 1.2171351108175117
Energy: 1.1994598892333044
Energy: 1.14156376437742
Energy: 1.1994598892348212
Energy: 1.1415637643796608
Energy: 1.1994598892340629
Energy: 1.14156376437742
Energy: 1.1994598892317878
Energy: 1.2403126046721953
Energy: 1.1231551057301101
Energy: 1.240312604673712
Energy: 1.123155105726318
Energy: 1.2403126046721953
Energy: 1.1231551057301101
Energy: 1.240312604673712
Energy: 1.2401163120718213
Energy: 1.123046551403215
Energy: 1.240116312071063
Energy: 1.123046551407007
Energy: 1.240116312071063
Energy: 1.123046551403215
Energy: 1.240116312071063
Energy: 1.2370880563275644
Energy: 1.137095070793427
Energy: 1.237088056325289
Energy: 1.1370950707949439
Energy: 1.2370880563268059
Energy: 1.137095070793427
Energy: 1.237088056325289
Energy: 1.1870540108816798
Energy: 1.139795908829251
Energy: 1.1870540108801628
Energy: 1.1397959088300096
Energy: 1.1870540108816798
Energy: 1.1397959088300096
Energy: 1.1870540108801628
Energy: 1.2363295187204968
Energy: 1.1230818293904115
Energy: 1.236329518722772
Energy: 1.12308182939117
Energy: 1.2363295187197385
Energy: 1.12308182939117
Energy: 1.2363295187235306
Energy: 1.1941198847894599
Energy: 1.218831323482048
Energy: 1.1941198847917351
Energy: 1.218831323480531
Energy: 1.1941198847894599
Energy: 1.2188313234812895
Energy: 1.1941198847917351
Energy: 1.236384498776255
Energy: 1.1230843938472375
Energy: 1.236384498782322
Energy: 1.1230843938449622
Energy: 1.2363844987770132
Energy: 1.1230843938472375
Energy: 1.2363844987815638

minimum gb energy = 1.1230354084078846 eV
minimum distance =  2.23515132825769 Angstroms
sigma value = 21


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

Energy: 1.2480123891332435
Energy: 1.2769530250065788
Energy: 1.2480123891314021
Energy: 1.2769530250084202
Energy: 1.2480123891332435
Energy: 1.2769530250056582
Energy: 1.2480123891314021
Energy: 1.1217062529354584
Energy: 1.0925376953265427
Energy: 1.121706252936379
Energy: 1.0925376953247012
Energy: 1.121706252936379
Energy: 1.0925376953265427
Energy: 1.1217062529372999
Energy: 1.2611344870749046
Energy: 1.1620394545378416
Energy: 1.2611344870721632
Energy: 1.1620394545387622
Energy: 1.2611344870749046
Energy: 1.1620394545378416
Energy: 1.2611344870721632
Energy: 1.1236037946241484
Energy: 1.0950477365412163
Energy: 1.123603794625069
Energy: 1.0950477365412163
Energy: 1.1236037946232278
Energy: 1.0950477365421372
Energy: 1.123603794625069
Energy: 1.0540444278484398
Energy: 1.1381298925615975
Energy: 1.0540444278493604
Energy: 1.1381298925625183
Energy: 1.0540444278484398
Energy: 1.1381298925615975
Energy: 1.0540444278493604
Energy: 1.067825333629097
Energy: 1.0987677719546194
Energy: 1.067825333629097
Energy: 1.0987677719536986
Energy: 1.0678253336281762
Energy: 1.0987677719546194
Energy: 1.067825333629097
Energy: 1.070692683251415
Energy: 1.156040378954683
Energy: 1.070692683251415
Energy: 1.156040378953762
Energy: 1.070692683251415
Energy: 1.1560403789555829
Energy: 1.070692683251415
Energy: 1.067837813326046
Energy: 1.0816685594287938
Energy: 1.0678378133251465
Energy: 1.0816685594287938
Energy: 1.067837813326046
Energy: 1.0816685594278732
Energy: 1.0678378133251465
Energy: 1.1153402740289062
Energy: 1.081771123244317
Energy: 1.1153402740316682
Energy: 1.081771123244317
Energy: 1.1153402740289062
Energy: 1.081771123244317
Energy: 1.1153402740316682
Energy: 1.0713771660622746
Energy: 1.1358323771020784
Energy: 1.0713771660641163
Energy: 1.1358323770956336
Energy: 1.0713771660622746
Energy: 1.1358323770956336
Energy: 1.0713771660650366
Energy: 1.0603111320114842
Energy: 1.1013873186643008
Energy: 1.0603111320105636
Energy: 1.1013873186652214
Energy: 1.0603111320124048
Energy: 1.1013873186652214
Energy: 1.0603111320114842
Energy: 1.053350616065787
Energy: 1.129320745716218
Energy: 1.0533506160667077
Energy: 1.129320745716218
Energy: 1.053350616065787
Energy: 1.129320745716218
Energy: 1.0533506160667077
Energy: 1.1068066321160344
Energy: 1.0854483950726197
Energy: 1.1068066321160344
Energy: 1.0854483950726197
Energy: 1.1068066321160344
Energy: 1.0854483950726197
Energy: 1.1068066321160344
Energy: 1.1631152697189295
Energy: 1.1625719880958842
Energy: 1.1631152697189295
Energy: 1.162571988102308
Energy: 1.1631152697189295
Energy: 1.1625719880977046
Energy: 1.1631152697189295
Energy: 1.1199292866645345
Energy: 1.100567906123606
Energy: 1.1199292866663757
Energy: 1.1005679061217646
Energy: 1.119929286665455
Energy: 1.100567906123606
Energy: 1.1199292866663757
Energy: 1.2387658172193163
Energy: 1.2120597974933562
Energy: 1.2387658172239198
Energy: 1.2120597974951766
Energy: 1.2387658172183955
Energy: 1.2120597974924354
Energy: 1.2387658172193163
Energy: 1.1453708804370966
Energy: 1.1058378168175507
Energy: 1.1453708804370966
Energy: 1.105837816813868
Energy: 1.1453708804352554
Energy: 1.105837816813868
Energy: 1.1453708804352554
Energy: 1.1631323262470756
Energy: 1.1625430349382582
Energy: 1.1631323262479965
Energy: 1.1625430349465236
Energy: 1.1631323262470756
Energy: 1.162543034951127
Energy: 1.1631323262470756
Energy: 1.143601216907128
Energy: 1.1006638927693493
Energy: 1.143601216907128
Energy: 1.1006638927693493
Energy: 1.143601216907128
Energy: 1.100663892768429
Energy: 1.143601216907128
Energy: 1.0533350143679185
Energy: 1.0932487663497548
Energy: 1.053335014366998
Energy: 1.0932487663506754
Energy: 1.0533350143679185
Energy: 1.0932487663497548
Energy: 1.0533350143679185
Energy: 1.1053608135331496
Energy: 1.170579294844912
Energy: 1.1053608135340702
Energy: 1.170579294845833
Energy: 1.1053608135322288
Energy: 1.170579294844912
Energy: 1.1053608135340702
Energy: 1.0748425516722193
Energy: 1.1566813458632448
Energy: 1.0748425516694573
Energy: 1.1566813458641654
Energy: 1.0748425516712987
Energy: 1.1566813458632448
Energy: 1.0748425516694573
Energy: 1.1383921992255652
Energy: 1.100647966995568
Energy: 1.1383921992255652
Energy: 1.1006479669946472
Energy: 1.1383921992255652
Energy: 1.1006479669946472
Energy: 1.1383921992255652
Energy: 1.1177490205145706
Energy: 1.0921912800217701
Energy: 1.1177490205136498
Energy: 1.0921912800208493
Energy: 1.1177490205145706
Energy: 1.0921912800217701
Energy: 1.1177490205136498
Energy: 1.1008818736993922
Energy: 1.1559454136569594
Energy: 1.1008818736984716
Energy: 1.1559454136532763
Energy: 1.1008818736984716
Energy: 1.1559454136569594
Energy: 1.1008818736984716

minimum gb energy = 1.053335014366998 eV
minimum distance =  2.28116283202178 Angstroms
sigma value = 113


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

Energy: 1.0524266592831157
Energy: 1.10227755326425
Energy: 1.0524266592820883
Energy: 1.102277553251918
Energy: 1.0524266592810603
Energy: 1.1022775532596256
Energy: 1.0524266592805467
Energy: 1.0149989491046048
Energy: 0.9570477464147733
Energy: 1.0149989491010079
Energy: 0.9570477464096349
Energy: 1.0149989491046048
Energy: 0.9570477464137456
Energy: 1.0149989490999802
Energy: 1.0285172183274436
Energy: 0.9936271698790023
Energy: 1.0285172183253883
Energy: 0.9936271698748917
Energy: 1.0285172183274436
Energy: 0.9936271698790023
Energy: 1.0285172183253883
Energy: 0.9720209874051028
Energy: 0.970993260585739
Energy: 0.972020987400478
Energy: 0.970993260585739
Energy: 0.9720209874066441
Energy: 0.970993260585739
Energy: 0.972020987400478
Energy: 0.9897648742532887
Energy: 1.0279155295444726
Energy: 0.9897648742573993
Energy: 1.0279155295449864
Energy: 0.9897648742538027
Energy: 1.0279155295424174
Energy: 0.9897648742573993
Energy: 0.9650560635504284
Energy: 0.9558452499051862
Energy: 0.9650560635514559
Energy: 0.9558452499015893
Energy: 0.9650560635499145
Energy: 0.9558452499046725
Energy: 0.9650560635519699
Energy: 0.9805141976297478
Energy: 0.9809734238428923
Energy: 0.9805141976307755
Energy: 0.9809734238454147
Energy: 0.9805141976297478
Energy: 0.9809734238218252
Energy: 0.9805141976312894
Energy: 0.9680463224633714
Energy: 0.939154152604746
Energy: 0.9680463224623904
Energy: 0.9391541526021769
Energy: 0.9680463224629041
Energy: 0.9391541526057738
Energy: 0.9680463224623904
Energy: 0.9601928070922138
Energy: 0.9720666569669152
Energy: 0.9601928070870753
Energy: 0.9720666569669152
Energy: 0.9601928070870753
Energy: 0.9720666569674291
Energy: 0.9601928070870753
Energy: 0.9728022126511232
Energy: 0.9223765672286764
Energy: 0.9728022126500956
Energy: 0.9223765672276486
Energy: 0.9728022126506095
Energy: 0.9223765672286764
Energy: 0.9728022126495817
Energy: 0.9519179956948172
Energy: 0.9390524024465207
Energy: 0.951917995695331
Energy: 0.9390524024475482
Energy: 0.9519179956948172
Energy: 0.9390524024460067
Energy: 0.9519179956948172
Energy: 0.9868915296371816
Energy: 0.9508639349541841
Energy: 0.986891529633071
Energy: 0.950863934951615
Energy: 0.9868915296376956
Energy: 0.9508639349541841
Energy: 0.9868915296335847
Energy: 0.901550728246376
Energy: 0.9879547875825649
Energy: 0.9015507282396962
Energy: 0.9879547875815372
Energy: 0.901550728246376
Energy: 0.9879547875825649
Energy: 0.90155072824021
Energy: 0.9537421238306838
Energy: 0.9210504269778113
Energy: 0.9537421238322253
Energy: 0.9210504269778113
Energy: 0.9537421238296562
Energy: 0.9210504269793528
Energy: 0.9537421238306838
Energy: 0.9409228614960656
Energy: 0.9123878475130208
Energy: 0.940922861498635
Energy: 0.9123878475181593
Energy: 0.9409228614960656
Energy: 0.9123878475109654
Energy: 0.9409228614981211
Energy: 1.0066599334642066
Energy: 0.990175790396841
Energy: 1.0066599334642066
Energy: 0.9901757903988496
Energy: 1.0066599334652344
Energy: 0.9901757904019326
Energy: 1.0066599334642066
Energy: 0.9012951712228482
Energy: 0.9205615696336197
Energy: 0.9012951712233619
Energy: 0.920561569635675
Energy: 0.901295171220279
Energy: 0.9205615696336197
Energy: 0.9012951712213068
Energy: 0.9650985346873138
Energy: 0.936719379138523
Energy: 0.9650985346852584
Energy: 0.9367193791462305
Energy: 0.9650985346868
Energy: 0.9367193791390367
Energy: 0.9650985346857721
Energy: 0.9544133379966933
Energy: 0.9148372252970933
Energy: 0.9544133379982348
Energy: 0.9148372252924688
Energy: 0.9544133379961794
Energy: 0.9148372252976071
Energy: 0.9544133379982348
Energy: 0.9599857723321534
Energy: 0.9950809146101828
Energy: 0.959985772333181
Energy: 0.995080914613266
Energy: 0.9599857723321534
Energy: 0.9950809146091553
Energy: 0.9599857723342088
Energy: 0.955413055396872
Energy: 0.9204288339957477
Energy: 0.9554130553917336
Energy: 0.9204288339947202
Energy: 0.955413055394303
Energy: 0.9204288339962616
Energy: 0.9554130553958443
Energy: 0.9865011407262826
Energy: 0.9565698715773553
Energy: 0.9865011407257687
Energy: 0.9565698715732447
Energy: 0.9865011407257687
Energy: 0.9565698715768416
Energy: 0.986501140725255
Energy: 0.9597250942651376
Energy: 0.974490217214671
Energy: 0.9597250942692482
Energy: 0.9744902172085049
Energy: 0.9597250942646237
Energy: 0.9744902172141572
Energy: 0.9597250942687345
Energy: 0.9623415819239169
Energy: 1.02426090409792
Energy: 0.9623415819249446
Energy: 1.024260904126181
Energy: 0.9623415819249446
Energy: 1.02426090412875
Energy: 0.9623415819239169
Energy: 0.9438366196250435
Energy: 0.9682573526005577
Energy: 0.943836619642514
Energy: 0.9682573525974746
Energy: 0.9438366196805377
Energy: 0.9682573526005577
Energy: 0.9438366196466247
Energy: 1.0194894166294826
Energy: 0.964433639621864
Energy: 1.01948941663719
Energy: 0.9644336396192947
Energy: 1.0194894166402262
Energy: 0.9644336396208364
Energy: 1.019489416641254
Energy: 1.0189950947316595
Energy: 0.95673011026235
Energy: 1.0189950947332012
Energy: 0.9567301102515596
Energy: 1.0189950947316595
Energy: 0.9567301102638917
Energy: 1.0189950947316595
Energy: 1.0413378986450843
Energy: 1.0684388649613257
Energy: 1.041337898644057
Energy: 1.0684388647805496
Energy: 1.0413378986455983
Energy: 1.0684388650394285
Energy: 1.041337898644057
Energy: 1.0776570663255725
Energy: 0.9576987498303882
Energy: 1.0776570662978255
Energy: 0.9576987498339851
Energy: 1.0776570663250589
Energy: 0.9576987498303882
Energy: 1.0776570663142684
Energy: 1.0095725848218415
Energy: 0.9643214775460847
Energy: 1.0095725848208137
Energy: 0.964321477545571
Energy: 1.0095725848192725
Energy: 0.9643214775445433
Energy: 1.0095725848233832
Energy: 0.9771721605054884
Energy: 1.112933976803721
Energy: 0.9771721605049745
Energy: 1.1129339768057764
Energy: 0.9771721605013777
Energy: 1.1129339768047486
Energy: 0.9771721605316471
Energy: 0.9632812730922722
Energy: 0.998011997499933
Energy: 0.9632812730917583
Energy: 0.998011997502502
Energy: 0.9632812730886753
Energy: 0.9980119974983914
Energy: 0.9632812730922722
Energy: 1.0403637305884454
Energy: 0.9550153826362032
Energy: 1.0403637305935836
Energy: 0.9550153826372308
Energy: 1.040363730585876
Energy: 0.9550153826362032
Energy: 1.0403637305920421
Energy: 0.9717025735243994
Energy: 0.9626328596723446
Energy: 0.9717025735233717
Energy: 0.9626328596713167
Energy: 0.9717025735238857
Energy: 0.9626328596728584
Energy: 0.971702573522858
Energy: 0.9702273671370251
Energy: 1.0583819694690602
Energy: 0.9702273671365113
Energy: 1.0583819694685463
Energy: 0.9702273671370251
Energy: 1.0583819694690602
Energy: 0.9702273671365113
Energy: 0.9347566807358549
Energy: 0.9901782989856723
Energy: 0.9347566807389379
Energy: 0.9901782989881949
Energy: 0.9347566807363688
Energy: 0.9901782989856723
Energy: 0.934756680741507
Energy: 0.9405137563798066
Energy: 0.9211433184605132
Energy: 0.9405137563864866
Energy: 0.9211433184589718
Energy: 0.9405137563808345
Energy: 0.9211433184605132
Energy: 0.9405137563854588
Energy: 0.9605386764389945
Energy: 0.9180534236912692
Energy: 0.9605386764400223
Energy: 0.9180534236892138
Energy: 0.9605386764415639
Energy: 0.918053423691783
Energy: 0.9605386764400223
Energy: 0.9473129765860027
Energy: 0.9693583000245655
Energy: 0.9473129765865164
Energy: 0.9693583000230239
Energy: 0.9473129765865164
Energy: 0.969358300025593
Energy: 0.9473129765860027
Energy: 0.901373177320307
Energy: 1.0021589607758643
Energy: 0.9013731773213345
Energy: 1.0021589607753507
Energy: 0.9013731773208207
Energy: 1.0021589607774062
Energy: 0.9013731773218485
Energy: 0.9405846948449691
Energy: 0.9199301621857929
Energy: 0.9405846948470244
Energy: 0.9199301621868208
Energy: 0.9405846948449691
Energy: 0.9199301621852792
Energy: 0.9405846948459966
Energy: 0.9454294110752537
Energy: 0.9125282137083461
Energy: 0.9454294110731982
Energy: 0.9125282137145122
Energy: 0.9454294110752537
Energy: 0.9125282137073185
Energy: 0.9454294110731982
Energy: 0.933298784408331
Energy: 0.9881464135465948
Energy: 0.9332987844093588
Energy: 0.9881464135429979
Energy: 0.9332987844098726
Energy: 0.9881464135455673
Energy: 0.9332987844093588
Energy: 0.9021957391040863
Energy: 0.9195863807427782
Energy: 0.9021957391046
Energy: 0.9195863807412367
Energy: 0.9021957391051139
Energy: 0.9195863807422643
Energy: 0.9021957391046
Energy: 0.9322104174639835
Energy: 0.9342881231290348
Energy: 0.9322104174691218
Energy: 0.9342881231238965
Energy: 0.9322104174644973
Energy: 0.9342881231290348
Energy: 0.9322104174680942

minimum gb energy = 0.901295171220279 eV
minimum distance =  2.26929264736619 Angstroms
sigma value = 365


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

Energy: 0.39983987315766034
Energy: 0.32256765825588923
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825588923
Energy: 0.39983987315766034
Energy: 1.8959632503460766
Energy: 1.060685376245998
Energy: 1.895963198744994
Energy: 1.060685376245998
Energy: 1.8959652472775945
Energy: 1.0606853762413642
Energy: 1.8959762274769207
Energy: 0.39983987315766034
Energy: 0.3225676582535722
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.3998398731565019
Energy: 0.3225676582535722
Energy: 0.39983987315766034
Energy: 1.9983923754265336
Energy: 1.0606853762402058
Energy: 1.9983955219620442
Energy: 1.0606853762402058
Energy: 1.8959635692860466
Energy: 1.0606853762402058
Energy: 1.8959604662596123
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 1.9293717991546664
Energy: 1.060685376245998
Energy: 1.89598048353038
Energy: 1.0606853762471566
Energy: 1.8959786153844949
Energy: 1.060685376245998
Energy: 1.8959861618036442
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 1.8959781332203616
Energy: 1.060685376245998
Energy: 1.8959843287702756
Energy: 1.0606853762448396
Energy: 1.8959902624192329
Energy: 1.0606853762448396
Energy: 1.8959949107225482
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 1.8959597578292857
Energy: 1.060685376245998
Energy: 1.8959615313710398
Energy: 1.0606853762448396
Energy: 1.8959654002639954
Energy: 1.060685376245998
Energy: 1.8959761075730766
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.3225676582535722
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 1.895989954235824
Energy: 1.0606853762402058
Energy: 1.8959954816719196
Energy: 1.060685376245998
Energy: 1.8959989101959989
Energy: 1.0606853762448396
Energy: 1.8960009501351722
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315881886
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 1.8959980719679828
Energy: 1.0606853762425226
Energy: 1.8960007214372039
Energy: 1.0606853762413642
Energy: 1.8960031993713777
Energy: 1.060685376245998
Energy: 1.8960052252618427
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.3998398731565019
Energy: 0.3225676582535722
Energy: 0.39983987315766034
Energy: 1.8959754179658568
Energy: 1.060685376245998
Energy: 1.8959859565861983
Energy: 1.0606853762413642
Energy: 1.8959903452489528
Energy: 1.0606853762413642
Energy: 1.8959946958822147
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315881886
Energy: 1.8960027713964471
Energy: 1.0606853762413642
Energy: 1.8960038983640979
Energy: 1.0606853762425226
Energy: 1.896005367984994
Energy: 1.0606853762413642
Energy: 1.8960067769250197
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.3998398731565019
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 0.32256765825473066
Energy: 0.39983987315766034
Energy: 1.8960054998230693
Energy: 1.060685376245998
Energy: 1.8960063164824073
Energy: 1.0606853762402058
Energy: 1.8960066818020904
Energy: 1.060685376245998
Energy: 1.8960061092697578

minimum gb energy = 0.3225676582535722 eV
minimum distance =  2.25543611169664 Angstroms
sigma value = 23