Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
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=2.863657325506211
cohesive_energy=4.29033744093271
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: 0.016182212480163733
Energy: 0.16822675960277358
Energy: 0.016182212480163733
Energy: 0.1682267596023655
Energy: 0.016182212480163733
Energy: 0.1682267596023655
Energy: 0.016182212480163733
Energy: 0.016754814742859177
Energy: 0.6301150514111611
Energy: 0.01675481474326723
Energy: 0.6301150514111611
Energy: 0.016754814742859177
Energy: 0.6301150514111611
Energy: 0.016754814742859177
Energy: 0.482445682919816
Energy: 0.5614810682281488
Energy: 0.48244568291945333
Energy: 0.5614810682281488
Energy: 0.48244568291945333
Energy: 0.5614810682281488
Energy: 0.482445682919816
Energy: 0.01675481474326723
Energy: 0.630115051410753
Energy: 0.016754814742496463
Energy: 0.6301150514111611
Energy: 0.016754814742859177
Energy: 0.6301150514111611
Energy: 0.01675481474326723
Energy: 0.016182212480163733
Energy: 0.1682267596023655
Energy: 0.016182212480163733
Energy: 0.1682267596023655
Energy: 0.016182212480163733
Energy: 0.1682267596023655
Energy: 0.016182212480163733
Energy: 0.01675481474326723
Energy: 0.630115051410753
Energy: 0.016754814742859177
Energy: 0.6301150514111611
Energy: 0.01675481474326723
Energy: 0.6301150514111611
Energy: 0.01675481474326723

minimum gb energy = 0.016182212480163733 eV
minimum distance =  2.47643576455113 Angstroms
sigma value = 5


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

Energy: 1.2895991872473869
Energy: 1.2646142552687685
Energy: 1.2895991872459245
Energy: 1.2646142552668187
Energy: 1.2895991872473869
Energy: 1.2646142552658437
Energy: 1.289599187245437
Energy: 1.2406241563563978
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Energy: 1.2062048767018263
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Energy: 1.1367617356908692
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Energy: 1.2380815502833509
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Energy: 1.148110462016355
Energy: 1.1889529766209923
Energy: 1.1481104620153801
Energy: 1.1889529766219673
Energy: 1.1481104620158675
Energy: 1.1889529766224547
Energy: 1.2414413753543008
Energy: 1.2063485843210449
Energy: 1.2414413753538134
Energy: 1.2063485843215322
Energy: 1.241441375352351
Energy: 1.2063485843210449
Energy: 1.241441375353326
Energy: 1.2047622906134785
Energy: 1.2206017584405546
Energy: 1.2047622906149407
Energy: 1.2206017584405546
Energy: 1.204762290613966
Energy: 1.220601758442017
Energy: 1.2047622906125035
Energy: 1.171953503409421
Energy: 1.1830614446286836
Energy: 1.1719535034108832
Energy: 1.1830614446296586
Energy: 1.1719535034103958
Energy: 1.1830614446277088
Energy: 1.1719535034113708
Energy: 1.1633027003937042
Energy: 1.1780681517944633
Energy: 1.1633027003932166
Energy: 1.1780681517934886
Energy: 1.163302700394679
Energy: 1.1780681517944633
Energy: 1.1633027003917542
Energy: 1.1566756810439394
Energy: 1.1955390545242983
Energy: 1.1566756810444268
Energy: 1.1955390545223485
Energy: 1.1566756810434518
Energy: 1.1955390545233233
Energy: 1.1566756810439394

minimum gb energy = 1.1209147086354503 eV
minimum distance =  2.31296238788632 Angstroms
sigma value = 401


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

Energy: 1.2889123424610018
Energy: 1.2746575344946849
Energy: 1.2889123424610018
Energy: 1.2746575344924718
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Energy: 1.179544584430527
Energy: 1.2481931894121017
Energy: 1.1795445844321868
Energy: 1.179704403092235
Energy: 1.2483919123570133
Energy: 1.1797044030927881
Energy: 1.2483919123548002
Energy: 1.179704403092235
Energy: 1.2483919123553535
Energy: 1.179704403091682
Energy: 1.13264292844858
Energy: 1.2729159768141847
Energy: 1.1326429284469202
Energy: 1.2729159768152911
Energy: 1.1326429284502397
Energy: 1.2729159768152911
Energy: 1.1326429284496866
Energy: 1.1331714270223792
Energy: 1.3188303541595927
Energy: 1.1331714270207194
Energy: 1.318830354160146
Energy: 1.133171427021826
Energy: 1.3188303541618058
Energy: 1.133171427021826
Energy: 1.1771056162628262
Energy: 1.1953584704487965
Energy: 1.1771056162595062
Energy: 1.1953584704482434
Energy: 1.177105616260613
Energy: 1.1953584704493496
Energy: 1.1771056162611662
Energy: 1.1766948476334391
Energy: 1.2159969924931169
Energy: 1.1766948476323325
Energy: 1.2159969924936702
Energy: 1.1766948476323325
Energy: 1.215996992491457
Energy: 1.176694847629566
Energy: 1.2889123424610018
Energy: 1.2746575344930249
Energy: 1.2889123424582354
Energy: 1.2746575344924718
Energy: 1.2889123424598952
Energy: 1.2746575344908118
Energy: 1.2889123424598952
Energy: 1.132881275714945
Energy: 1.1894346029744247
Energy: 1.1328812757132851
Energy: 1.189434602973318
Energy: 1.1328812757143913
Energy: 1.1894346029760845
Energy: 1.1328812757121784

minimum gb energy = 1.1326429284469202 eV
minimum distance =  2.32206554082363 Angstroms
sigma value = 311


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

Energy: 1.1911730422241456
Energy: 1.2270508940593237
Energy: 1.2518452770080308
Energy: 1.2639406156814934
Energy: 1.1911730422235065
Energy: 1.2270508940599623
Energy: 1.251845277007392
Energy: 1.1517108678256929
Energy: 1.1492149746396358
Energy: 1.2086316063211155
Energy: 1.151287940284357
Energy: 1.1517108678263317
Energy: 1.1492149746408848
Energy: 1.2086316063198377
Energy: 1.1619928437961382
Energy: 1.1653155442146481
Energy: 1.1620919800403324
Energy: 1.165472272181943
Energy: 1.1619928437961382
Energy: 1.1653155442140093
Energy: 1.1620919800390546
Energy: 1.2319511231949496
Energy: 1.2276479389625603
Energy: 1.1917040736564941
Energy: 1.227647938965116
Energy: 1.2319511231949496
Energy: 1.227647938952977
Energy: 1.1917040736571332
Energy: 1.2785799780005178
Energy: 1.264162828251169
Energy: 1.2787583395160742
Energy: 1.2641628282518078
Energy: 1.2785799780005178
Energy: 1.2641628282518078
Energy: 1.2787583395160742
Energy: 1.1541510343643402
Energy: 1.3017712008943947
Energy: 1.1541510343643402
Energy: 1.3293250136104713
Energy: 1.1541510343643402
Energy: 1.3017712008937556
Energy: 1.1541510343649792
Energy: 1.1649716195925224
Energy: 1.2789110081414385
Energy: 1.1649716195925224
Energy: 1.2777680813153949
Energy: 1.1649716195925224
Energy: 1.2789110081407995
Energy: 1.1649716195925224
Energy: 1.2514814365899982
Energy: 1.2635017058004694
Energy: 1.2514814365899982
Energy: 1.2635017058011084
Energy: 1.2514814365899982
Energy: 1.2635017058011084
Energy: 1.2514814365893594
Energy: 1.2512205644186694
Energy: 1.2688505553580984
Energy: 1.2512205644186694
Energy: 1.2688505553574594
Energy: 1.2512205644180303
Energy: 1.2688505553574594
Energy: 1.2512205644186694
Energy: 1.148789997296698
Energy: 1.2343232654965595
Energy: 1.148762148526581
Energy: 1.2343953388437214
Energy: 1.1487899972973368
Energy: 1.2343232654959204
Energy: 1.148762148526581
Energy: 1.1516828044543443
Energy: 1.2542727323754648
Energy: 1.1516722085077054
Energy: 1.2542825216950029
Energy: 1.1516828044530667
Energy: 1.254272732374826
Energy: 1.1516722085070663
Energy: 1.2656747903528924
Energy: 1.2265112989867104
Energy: 1.2656747903516146
Energy: 1.2265112989867104
Energy: 1.2656747903516146
Energy: 1.2265112989873492
Energy: 1.2656747903516146
Energy: 1.2616522810421487
Energy: 1.2247355252198981
Energy: 1.2616522810415098
Energy: 1.2247355252192593
Energy: 1.2616522810415098
Energy: 1.2247355252198981
Energy: 1.2616522810421487
Energy: 1.1453934149714358
Energy: 1.1749972371220376
Energy: 1.1453934149720746
Energy: 1.1749972371220376
Energy: 1.1453934149714358
Energy: 1.1749972371220376
Energy: 1.1453934149707972
Energy: 1.247951921820117
Energy: 1.2986528683683345
Energy: 1.2479519218213948
Energy: 1.298400948285674
Energy: 1.247951921820117
Energy: 1.2986528683683345
Energy: 1.247951921820117
Energy: 1.1909783117315098
Energy: 1.2183614354713908
Energy: 1.1909783117309
Energy: 1.218361435470752
Energy: 1.190978311730261
Energy: 1.2183614354713908
Energy: 1.1909783117309
Energy: 1.1613394707405407
Energy: 1.196979449376086
Energy: 1.1613394707399016
Energy: 1.1969540216941885
Energy: 1.1613394707405407
Energy: 1.1969794493767247
Energy: 1.1613394707399016
Energy: 1.1663270552798124
Energy: 1.2288869976138175
Energy: 1.1662220391827551
Energy: 1.2243429511387658
Energy: 1.1663270552791736
Energy: 1.2288869976138175
Energy: 1.1662220391821163
Energy: 1.2821048185394415
Energy: 1.2927220500686911
Energy: 1.2821048185400803
Energy: 1.3479615633640054
Energy: 1.2821048185394415
Energy: 1.2927220500693297
Energy: 1.2821048185400803
Energy: 1.2510173222266545
Energy: 1.3040069528480487
Energy: 1.2510173222260157
Energy: 1.320226082340277
Energy: 1.2510173222260157
Energy: 1.3040069528499654
Energy: 1.2510173222266545
Energy: 1.1609511179272842
Energy: 1.157314496870767
Energy: 1.1609511179272842
Energy: 1.157314496870767
Energy: 1.1609511179266454
Energy: 1.157314496870767
Energy: 1.1609511179266454
Energy: 1.1658657881818464
Energy: 1.250825236915184
Energy: 1.1658657881824852
Energy: 1.250825236915184
Energy: 1.1658657881824852
Energy: 1.2508252369158228
Energy: 1.1658657881818464
Energy: 1.251060403318389
Energy: 1.2182769660622574
Energy: 1.308592034686138
Energy: 1.2510856614904315
Energy: 1.251060403318389
Energy: 1.2182769660622574
Energy: 1.3085920346854991
Energy: 1.2336272731325528
Energy: 1.2862521730274048
Energy: 1.286496798808966
Energy: 1.3068218722567821
Energy: 1.2336272731319142
Energy: 1.2862521730235714
Energy: 1.2864967988083273
Energy: 1.1620778042990252
Energy: 1.1518964256855586
Energy: 1.1619043430626277
Energy: 1.1519684802526915
Energy: 1.162077804299664
Energy: 1.1518964256855586
Energy: 1.1619043430632665
Energy: 1.258444228572124
Energy: 1.264127235932348
Energy: 1.2580384915271954
Energy: 1.260779514361838
Energy: 1.2584442285714852
Energy: 1.2641272359317093
Energy: 1.2580384915284732
Energy: 1.3156530852065196
Energy: 1.263550669744003
Energy: 1.3150042573660856
Energy: 1.2635506697433645
Energy: 1.3156530852077974
Energy: 1.2635506697427257
Energy: 1.3150042573660856
Energy: 1.2066097559341336
Energy: 1.3010687655818587
Energy: 1.2066097559334945
Energy: 1.326188092005281
Energy: 1.2066097559328557
Energy: 1.3010687655824973
Energy: 1.2066097559328557
Energy: 1.1570004168698558
Energy: 1.1647720702452382
Energy: 1.157000416868578
Energy: 1.1647720702445994
Energy: 1.1570004168692167
Energy: 1.1647720702445994
Energy: 1.1570004168698558
Energy: 1.2336185536482005
Energy: 1.2691930678914272
Energy: 1.2336185536475617
Energy: 1.2691930678914272
Energy: 1.2336185536475617
Energy: 1.2691930678914272
Energy: 1.2336185536475617
Energy: 1.2511622536963685
Energy: 1.2679026272694705
Energy: 1.2511622536963685
Energy: 1.2679026272694705
Energy: 1.2511622536970073
Energy: 1.2679026272694705
Energy: 1.2511622536970073
Energy: 1.1529725656281937
Energy: 1.2463402582454053
Energy: 1.1529541845469027
Energy: 1.2463214420433206
Energy: 1.1529725656281937
Energy: 1.2463402582441274
Energy: 1.1529541845469027
Energy: 1.1506261318620183
Energy: 1.1754440193556523
Energy: 1.1506197304176302
Energy: 1.1687380784200794
Energy: 1.1506261318620183
Energy: 1.1754440193562914
Energy: 1.1506197304169914
Energy: 1.268366325606295
Energy: 1.3091844318172892
Energy: 1.2683663256075728
Energy: 1.3091844318179282
Energy: 1.268366325606934
Energy: 1.3091844318179282
Energy: 1.2683663256088507
Energy: 1.3571607896999578
Energy: 1.3094790422225515
Energy: 1.357258098018266
Energy: 1.3094924468507803
Energy: 1.3571607896999578
Energy: 1.3094790422225515
Energy: 1.3572580980169882
Energy: 1.155688981059984
Energy: 1.1647189242318199
Energy: 1.1556889810593451
Energy: 1.164718924231181
Energy: 1.1556889810593451
Energy: 1.1647189242305422
Energy: 1.155688981059984

minimum gb energy = 1.1453934149707972 eV
minimum distance =  2.24457130601661 Angstroms
sigma value = 39


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

Energy: 1.18885658992623
Energy: 1.2280937667744114
Energy: 1.188856589927738
Energy: 1.2280937667744114
Energy: 1.188856589926984
Energy: 1.2280937667744114
Energy: 1.188856589927738
Energy: 1.2344037994637587
Energy: 1.0958427869862613
Energy: 1.2344037994630044
Energy: 1.0958427869855072
Energy: 1.2344037994630044
Energy: 1.0958427869862613
Energy: 1.2344037994637587
Energy: 1.1522004189757773
Energy: 1.1287365552426616
Energy: 1.1522004189765311
Energy: 1.1287365552419075
Energy: 1.1522004189757773
Energy: 1.1287365552426616
Energy: 1.1522004189750232
Energy: 1.247830532544208
Energy: 1.0956408465834517
Energy: 1.2478305325449621
Energy: 1.0956408465834517
Energy: 1.247830532544208
Energy: 1.0956408465842056
Energy: 1.2478305325449621
Energy: 1.2306567029523106
Energy: 1.096565677652482
Energy: 1.2306567029530646
Energy: 1.096565677652482
Energy: 1.2306567029530646
Energy: 1.096565677651728
Energy: 1.2306567029538185
Energy: 1.2477324192222012
Energy: 1.1513762807677963
Energy: 1.247732419222955
Energy: 1.1513762807670422
Energy: 1.2477324192214472
Energy: 1.1513762807670422
Energy: 1.2477324192206933
Energy: 1.2820585106733475
Energy: 1.1930481619231252
Energy: 1.2820585106620375
Energy: 1.1930481619238793
Energy: 1.2820585106673155
Energy: 1.1930481619238793
Energy: 1.2820585106695774
Energy: 1.2167168615812676
Energy: 1.157061994295471
Energy: 1.2167168615819872
Energy: 1.157061994295471
Energy: 1.2167168615827413
Energy: 1.1570619942939628
Energy: 1.2167168615827413
Energy: 1.2524132715496503
Energy: 1.1573684765727053
Energy: 1.2524132715504042
Energy: 1.1573684765727053
Energy: 1.2524132715504042
Energy: 1.1573684765719512
Energy: 1.2524132715504042
Energy: 1.1542064179260403
Energy: 1.2032130805296415
Energy: 1.1542064179252864
Energy: 1.2032130805288874
Energy: 1.1542064179267943
Energy: 1.2032130805273795
Energy: 1.1542064179260403
Energy: 1.2365138306415646
Energy: 1.197060840008531
Energy: 1.2365138306423185
Energy: 1.1970608400092848
Energy: 1.2365138306415646
Energy: 1.197060840008531
Energy: 1.2365138306400567
Energy: 1.1516495741991486
Energy: 1.095803210742373
Energy: 1.1516495742006567
Energy: 1.0958032107438809
Energy: 1.1516495741991486
Energy: 1.0958032107438809
Energy: 1.1516495741991486
Energy: 1.18774780406626
Energy: 1.1118582423140582
Energy: 1.1877478040655056
Energy: 1.1118582423148122
Energy: 1.187747804067014
Energy: 1.1118582423148122
Energy: 1.1877478040655056
Energy: 1.1547361763767385
Energy: 1.0960916359405932
Energy: 1.1547361763767385
Energy: 1.0960916359405932
Energy: 1.1547361763767385
Energy: 1.0960916359405932
Energy: 1.1547361763774926
Energy: 1.2630933472820447
Energy: 1.1590785161699249
Energy: 1.2630933472812904
Energy: 1.1590785161691708
Energy: 1.2630933472812904
Energy: 1.1590785161684167
Energy: 1.2630933472820447
Energy: 1.1545694760043863
Energy: 1.150650715465178
Energy: 1.1545694760043863
Energy: 1.150650715465178
Energy: 1.1545694760043863
Energy: 1.150650715465178
Energy: 1.1545694760043863
Energy: 1.2660808800051702
Energy: 1.1569834545506468
Energy: 1.2660808801559036
Energy: 1.1569834545506468
Energy: 1.2660808800142185
Energy: 1.1569834545506468
Energy: 1.26608087999763
Energy: 1.2137257070459386
Energy: 1.1567946389244017
Energy: 1.2137257070482008
Energy: 1.1567946389244017
Energy: 1.2137257070474468
Energy: 1.1567946389236479
Energy: 1.2137257070466927
Energy: 1.1732787323400855
Energy: 1.186667685752932
Energy: 1.1732787324365648
Energy: 1.1866676857521778
Energy: 1.1732787323280558
Energy: 1.186667685753686
Energy: 1.1732787324011607
Energy: 1.1540268173499173
Energy: 1.1981338272799014
Energy: 1.1540268173491632
Energy: 1.1981338272799014
Energy: 1.1540268173491632
Energy: 1.1981338272799014
Energy: 1.1540268173499173
Energy: 1.2293422544639578
Energy: 1.0960217225730802
Energy: 1.229342254464712
Energy: 1.0960217225738342
Energy: 1.2293422544632038
Energy: 1.0960217225745883
Energy: 1.2293422544639578
Energy: 1.1526259375906567
Energy: 1.095559248702584
Energy: 1.1526259375899026
Energy: 1.095559248702584
Energy: 1.1526259375906567
Energy: 1.095559248702584
Energy: 1.1526259375906567
Energy: 1.2285638875221176
Energy: 1.1313888751407295
Energy: 1.2285638875228715
Energy: 1.1313888751414833
Energy: 1.2285638875228715
Energy: 1.1313888751414833
Energy: 1.2285638875213636
Energy: 1.232483995990904
Energy: 1.095225432457888
Energy: 1.232483995990904
Energy: 1.095225432457888
Energy: 1.2324839959924119
Energy: 1.0952254324593964
Energy: 1.2324839959916578
Energy: 1.247815049729384
Energy: 1.1523714240186593
Energy: 1.247815049729384
Energy: 1.1523714240186593
Energy: 1.2478150497301381
Energy: 1.1523714240186593
Energy: 1.2478150497301381
Energy: 1.2353339950177815
Energy: 1.1549352907084565
Energy: 1.2353339950162734
Energy: 1.1549352907077026
Energy: 1.2353339950177815
Energy: 1.1549352907077026
Energy: 1.2353339950185356
Energy: 1.2131088892734578
Energy: 1.1813631502429354
Energy: 1.2131088892727038
Energy: 1.1813631502436892
Energy: 1.2131088892727038
Energy: 1.1813631502429354
Energy: 1.2131088892719497
Energy: 1.234419948252179
Energy: 1.1584147544388537
Energy: 1.234419948252179
Energy: 1.1584147544403616
Energy: 1.234419948252179
Energy: 1.1584147544396075
Energy: 1.234419948252933
Energy: 1.188856589926984
Energy: 1.2280937667744114
Energy: 1.188856589926984
Energy: 1.2280937667744114
Energy: 1.18885658992623
Energy: 1.2280937667744114
Energy: 1.188856589927738
Energy: 1.2344037994630044
Energy: 1.0958427869862613
Energy: 1.2344037994630044
Energy: 1.0958427869855072
Energy: 1.2344037994630044
Energy: 1.0958427869862613
Energy: 1.2344037994630044

minimum gb energy = 1.095225432457888 eV
minimum distance =  2.28397772723215 Angstroms
sigma value = 21


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

Energy: 1.1383670966836648
Energy: 1.1244484924413525
Energy: 1.1383670966845802
Energy: 1.1244484924413525
Energy: 1.1383670966836648
Energy: 1.1244484924413525
Energy: 1.1383670966836648
Energy: 1.1053640034419159
Energy: 1.0657228154297487
Energy: 1.105364003499561
Energy: 1.0657228154297487
Energy: 1.105364003385186
Energy: 1.065722815430664
Energy: 1.1053640035800687
Energy: 1.1115018848631504
Energy: 1.4950939008957065
Energy: 1.1115018848640659
Energy: 1.4950939008993678
Energy: 1.1115018848631504
Energy: 1.495093900896622
Energy: 1.1115018848631504
Energy: 1.041137099772603
Energy: 1.052162275132741
Energy: 1.0411370997716876
Energy: 1.0521622751318256
Energy: 1.041137099772603
Energy: 1.0521622751318256
Energy: 1.0411370997716876
Energy: 1.0112547220595032
Energy: 1.0527307639708021
Energy: 1.0112547220595032
Energy: 1.0527307639708021
Energy: 1.0112547220595032
Energy: 1.0527307639708021
Energy: 1.0112547220595032
Energy: 1.023921516804154
Energy: 1.0935061537698456
Energy: 1.023921516804154
Energy: 1.0935061537707609
Energy: 1.023921516804154
Energy: 1.0935061537698456
Energy: 1.023921516804154
Energy: 0.9693394852209226
Energy: 1.2202383880790428
Energy: 0.9693394852209226
Energy: 1.2202383880781273
Energy: 0.9693394852200072
Energy: 1.2202383880781273
Energy: 0.9693394852209226
Energy: 0.986117887153307
Energy: 1.0713962741772685
Energy: 0.986117887153307
Energy: 1.0713962741772685
Energy: 0.9861178871542223
Energy: 1.0713962741772685
Energy: 0.9861178871542223
Energy: 1.0416613668594379
Energy: 1.0243903936484993
Energy: 1.0416613668603534
Energy: 1.0243903936484993
Energy: 1.0416613668594379
Energy: 1.0243903936484993
Energy: 1.0416613668603534
Energy: 1.0413436178723083
Energy: 1.428418873835569
Energy: 1.0413436178723083
Energy: 1.4284188738346535
Energy: 1.0413436178723083
Energy: 1.4284188738346535
Energy: 1.0413436178723083
Energy: 0.9695100196403671
Energy: 1.0719256634082908
Energy: 0.9695100196394518
Energy: 1.0719256634082908
Energy: 0.9695100196403671
Energy: 1.0719256634082908
Energy: 0.9695100196403671
Energy: 0.9859327025304815
Energy: 1.0767483920561562
Energy: 0.9859327025304815
Energy: 1.0767483920561562
Energy: 0.9859327025313966
Energy: 1.0767483920561562
Energy: 0.9859327025313966
Energy: 1.0416041980706345
Energy: 1.0243983569836363
Energy: 1.0416041980706345
Energy: 1.0243983569845516
Energy: 1.0416041980706345
Energy: 1.0243983569836363
Energy: 1.0416041980706345
Energy: 1.0631194494437815
Energy: 1.2513859379391212
Energy: 1.063119449442866
Energy: 1.2513859379391212
Energy: 1.0631194494437815
Energy: 1.2513859379391212
Energy: 1.063119449442866
Energy: 1.089034403461985
Energy: 1.071087955554246
Energy: 1.089034406150966
Energy: 1.0710879555533306
Energy: 1.0890344056111478
Energy: 1.0710879555533306
Energy: 1.0890344103953078
Energy: 1.0908983586914467
Energy: 1.0332184909959539
Energy: 1.0908983586914467
Energy: 1.0332184909968694
Energy: 1.0908983586914467
Energy: 1.0332184909968694
Energy: 1.0908983586914467
Energy: 1.1049634175854262
Energy: 1.0564075194445846
Energy: 1.1049634175854262
Energy: 1.056407519443669
Energy: 1.1049634175845107
Energy: 1.056407519443669
Energy: 1.1049634175854262
Energy: 1.0956530353398886
Energy: 1.251369243924435
Energy: 1.0956530353389733
Energy: 1.251369243924435
Energy: 1.0956530353398886
Energy: 1.251369243924435
Energy: 1.0956530353389733
Energy: 1.0032784411064712
Energy: 1.071778489972101
Energy: 1.0032784484633859
Energy: 1.0717784899711857
Energy: 1.0032784398502583
Energy: 1.071778489972101
Energy: 1.0032784482246084
Energy: 0.9859053433770995
Energy: 1.0240617211149916
Energy: 0.9859053433770995
Energy: 1.0240617211149916
Energy: 0.9859053433761842
Energy: 1.0240617211149916
Energy: 0.9859053433761842
Energy: 1.0414122241332902
Energy: 1.02523877948862
Energy: 1.0414122241332902
Energy: 1.0252387874722682
Energy: 1.0414122241332902
Energy: 1.0252389600011196
Energy: 1.0414122241332902
Energy: 0.9695570353105701
Energy: 1.031449771394807
Energy: 0.9695570353105701
Energy: 1.031449771670198
Energy: 0.9695570353114855
Energy: 1.0314497713957225
Energy: 0.9695570353105701
Energy: 0.9701198878210395
Energy: 1.071565353639294
Energy: 0.9701198878210395
Energy: 1.0715653536383787
Energy: 0.970119887821955
Energy: 1.071565353639294
Energy: 0.9701198878210395
Energy: 1.0407302882547307
Energy: 1.0238950338751547
Energy: 1.040730288255646
Energy: 1.0238950338760702
Energy: 1.040730288255646
Energy: 1.0238950338751547
Energy: 1.040730288255646
Energy: 1.041746526674465
Energy: 1.0090947435553743
Energy: 1.041746526674465
Energy: 1.0090947435553743
Energy: 1.0417465266753805
Energy: 1.0090947435544588
Energy: 1.041746526674465

minimum gb energy = 0.9693394852200072 eV
minimum distance =  2.32936150247213 Angstroms
sigma value = 113


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

Energy: 0.9918626515373409
Energy: 1.2075688726342841
Energy: 0.9918626515347868
Energy: 1.2075688726332625
Energy: 0.9918626515378518
Energy: 1.207568872634795
Energy: 0.9918626515373409
Energy: 0.9883426702433161
Energy: 0.957647520935931
Energy: 0.9883426702402511
Energy: 0.9576475209384853
Energy: 0.9883426702361643
Energy: 0.9576475209379745
Energy: 0.988342670240762
Energy: 1.0085692890839448
Energy: 0.9759259389611583
Energy: 1.008569289079858
Energy: 0.9759259389632018
Energy: 1.0085692890824123
Energy: 0.9759259389611583
Energy: 1.008569289080369
Energy: 0.9546130122736989
Energy: 0.9451596733362505
Energy: 0.9546130122747205
Energy: 0.945159673334207
Energy: 0.9546130122731881
Energy: 0.9451596733362505
Energy: 0.9546130122736989
Energy: 0.9252765311761447
Energy: 1.0681601744084601
Energy: 0.9252765311751231
Energy: 1.068160174408971
Energy: 0.9252765311761447
Energy: 1.0681601744084601
Energy: 0.9252765311771665
Energy: 0.9417359075917218
Energy: 0.9578330485398657
Energy: 0.9417359075901893
Energy: 0.957833048538844
Energy: 0.9417359075922326
Energy: 0.9578330485403765
Energy: 0.9417359075896785
Energy: 0.931354062604519
Energy: 0.8890884175547703
Energy: 0.9313540626034973
Energy: 0.8890873033638973
Energy: 0.9313540626050298
Energy: 0.8890882424015447
Energy: 0.9313540626040081
Energy: 0.9451503279663505
Energy: 0.9139885127557562
Energy: 0.945150327967883
Energy: 0.9139885127572888
Energy: 0.9451503279780998
Energy: 0.9139885127557562
Energy: 0.9451503279806541
Energy: 0.9357036576190025
Energy: 1.110586239646574
Energy: 0.9357036576179808
Energy: 1.1105862396470847
Energy: 0.9357036576200242
Energy: 1.1105862396470847
Energy: 0.9357036576184917
Energy: 0.955526140342637
Energy: 0.9201043566900774
Energy: 0.9555261403421262
Energy: 0.9201043566880341
Energy: 0.955526140343148
Energy: 0.9201043566890558
Energy: 0.9555261403421262
Energy: 0.8925473751473743
Energy: 0.9038174451513559
Energy: 0.892547375148396
Energy: 0.9038174451498234
Energy: 0.8925473751463525
Energy: 0.9038174451498234
Energy: 0.8925473751478851
Energy: 0.9305189935475101
Energy: 0.9231424413719728
Energy: 0.9305189935475101
Energy: 0.9231424413729943
Energy: 0.9305189935475101
Energy: 0.9231424413714618
Energy: 0.9305189935475101
Energy: 0.8610006140113049
Energy: 1.0907016610261433
Energy: 0.8610006140766471
Energy: 1.090701661027165
Energy: 0.8610006139944469
Energy: 1.090701661026654
Energy: 0.8610006140128373
Energy: 0.9173030767395155
Energy: 0.92088525718935
Energy: 0.9173030767390047
Energy: 0.920885257189861
Energy: 0.9173030767395155
Energy: 0.9208852571908827
Energy: 0.9173030767379831
Energy: 0.9216836224040489
Energy: 0.887624154807485
Energy: 0.9216836224025163
Energy: 0.887624155361987
Energy: 0.9216836224045597
Energy: 0.8876241548049307
Energy: 0.9216836224025163
Energy: 0.9163286266729561
Energy: 1.0894151258898237
Energy: 0.916328626673467
Energy: 1.0894151258903346
Energy: 0.9163286266729561
Energy: 1.0894151258903346
Energy: 0.9163286266755105
Energy: 0.8607795684278338
Energy: 0.911322636475369
Energy: 0.8607795684283446
Energy: 0.9113226364769016
Energy: 0.8607795684283446
Energy: 0.9113226364758799
Energy: 0.8607795684278338
Energy: 0.9197415573429398
Energy: 0.9233387734034385
Energy: 0.9197415573434506
Energy: 0.9233387734029278
Energy: 0.9197415573434506
Energy: 0.9233387734029278
Energy: 0.919741557342429
Energy: 0.9239650534432625
Energy: 0.887397181377301
Energy: 0.92396505344173
Energy: 0.8873971811740763
Energy: 0.9239650534422408
Energy: 0.887397181343585
Energy: 0.9239650534412192
Energy: 0.9233364466572512
Energy: 1.008450860764586
Energy: 0.9233364466567403
Energy: 1.0084508607650966
Energy: 0.9233364466582729
Energy: 1.0084508607650966
Energy: 0.9233364466572512
Energy: 0.9245738858519432
Energy: 0.9007714642897021
Energy: 0.9245738858483674
Energy: 0.9007714642907237
Energy: 0.9245738858504107
Energy: 0.9007714642891913
Energy: 0.9245738858488783
Energy: 0.9359772209328211
Energy: 0.8833768783942174
Energy: 0.9359772209333319
Energy: 0.8833770830546624
Energy: 0.9359772209343538
Energy: 0.883376802164115
Energy: 0.9359772209328211
Energy: 0.9249156046496748
Energy: 0.9006590534849171
Energy: 0.9249156046506967
Energy: 0.9006590534838954
Energy: 0.9249156046506967
Energy: 0.9006590534844063
Energy: 0.9249156046512075
Energy: 0.9136722179272629
Energy: 1.0567188963354996
Energy: 0.9136722179282847
Energy: 1.0567188963365213
Energy: 0.9136722179277739
Energy: 1.0567188963354996
Energy: 0.9136722179282847
Energy: 1.0195337236631707
Energy: 0.939052588630864
Energy: 1.0195337236626598
Energy: 0.9390525886298422
Energy: 1.0195337236626598
Energy: 0.9390525886298422
Energy: 1.0195337236621491
Energy: 0.9544354514966628
Energy: 0.9424457080089581
Energy: 0.9544354514930867
Energy: 0.9424457080074254
Energy: 0.9544354514971737
Energy: 0.9424457080079365
Energy: 0.9544354515038147
Energy: 0.9930389731899141
Energy: 1.0479299531005095
Energy: 0.9930389731899141
Energy: 1.047929953211828
Energy: 0.9930389731899141
Energy: 1.047929953221534
Energy: 0.9930389731904249
Energy: 0.9761741280418342
Energy: 1.1320497941182692
Energy: 0.9761741280127161
Energy: 1.1320498008896034
Energy: 0.9761741280653333
Energy: 1.132049795881437
Energy: 0.9761741279770031
Energy: 1.0802072106531555
Energy: 0.9533109280713579
Energy: 1.0802072106531555
Energy: 0.9533109280713579
Energy: 1.0802072106526448
Energy: 0.953310928070847
Energy: 1.0802072106531555
Energy: 0.960334564323312
Energy: 0.9423988368516867
Energy: 0.9603345643202469
Energy: 0.9423988368516867
Energy: 0.9603345643207577
Energy: 0.9423988368521975
Energy: 0.9603345643222904
Energy: 0.9283283115527626
Energy: 0.9376715586542809
Energy: 0.9283283115522518
Energy: 0.9376715586527482
Energy: 0.9283283115522518
Energy: 0.9376715586553023
Energy: 0.9283283115522518
Energy: 0.9137039925613532
Energy: 1.127711759664459
Energy: 0.9137039925608423
Energy: 1.1277117596654809
Energy: 0.91370399256544
Energy: 1.12771175966497
Energy: 0.9137039925649292
Energy: 1.0089967575215828
Energy: 0.9575110032738819
Energy: 1.0089967575215828
Energy: 0.9575110032728603
Energy: 1.0089967575210719
Energy: 0.9575110032733711
Energy: 1.0089967575215828
Energy: 0.9160969849412446
Energy: 0.8831064674067011
Energy: 0.9160969849417552
Energy: 0.8831064674097663
Energy: 0.9160969849427769
Energy: 0.8831064674087445
Energy: 0.9160969849417552
Energy: 0.9433375899766492
Energy: 1.0169210201815366
Energy: 0.9433375899776708
Energy: 1.0169210201830692
Energy: 0.94333758997716
Energy: 1.0169210201820476
Energy: 0.9433375899776708
Energy: 0.9003692236420454
Energy: 1.081776535472266
Energy: 0.9003692236425562
Energy: 1.0817765354727766
Energy: 0.9003692236425562
Energy: 1.081776535472266
Energy: 0.9003692236425562
Energy: 1.022248955477095
Energy: 0.9196951019977156
Energy: 1.022248955479138
Energy: 0.9196951019977156
Energy: 1.022248955477095
Energy: 0.9196951019977156
Energy: 1.022248955479138
Energy: 0.905973721211879
Energy: 0.8933169664969802
Energy: 0.9059737212129008
Energy: 0.8933169664964694
Energy: 0.9059737212113682
Energy: 0.8933169664959586
Energy: 0.9059737212129008
Energy: 0.927543528851669
Energy: 0.8992238075056078
Energy: 0.9275435288526909
Energy: 0.8992238075061186
Energy: 0.927543528851669
Energy: 0.8992238075056078
Energy: 0.9275435288526909
Energy: 0.8750406703458651
Energy: 1.1370642330700254
Energy: 0.8750406703468868
Energy: 1.1370642330684928
Energy: 0.8750406703458651
Energy: 1.1370642330695147
Energy: 0.8750406703453542
Energy: 0.9175110487219086
Energy: 0.919475108625393
Energy: 0.9175110487219086
Energy: 0.9194751086238604
Energy: 0.9175110487219086
Energy: 0.9194751086238604
Energy: 0.9175110487219086
Energy: 0.9211121385667568
Energy: 0.8905431901469278
Energy: 0.9211121385657352
Energy: 0.8905431901489712
Energy: 0.9211121385667568
Energy: 0.8905431901453954
Energy: 0.9211121385657352
Energy: 0.9179847457587498
Energy: 1.0859880686079042
Energy: 0.9179847457597715
Energy: 1.0859880686068826
Energy: 0.9179847457587498
Energy: 1.0859880686079042
Energy: 0.9179847457597715
Energy: 0.8751469792975184
Energy: 0.9001503917691429
Energy: 0.8751469792985401
Energy: 0.9001503917711863
Energy: 0.8751469792975184
Energy: 0.9001503917691429
Energy: 0.8751469792975184
Energy: 0.9173180259066043
Energy: 0.9280783653812953
Energy: 0.917318025907626
Energy: 0.9280783653818062
Energy: 0.9173180259071152
Energy: 0.9280783653818062
Energy: 0.917318025907626

minimum gb energy = 0.8607795684278338 eV
minimum distance =  2.3060318748401 Angstroms
sigma value = 365


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

Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.7581704686073187
Energy: 1.0752479704867663
Energy: 1.7581704686073187
Energy: 1.0752479704867663
Energy: 1.7581704686084703
Energy: 1.0752479704867663
Energy: 1.7581704686084703
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 2.6251736362150258
Energy: 1.0752479704867663
Energy: 2.6251735057636
Energy: 1.0752479704867663
Energy: 2.6251735690908813
Energy: 1.0752479704867663
Energy: 2.625173659288569
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.7581704686084703
Energy: 1.0752479704867663
Energy: 1.7581704686073187
Energy: 1.0752479704867663
Energy: 1.758170468609622
Energy: 1.0752479704867663
Energy: 1.758170468609622
Energy: 0.3248712994555248
Energy: 0.33766335973502754
Energy: 0.3248712994555248
Energy: 0.33766335973502754
Energy: 0.3248712994555248
Energy: 0.33766335973502754
Energy: 0.3248712994555248
Energy: 1.9337456772408086
Energy: 1.0752479704867663
Energy: 1.933745677232746
Energy: 1.0752479704867663
Energy: 1.9337456772465673
Energy: 1.0752479704867663
Energy: 1.933745677267299
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.7581704686084703
Energy: 1.0752479704867663
Energy: 1.7581704686084703
Energy: 1.0752479704867663
Energy: 1.7581704686084703
Energy: 1.0752479704867663
Energy: 1.7581704686061668
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.9337456772350499
Energy: 1.0752479704867663
Energy: 1.9337456772488706
Energy: 1.0752479704867663
Energy: 1.933745677232746
Energy: 1.0752479704867663
Energy: 1.933745677267299
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.933745677232746
Energy: 1.0752479704867663
Energy: 1.9337456772350499
Energy: 1.0752479704867663
Energy: 1.9337456772431119
Energy: 1.0752479704867663
Energy: 1.933745677301826
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.9337456772373531
Energy: 1.0752479704867663
Energy: 1.9337456772408086
Energy: 1.0752479704867663
Energy: 1.933745677232746
Energy: 1.0752479704867663
Energy: 1.9337456772315944
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 0.3376633597361793
Energy: 0.3248712994555248
Energy: 1.9337456772362014
Energy: 1.0752479704867663
Energy: 1.9337456772408086
Energy: 1.0752479704867663
Energy: 1.933745677258085
Energy: 1.0752479704867663
Energy: 1.9337456772315944
Energy: 0.3248712994555248
Energy: 0.33766335973502754
Energy: 0.3248712994555248
Energy: 0.33766335973502754
Energy: 0.3248712994555248
Energy: 0.33766335973502754
Energy: 0.3248712994555248
Energy: 1.9337456772396566
Energy: 1.0752479704867663
Energy: 1.9337456772315944
Energy: 1.0752479704867663
Energy: 1.9337456772315944
Energy: 1.0752479704867663
Energy: 1.933745677232746

minimum gb energy = 0.3248712994555248 eV
minimum distance =  2.315097778134 Angstroms
sigma value = 23