Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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=2.850243076682091
cohesive_energy=4.290676325982293
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: 0.016334234573010878
Energy: 0.15414300934612207
Energy: 0.016334234573422785
Energy: 0.15414300934612207
Energy: 0.016334234573010878
Energy: 0.15414300934612207
Energy: 0.016334234573422785
Energy: 0.017025934625657636
Energy: 0.5855052509854959
Energy: 0.017025934625657636
Energy: 0.5855052509858619
Energy: 0.017025934625657636
Energy: 0.5855052509854959
Energy: 0.017025934625657636
Energy: 0.44963711308247817
Energy: 0.5294973283295041
Energy: 0.4496371130828442
Energy: 0.5294973283290922
Energy: 0.44963711308247817
Energy: 0.5294973283295041
Energy: 0.4496371130828442
Energy: 0.01702593462483383
Energy: 0.5855052509854959
Energy: 0.017025934625657636
Energy: 0.5855052509850839
Energy: 0.01702593462524573
Energy: 0.5855052509854959
Energy: 0.01702593462524573
Energy: 0.016334234573010878
Energy: 0.15414300934571018
Energy: 0.016334234573010878
Energy: 0.15414300934571018
Energy: 0.016334234573010878
Energy: 0.15414300934612207
Energy: 0.016334234573010878
Energy: 0.01702593462524573
Energy: 0.5855052509854959
Energy: 0.01702593462524573
Energy: 0.5855052509850839
Energy: 0.01702593462524573
Energy: 0.5855052509854959
Energy: 0.017025934625657636

minimum gb energy = 0.016334234573010878 eV
minimum distance =  2.46372522601212 Angstroms
sigma value = 5


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

Energy: 1.264598931296647
Energy: 1.2388734836647541
Energy: 1.2645989312971393
Energy: 1.2388734836052626
Energy: 1.264598931296647
Energy: 1.2388734836549133
Energy: 1.264598931296647
Energy: 1.1727888148045802
Energy: 1.1791502751485488
Energy: 1.1727888148065482
Energy: 1.1791502751500247
Energy: 1.1727888148075323
Energy: 1.1791502751485488
Energy: 1.1727888148070404
Energy: 1.117726711626995
Energy: 1.1568174979818786
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Energy: 1.1568174979818786
Energy: 1.1177267116279792
Energy: 1.1156653015561038
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Energy: 1.1156653015561038
Energy: 1.1882482632754088
Energy: 1.1156653015536435
Energy: 1.114036084752364
Energy: 1.1888120838782819
Energy: 1.114036084750396
Energy: 1.1888120838768057
Energy: 1.1140360847528563
Energy: 1.188812083878774
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Energy: 1.2208859679243125
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Energy: 1.1362313403049273
Energy: 1.2208859679238206
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Energy: 1.2092313601511324
Energy: 1.2247011222864979
Energy: 1.2092313601496565
Energy: 1.2247011222855138
Energy: 1.2092313601506404
Energy: 1.2247011222869897
Energy: 1.2092313601496565
Energy: 1.153069209451819
Energy: 1.2212261968328932
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Energy: 1.153069209452311
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Energy: 1.1661916113492043
Energy: 1.2006147056083385
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Energy: 1.1951209656379613
Energy: 1.2333085175079592
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Energy: 1.1133480924165122
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Energy: 1.1133480924160202
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Energy: 1.1454123729247576
Energy: 1.1620695984743497
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Energy: 1.1454123729252497
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Energy: 1.167622207116345
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Energy: 1.1723986022398856
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Energy: 1.1645304150396583
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Energy: 1.1558447555990563
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Energy: 1.1915623225202912
Energy: 1.1545960241788595
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Energy: 1.1099087732209683
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Energy: 1.1099087732175241
Energy: 1.1117004107615094
Energy: 1.1099087732199844
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Energy: 1.1412197889057192
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Energy: 1.141219788903259
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Energy: 1.1255837545584653
Energy: 1.1693603529395364
Energy: 1.1255837545732263
Energy: 1.1693603529419965
Energy: 1.125583754554037
Energy: 1.1693603529400283
Energy: 1.1467814379649484
Energy: 1.1837533888187717
Energy: 1.1467814379654404
Energy: 1.1837533888192637
Energy: 1.146781437963964
Energy: 1.1837533888192637
Energy: 1.1467814379659322
Energy: 1.1409328298707395
Energy: 1.185057350597218
Energy: 1.1409328298712316
Energy: 1.18505735059525
Energy: 1.1409328298707395
Energy: 1.185057350596726
Energy: 1.1409328298717234
Energy: 1.1133439581436106
Energy: 1.1616087595822329
Energy: 1.1133439581436106
Energy: 1.161608759582725
Energy: 1.1133439581441027
Energy: 1.1616087595832167
Energy: 1.1133439581441027
Energy: 1.111573360207401
Energy: 1.1620800085568876
Energy: 1.1115733602113373
Energy: 1.1620800085568876
Energy: 1.1115733602093691
Energy: 1.1620800085568876
Energy: 1.1115733602108453
Energy: 1.1380697420292523
Energy: 1.1769589850819533
Energy: 1.1380697420287602
Energy: 1.1769589850819533
Energy: 1.1380697420302361
Energy: 1.1769589850824453
Energy: 1.138069742028268

minimum gb energy = 1.0996990588116802 eV
minimum distance =  2.28608569534434 Angstroms
sigma value = 401


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

Energy: 1.2875039687375636
Energy: 1.2582578262343593
Energy: 1.2875039687397976
Energy: 1.2582578262321253
Energy: 1.2875039687420315
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Energy: 1.127656612771603
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Energy: 1.1279178264083636
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Energy: 1.2040618206239064
Energy: 1.20168569580944
Energy: 1.243353979436524
Energy: 1.201685695807206
Energy: 1.24335397943429
Energy: 1.2016856958066475
Energy: 1.2433539794359656
Energy: 1.2016856958088815
Energy: 1.2017922173978588
Energy: 1.2433394342830488
Energy: 1.2017922173967417
Energy: 1.243339434284166
Energy: 1.201792217398976
Energy: 1.2433394342808148
Energy: 1.201792217398976
Energy: 1.1494299021356462
Energy: 1.2029876892391533
Energy: 1.1494299021373215
Energy: 1.2029876892391533
Energy: 1.1494299021367633
Energy: 1.2029876892397122
Energy: 1.1494299021350876
Energy: 1.1501016161337236
Energy: 1.2290895760351257
Energy: 1.150101616133165
Energy: 1.2290895760345673
Energy: 1.1501016161348405
Energy: 1.2290895760351257
Energy: 1.1501016161337236
Energy: 1.1539972731298411
Energy: 1.1618242519558937
Energy: 1.1539972731309582
Energy: 1.1618242519570108
Energy: 1.1539972731309582
Energy: 1.1618242519564521
Energy: 1.1539972731303996
Energy: 1.1548653915961318
Energy: 1.1744194464985152
Energy: 1.1548653915950151
Energy: 1.1744194464996325
Energy: 1.1548653915961318
Energy: 1.1744194464996325
Energy: 1.1548653915955736
Energy: 1.2631979794095554
Energy: 1.2149931791665634
Energy: 1.263197979411231
Energy: 1.2149931791665634
Energy: 1.2631979794095554
Energy: 1.2149931791665634
Energy: 1.2631979794095554
Energy: 1.1147631265915297
Energy: 1.1902328734681813
Energy: 1.1147631265920883
Energy: 1.1902328734676226
Energy: 1.1147631265920883
Energy: 1.1902328734665057
Energy: 1.1147631265920883

minimum gb energy = 1.1147631265915297 eV
minimum distance =  2.29973745238165 Angstroms
sigma value = 311


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

Energy: 1.1804467942660741
Energy: 1.2187492782209244
Energy: 1.1804467942660741
Energy: 1.2187492782202796
Energy: 1.180446794266719
Energy: 1.2187492782189897
Energy: 1.180446794265429
Energy: 1.1313339293942237
Energy: 1.135382251001902
Energy: 1.1313339293942237
Energy: 1.135382251002547
Energy: 1.1313339293942237
Energy: 1.135382251002547
Energy: 1.1313339293948685
Energy: 1.0901390483084443
Energy: 1.1583196231097135
Energy: 1.0901390483077995
Energy: 1.1583196231097135
Energy: 1.0901390483084443
Energy: 1.1583196231103585
Energy: 1.0901390483084443
Energy: 1.2647394123644258
Energy: 1.2301187596937622
Energy: 1.2647394123650704
Energy: 1.2301187596937622
Energy: 1.2647394123644258
Energy: 1.2301187596931171
Energy: 1.2647394123637807
Energy: 1.2303501205391754
Energy: 1.2408652243290221
Energy: 1.2303501205398202
Energy: 1.2408652243283773
Energy: 1.2303501205398202
Energy: 1.2408652243290221
Energy: 1.2303501205391754
Energy: 1.1856903983636955
Energy: 1.2809525980363354
Energy: 1.1856903983630505
Energy: 1.2809525980369805
Energy: 1.185690398361761
Energy: 1.2809525980369805
Energy: 1.1856903983624054
Energy: 1.1973037103109914
Energy: 1.270201784401194
Energy: 1.1973037103097013
Energy: 1.270201784401194
Energy: 1.1973037103103463
Energy: 1.2702017844005489
Energy: 1.1973037103109914
Energy: 1.2305556107290778
Energy: 1.248102459429103
Energy: 1.2305556107297229
Energy: 1.2481024594297478
Energy: 1.2305556107297229
Energy: 1.2481024594284582
Energy: 1.2305556107290778
Energy: 1.2303233444983606
Energy: 1.251570726941854
Energy: 1.2303233444983606
Energy: 1.251570726941854
Energy: 1.2303233444996502
Energy: 1.251570726941209
Energy: 1.2303233444996502
Energy: 1.0831270358116618
Energy: 1.1753480296540084
Energy: 1.0831270358123066
Energy: 1.1753480296527186
Energy: 1.0831270358116618
Energy: 1.1753480296540084
Energy: 1.0831270358116618
Energy: 1.0893362440014147
Energy: 1.1996300810230054
Energy: 1.0893362440014147
Energy: 1.1996300810230054
Energy: 1.0893362440014147
Energy: 1.1996300810230054
Energy: 1.0893362440020593
Energy: 1.2606193904095702
Energy: 1.2424167885901352
Energy: 1.2606193904076355
Energy: 1.2424167885901352
Energy: 1.2606193904089251
Energy: 1.2424167885894903
Energy: 1.2606193904089251
Energy: 1.2407204139181085
Energy: 1.2501889957458068
Energy: 1.2407204139174635
Energy: 1.2501889957451617
Energy: 1.2407204139174635
Energy: 1.2501889957451617
Energy: 1.2407204139174635
Energy: 1.1730284700486426
Energy: 1.187339110406871
Energy: 1.1730284700492877
Energy: 1.1873391104062259
Energy: 1.1730284700486426
Energy: 1.187339110406871
Energy: 1.1730284700492877
Energy: 1.2235194124712523
Energy: 1.2743842584842817
Energy: 1.2235194124712523
Energy: 1.2743842584855716
Energy: 1.2235194124706075
Energy: 1.2743842584855716
Energy: 1.2235194124706075
Energy: 1.1765904592646435
Energy: 1.2439456662990034
Energy: 1.1765904592639986
Energy: 1.2439456662996482
Energy: 1.1765904592639986
Energy: 1.2439456663002928
Energy: 1.1765904592646435
Energy: 1.1391751197784774
Energy: 1.1360612398157306
Energy: 1.1391751197791222
Energy: 1.1360612398163756
Energy: 1.1391751197797673
Energy: 1.1360612398150856
Energy: 1.1391751197797673
Energy: 1.096439343242173
Energy: 1.1564980297364071
Energy: 1.0964393432408834
Energy: 1.1564980297370522
Energy: 1.0964393432408834
Energy: 1.1564980297364071
Energy: 1.0964393432415283
Energy: 1.286827875978246
Energy: 1.3050961829413308
Energy: 1.286827875978246
Energy: 1.3050961829419756
Energy: 1.2868278759769562
Energy: 1.3050961829413308
Energy: 1.2868278759769562
Energy: 1.230522437094746
Energy: 1.2470813415729358
Energy: 1.2305224370953909
Energy: 1.247081341572291
Energy: 1.230522437094746
Energy: 1.247081341572291
Energy: 1.230522437094101
Energy: 1.1782453834947384
Energy: 1.1918226515230763
Energy: 1.1782453834947384
Energy: 1.1918226515230763
Energy: 1.1782453834947384
Energy: 1.1918226515224315
Energy: 1.1782453834947384
Energy: 1.175919420722647
Energy: 1.239346630400954
Energy: 1.175919420722002
Energy: 1.239346630401599
Energy: 1.175919420722002
Energy: 1.239346630400954
Energy: 1.175919420721357
Energy: 1.2301664979492974
Energy: 1.1994211469603544
Energy: 1.2301664979499425
Energy: 1.1994211469597096
Energy: 1.2301664979486526
Energy: 1.1994211469609992
Energy: 1.2301664979486526
Energy: 1.211984566544931
Energy: 1.2693602852385668
Energy: 1.211984566544931
Energy: 1.269360285237922
Energy: 1.211984566544286
Energy: 1.2693602852385668
Energy: 1.211984566544286
Energy: 1.082815827967004
Energy: 1.1445074820086203
Energy: 1.082815827967004
Energy: 1.1445074820073304
Energy: 1.082815827966359
Energy: 1.1445074820079753
Energy: 1.082815827966359
Energy: 1.184474847739039
Energy: 1.240780726137439
Energy: 1.184474847739684
Energy: 1.240780726136794
Energy: 1.184474847739684
Energy: 1.240780726136794
Energy: 1.184474847739684
Energy: 1.2459536335022643
Energy: 1.2407973632183524
Energy: 1.3015210899773035
Energy: 1.2407973632189975
Energy: 1.2617326336639643
Energy: 1.2407973632189975
Energy: 1.3015210899779486
Energy: 1.2352261428742017
Energy: 1.2767189520591775
Energy: 1.2352261428742017
Energy: 1.2767189520591775
Energy: 1.2352261428742017
Energy: 1.2767189520591775
Energy: 1.235226142873557
Energy: 1.1831944380739894
Energy: 1.1834207909916292
Energy: 1.1831944380746344
Energy: 1.183420790992274
Energy: 1.1831944380746344
Energy: 1.183420790992274
Energy: 1.1831944380746344
Energy: 1.2119546996832828
Energy: 1.2560420824207115
Energy: 1.2119546996832828
Energy: 1.2560420824200664
Energy: 1.2119546996839277
Energy: 1.2560420824213563
Energy: 1.2119546996845727
Energy: 1.187705641128421
Energy: 1.2438993190457979
Energy: 1.187705641127776
Energy: 1.2438993190457979
Energy: 1.187705641128421
Energy: 1.2438993190451528
Energy: 1.2476231763877026
Energy: 1.1054767726980121
Energy: 1.1912008936098049
Energy: 1.1054767726967223
Energy: 1.1912008936098049
Energy: 1.1054767726960775
Energy: 1.19120089360916
Energy: 1.1054767726960775
Energy: 1.089123411461249
Energy: 1.1018271234018149
Energy: 1.0891234114599593
Energy: 1.10182712340117
Energy: 1.089123411461249
Energy: 1.10182712340117
Energy: 1.089123411461249
Energy: 1.2648988961337466
Energy: 1.259133899993147
Energy: 1.2648988961343914
Energy: 1.259133899993147
Energy: 1.2648988961343914
Energy: 1.259133899993792
Energy: 1.2648988961337466
Energy: 1.2416952780767414
Energy: 1.2779119371429897
Energy: 1.241695278078031
Energy: 1.2779119371429897
Energy: 1.2416952780773862
Energy: 1.2779119371429897
Energy: 1.2416952780760964
Energy: 1.1779752107437758
Energy: 1.2091532944761858
Energy: 1.1779752107437758
Energy: 1.209153294475541
Energy: 1.177975210743131
Energy: 1.2091532944768306
Energy: 1.177975210743131

minimum gb energy = 1.082815827966359 eV
minimum distance =  2.20231998501135 Angstroms
sigma value = 39


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

Energy: 1.1682647064584286
Energy: 1.1663934437518018
Energy: 1.168264706459951
Energy: 1.166393443753324
Energy: 1.1682647064591898
Energy: 1.166393443754085
Energy: 1.1682647064584286
Energy: 1.2060181296352448
Energy: 1.0806466602471119
Energy: 1.2060181296344836
Energy: 1.0806466602455898
Energy: 1.2060181296344836
Energy: 1.0806466602471119
Energy: 1.2060181296344836
Energy: 1.1414706683724762
Energy: 1.1078947591071204
Energy: 1.1414706683724762
Energy: 1.1078947591071204
Energy: 1.1414706683724762
Energy: 1.1078947591063593
Energy: 1.1414706683724762
Energy: 1.2056387644222697
Energy: 1.0798360370917603
Energy: 1.2056387644207476
Energy: 1.0798360370917603
Energy: 1.2056387644222697
Energy: 1.0798360370917603
Energy: 1.2056387644207476
Energy: 1.2035356890098179
Energy: 1.0796524925475535
Energy: 1.2035356890098179
Energy: 1.0796524925475535
Energy: 1.2035356890082956
Energy: 1.0796524925475535
Energy: 1.203535689010579
Energy: 1.204133421989302
Energy: 1.0775160826923087
Energy: 1.204133421990063
Energy: 1.0775160826938313
Energy: 1.204133421989302
Energy: 1.0775160826923087
Energy: 1.204133421989302
Energy: 1.26235595046528
Energy: 1.108260864324185
Energy: 1.262355950464519
Energy: 1.108260864324185
Energy: 1.262355950464519
Energy: 1.108260864324185
Energy: 1.2564084354638032
Energy: 1.1428451366614814
Energy: 1.0780512286620794
Energy: 1.1428451366607204
Energy: 1.078051228660557
Energy: 1.1428451366614814
Energy: 1.0780512286620794
Energy: 1.1428451366607204
Energy: 1.2051531226740875
Energy: 1.079062549053907
Energy: 1.2051531226740875
Energy: 1.0790625490546681
Energy: 1.2051531226740875
Energy: 1.079062549053907
Energy: 1.2051531226725654
Energy: 1.1410411038810169
Energy: 1.1428353785710061
Energy: 1.141041103882539
Energy: 1.1428353785702454
Energy: 1.1410411038810169
Energy: 1.1428353785702454
Energy: 1.141041103882539
Energy: 1.2190181224861496
Energy: 1.108486693659997
Energy: 1.2190181224861496
Energy: 1.1084866936622806
Energy: 1.2190181224853887
Energy: 1.108486693660758
Energy: 1.2190181224861496
Energy: 1.1423557998661784
Energy: 1.0780141704426547
Energy: 1.1423557998654172
Energy: 1.0780141704434159
Energy: 1.1423557998661784
Energy: 1.0780141704434159
Energy: 1.1423557998661784
Energy: 1.172937065319793
Energy: 1.0938047716596913
Energy: 1.1729346540492007
Energy: 1.0938047716589299
Energy: 1.1729443840780516
Energy: 1.0938047716596913
Energy: 1.172946056433883
Energy: 1.1412682934675886
Energy: 1.07793861340175
Energy: 1.14126829346835
Energy: 1.077938613400989
Energy: 1.1412682934675886
Energy: 1.077938613400989
Energy: 1.14126829346835
Energy: 1.1915315220214058
Energy: 1.1455112864052015
Energy: 1.1915315220221667
Energy: 1.1455112864052015
Energy: 1.1915315220221667
Energy: 1.1455112864052015
Energy: 1.1915315220214058
Energy: 1.1414555871698207
Energy: 1.0779313236363517
Energy: 1.1414555871682988
Energy: 1.0779313236355903
Energy: 1.1414555871698207
Energy: 1.0779313236363517
Energy: 1.1414555871682988
Energy: 1.1730243674979965
Energy: 1.0937838703274805
Energy: 1.173024692992218
Energy: 1.0937838703267193
Energy: 1.1730252827068126
Energy: 1.0937838703274805
Energy: 1.1730249875299814
Energy: 1.1423397927641243
Energy: 1.0780181982448482
Energy: 1.142339792764885
Energy: 1.0780181982463701
Energy: 1.142339792763363
Energy: 1.0780181982448482
Energy: 1.142339792763363
Energy: 1.2047572340238237
Energy: 1.1084298045275291
Energy: 1.2047572340223016
Energy: 1.1084298045282903
Energy: 1.2047572340230626
Energy: 1.1084298045267678
Energy: 1.2047572340223016
Energy: 1.1414454153194482
Energy: 1.1428215794680179
Energy: 1.1414454153194482
Energy: 1.1428215794680179
Energy: 1.1414454153194482
Energy: 1.1428215794672567
Energy: 1.1414454153194482
Energy: 1.2051286128182872
Energy: 1.079071261748222
Energy: 1.2051286128182872
Energy: 1.079071261748222
Energy: 1.2051286128198098
Energy: 1.079071261748222
Energy: 1.2051286128213319
Energy: 1.1428558777468363
Energy: 1.078035395912555
Energy: 1.1428558777483586
Energy: 1.0780353959133162
Energy: 1.1428558777468363
Energy: 1.078035395911794
Energy: 1.1428558777483586
Energy: 1.2625259739055443
Energy: 1.1082636461891566
Energy: 1.2625259739047834
Energy: 1.1082636461876345
Energy: 1.2625259739055443
Energy: 1.1082636461891566
Energy: 1.262525973904022
Energy: 1.204155919095829
Energy: 1.0775344344664883
Energy: 1.204155919095829
Energy: 1.0775344344664883
Energy: 1.204155919095829
Energy: 1.0775344344664883
Energy: 1.204155919095829
Energy: 1.2035371058668978
Energy: 1.0796541629337328
Energy: 1.2035371058661366
Energy: 1.079654162934494
Energy: 1.2035371058676592
Energy: 1.0796541629337328
Energy: 1.2035371058661366
Energy: 1.2055173690337895
Energy: 1.0798313384743143
Energy: 1.2055173690337895
Energy: 1.0798313384743143
Energy: 1.2055173690337895
Energy: 1.0798313384743143
Energy: 1.2055173690345506
Energy: 1.1415050479459008
Energy: 1.1079181657644712
Energy: 1.1415050479459008
Energy: 1.1079181657659936
Energy: 1.1415050479459008
Energy: 1.1079181657644712
Energy: 1.1415050479459008
Energy: 1.2060218211317197
Energy: 1.080633865947747
Energy: 1.2060218211309583
Energy: 1.0806338659485084
Energy: 1.2060218211317197
Energy: 1.0806338659492694
Energy: 1.2060218211309583
Energy: 1.1682647064584286
Energy: 1.166393443752563
Energy: 1.1682647064584286
Energy: 1.166393443753324
Energy: 1.1682647064576674
Energy: 1.1663934437548462
Energy: 1.1682647064576674
Energy: 1.2060181296344836
Energy: 1.080646660247873
Energy: 1.2060181296329613
Energy: 1.0806466602455898
Energy: 1.2060181296344836
Energy: 1.0806466602471119
Energy: 1.2060181296337225

minimum gb energy = 1.0775160826923087 eV
minimum distance =  2.26114994356467 Angstroms
sigma value = 21


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

Energy: 1.1203263383367428
Energy: 1.1043813640340112
Energy: 1.1203263383367428
Energy: 1.1043813640340112
Energy: 1.1203263383367428
Energy: 1.1043813640340112
Energy: 1.1203263383367428
Energy: 1.087806415223855
Energy: 1.0492056918938626
Energy: 1.087806415223855
Energy: 1.0492056918938626
Energy: 1.0878064152247788
Energy: 1.0492056918938626
Energy: 1.087806415223855
Energy: 1.091166050216285
Energy: 1.0737319231297344
Energy: 1.091166050216285
Energy: 1.0737319231297344
Energy: 1.0911660502172091
Energy: 1.0737319231297344
Energy: 1.091166050216285
Energy: 1.0223369241494058
Energy: 1.034703666087097
Energy: 1.0223369241494058
Energy: 1.034703666089869
Energy: 1.0223369241494058
Energy: 1.034703666087097
Energy: 1.0223369241494058
Energy: 0.9956222519489778
Energy: 1.0193036034055876
Energy: 0.995622251948054
Energy: 1.0193036034046636
Energy: 0.995622251948054
Energy: 1.0193036034055876
Energy: 0.9956222519489778
Energy: 1.0050337581576216
Energy: 1.0762252504737027
Energy: 1.0050337581576216
Energy: 1.0762252504737027
Energy: 1.0050337581576216
Energy: 1.076225250472779
Energy: 1.0050337581585458
Energy: 0.9521306358065287
Energy: 1.0182853332842818
Energy: 0.9521306358065287
Energy: 1.01828533328613
Energy: 0.9521306358065287
Energy: 1.0182853332815098
Energy: 0.9521306358065287
Energy: 0.9725265347513428
Energy: 1.0509929255543533
Energy: 0.9725265347513428
Energy: 1.0509929255534292
Energy: 0.9725265347513428
Energy: 1.0509929255543533
Energy: 0.9725265347513428
Energy: 1.0227434262448452
Energy: 1.0050923787705206
Energy: 1.0227434262457689
Energy: 1.0050923787714443
Energy: 1.0227434262448452
Energy: 1.0050923787705206
Energy: 1.0227434262457689
Energy: 1.0225612532232418
Energy: 1.034407017468956
Energy: 1.0225612532232418
Energy: 1.034407017468956
Energy: 1.0225612532232418
Energy: 1.034407017468956
Energy: 1.0225612532232418
Energy: 0.9522745768047524
Energy: 1.0508432154068974
Energy: 0.9522745768047524
Energy: 1.0508432154078213
Energy: 0.9522745768047524
Energy: 1.0508432154078213
Energy: 0.9522745768056763
Energy: 0.9722870106958934
Energy: 1.059191358732192
Energy: 0.9722870106968174
Energy: 1.059191358732192
Energy: 0.9722870106958934
Energy: 1.059191358732192
Energy: 0.9722870106958934
Energy: 1.0226215835423094
Energy: 1.00502214512654
Energy: 1.0226215835432335
Energy: 1.0050221451274641
Energy: 1.0226215835423094
Energy: 1.00502214512654
Energy: 1.0226215835432335
Energy: 1.044536270280329
Energy: 1.035185875263405
Energy: 1.044536270280329
Energy: 1.0351858752458494
Energy: 1.044536270280329
Energy: 1.035185875258785
Energy: 1.044536270280329
Energy: 1.0731683154146634
Energy: 1.050699443568836
Energy: 1.0731683154146634
Energy: 1.050699443568836
Energy: 1.0731683154146634
Energy: 1.0506994435697599
Energy: 1.0731683154146634
Energy: 1.0771007533306496
Energy: 1.0203396683297683
Energy: 1.0771007533306496
Energy: 1.0203396683306922
Energy: 1.0771007533324972
Energy: 1.0203396683297683
Energy: 1.0771007533306496
Energy: 1.0867687820035474
Energy: 1.03603084622609
Energy: 1.0867687820035474
Energy: 1.036030846225166
Energy: 1.0867687820035474
Energy: 1.036030846227014
Energy: 1.0867687820044714
Energy: 1.0449391837275237
Energy: 1.0351249359165688
Energy: 1.0449391837275237
Energy: 1.0351249359137968
Energy: 1.0449391837265998
Energy: 1.0351249359174926
Energy: 1.0449391837275237
Energy: 0.988914422420631
Energy: 1.051041688733144
Energy: 0.988914422421555
Energy: 1.05104168873222
Energy: 0.988914422420631
Energy: 1.051041688733144
Energy: 0.988914422420631
Energy: 0.972078098312578
Energy: 1.0061133729660539
Energy: 0.972078098312578
Energy: 1.0061133729651297
Energy: 0.972078098312578
Energy: 1.0061133729660539
Energy: 0.972078098312578
Energy: 1.0228096783147962
Energy: 1.0474778409410774
Energy: 1.0228096783147962
Energy: 1.0474778409373815
Energy: 1.0228096783147962
Energy: 1.047477840990027
Energy: 1.0228096783147962
Energy: 0.952428396112342
Energy: 0.9953143955684588
Energy: 0.9524283961132449
Energy: 0.9953143955703069
Energy: 0.9524283961132449
Energy: 0.995314395567535
Energy: 0.9524283961132449
Energy: 0.9526795357598873
Energy: 1.0509751226675794
Energy: 0.9526795357598873
Energy: 1.0509751226675794
Energy: 0.9526795357598873
Energy: 1.0509751226666553
Energy: 0.9526795357589632
Energy: 1.0221217727068033
Energy: 1.0059186969220881
Energy: 1.0221217727068033
Energy: 1.0059186969230118
Energy: 1.0221217727068033
Energy: 1.0059186969230118
Energy: 1.0221217727068033
Energy: 1.0228545565830263
Energy: 0.9867164683151078
Energy: 1.0228545565821021
Energy: 0.9867164683151078
Energy: 1.0228545565821021
Energy: 0.9867164683151078
Energy: 1.0228545565821021

minimum gb energy = 0.9521306358065287 eV
minimum distance =  2.31283269412214 Angstroms
sigma value = 113


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

Energy: 0.9796080493020006
Energy: 0.96686924048878
Energy: 0.979608049301485
Energy: 0.96686924048878
Energy: 0.9796080493040634
Energy: 0.9668692404877486
Energy: 0.9796080493035476
Energy: 0.9693584006588905
Energy: 0.932721678132658
Energy: 0.9693584006583748
Energy: 0.9327216782156337
Energy: 0.969358400659406
Energy: 0.9327216781177037
Energy: 0.969358400659406
Energy: 0.9703862989473876
Energy: 0.9521718580569885
Energy: 0.970386298948419
Energy: 0.9521718580585354
Energy: 0.9703862989473876
Energy: 0.9521718580569885
Energy: 0.9703862989489346
Energy: 0.9325014775154225
Energy: 0.9235872010890722
Energy: 0.9325014775154225
Energy: 0.9235872010890722
Energy: 0.9325014775154225
Energy: 0.9235872010890722
Energy: 0.9325014775149069
Energy: 0.9034246645366216
Energy: 0.9347503984635174
Energy: 0.9034246645309494
Energy: 0.9347503984650644
Energy: 0.9034246645366216
Energy: 0.9347503984645487
Energy: 0.9034246645304337
Energy: 0.9204531791545706
Energy: 0.9356145577381834
Energy: 0.9204531791535392
Energy: 0.9356145577366364
Energy: 0.9204531791545706
Energy: 0.9356145577381834
Energy: 0.9204531791540548
Energy: 0.9112124552069448
Energy: 0.9091413942788856
Energy: 0.9112124552090074
Energy: 0.90914139427837
Energy: 0.9112124552064291
Energy: 0.9091413942804327
Energy: 0.911212455209523
Energy: 0.9161831028678434
Energy: 0.8956616468537512
Energy: 0.9161831028673278
Energy: 0.895661646855814
Energy: 0.9161831028668123
Energy: 0.8956616468547824
Energy: 0.9161831028678434
Energy: 0.904443437344181
Energy: 0.8865996337816986
Energy: 0.9044434373452125
Energy: 0.8865996337827298
Energy: 0.9044434373452125
Energy: 0.8865996337811828
Energy: 0.9044434373446968
Energy: 0.9330489511516115
Energy: 0.8985158992918076
Energy: 0.9330489511510959
Energy: 0.8985158992933546
Energy: 0.933048951152127
Energy: 0.8985158992918076
Energy: 0.9330489511505801
Energy: 0.8978474111567816
Energy: 0.8856541173252561
Energy: 0.8978474111562658
Energy: 0.8856541173242247
Energy: 0.8978474111567816
Energy: 0.8856541173247405
Energy: 0.8978474111572972
Energy: 0.9101428212577761
Energy: 0.9050338664976102
Energy: 0.9101428212572603
Energy: 0.9050338664976102
Energy: 0.9101428212572603
Energy: 0.9050338664981259
Energy: 0.9101428212572603
Energy: 0.8429649879349806
Energy: 0.9784261181862002
Energy: 0.8429649879360119
Energy: 0.9784261181887784
Energy: 0.8429649879349806
Energy: 0.9784261181877472
Energy: 0.8429649879375589
Energy: 0.898140487482673
Energy: 0.8990386383447933
Energy: 0.898140487482673
Energy: 0.8990386383447933
Energy: 0.898140487482673
Energy: 0.8990386383442776
Energy: 0.898140487482673
Energy: 0.899209768452602
Energy: 0.8676995870334863
Energy: 0.8992097684495081
Energy: 0.8676995870272982
Energy: 0.8992097684520862
Energy: 0.8676995870303923
Energy: 0.8992097684495081
Energy: 0.8962924044394367
Energy: 0.9699286977936077
Energy: 0.8962924044425308
Energy: 0.9699286977946391
Energy: 0.8962924044394367
Energy: 0.9699286977936077
Energy: 0.8962924044420152
Energy: 0.8423660785963809
Energy: 0.8909875136737295
Energy: 0.8423660785948339
Energy: 0.890987513676308
Energy: 0.8423660785974121
Energy: 0.8909875136747609
Energy: 0.8423660785963809
Energy: 0.9013082294150785
Energy: 0.9049848070374864
Energy: 0.9013082294161099
Energy: 0.9049848070364549
Energy: 0.9013082294150785
Energy: 0.904984807038002
Energy: 0.901308229417657
Energy: 0.9036455944604518
Energy: 0.8675856248690613
Energy: 0.9036455944594207
Energy: 0.8675856248711239
Energy: 0.9036455944599362
Energy: 0.8675856248675143
Energy: 0.9036455944594207
Energy: 0.8997937690173098
Energy: 0.8810325405163987
Energy: 0.8997937690178253
Energy: 0.8810325405153674
Energy: 0.8997937690183412
Energy: 0.8810325405153674
Energy: 0.8997937690188568
Energy: 0.9056081130356213
Energy: 0.8816952470102944
Energy: 0.9056081130366526
Energy: 0.88169524701081
Energy: 0.9056081130351056
Energy: 0.88169524701081
Energy: 0.9056081130361369
Energy: 0.9149562420498548
Energy: 0.864187335535091
Energy: 0.9149562420483078
Energy: 0.8641873359783778
Energy: 0.9149562420488235
Energy: 0.8641873357124338
Energy: 0.9149562420477922
Energy: 0.9046621979038691
Energy: 0.8844292447014034
Energy: 0.9046621979043848
Energy: 0.8844292447003722
Energy: 0.9046621979038691
Energy: 0.8844292447024348
Energy: 0.9046621979038691
Energy: 0.8970637186558544
Energy: 0.9261024920778465
Energy: 0.8970637186584328
Energy: 0.9261024920783624
Energy: 0.8970637186558544
Energy: 0.9261024920799094
Energy: 0.8970637186589484
Energy: 0.8943005298643285
Energy: 0.9192312987316462
Energy: 0.8943005298627815
Energy: 0.9192312987331932
Energy: 0.8943005298653598
Energy: 0.919231298732162
Energy: 0.8943005298638128
Energy: 0.9645219908792124
Energy: 0.9227569382459097
Energy: 0.9645219908776654
Energy: 0.9227569382433316
Energy: 0.9645219908781812
Energy: 0.9227569382459097
Energy: 0.9645219908792124
Energy: 0.969310389249102
Energy: 0.9158097382080876
Energy: 0.969310389250649
Energy: 0.9158097382065408
Energy: 0.9693103892496177
Energy: 0.9158097382065408
Energy: 0.9693103892501335
Energy: 0.9471984258098667
Energy: 0.9187731252002608
Energy: 0.9471984252037231
Energy: 0.9187731251966511
Energy: 0.9471984254794645
Energy: 0.9187731251997451
Energy: 0.9471984253841129
Energy: 1.061495115903921
Energy: 0.9366493543657834
Energy: 1.061495115905468
Energy: 0.9366493543657834
Energy: 1.0614951159044366
Energy: 0.9366493543668148
Energy: 1.0614951159059838
Energy: 0.958669691302497
Energy: 0.9226279412761864
Energy: 0.958669691302497
Energy: 0.9226279412772176
Energy: 0.9586696913019814
Energy: 0.9226279412756707
Energy: 0.9586696913035284
Energy: 0.907855791125467
Energy: 0.9189958176059335
Energy: 0.90785579112392
Energy: 0.9189958176064492
Energy: 0.9078557911259828
Energy: 0.9189958176059335
Energy: 0.9078557911234044
Energy: 0.8972603456553425
Energy: 1.1140194596124808
Energy: 0.8972603456568895
Energy: 1.1140194596129964
Energy: 0.8972603456558583
Energy: 1.1140194596124808
Energy: 0.8972603456568895
Energy: 0.8944223310231051
Energy: 0.933891392640596
Energy: 0.8944223310220738
Energy: 0.9338913926400801
Energy: 0.8944223310225895
Energy: 0.9338913926385332
Energy: 0.8944223310210425
Energy: 0.8977163957551598
Energy: 0.8639306823700721
Energy: 0.8977163957536128
Energy: 0.8639306823711035
Energy: 0.8977163957556754
Energy: 0.8639306823736818
Energy: 0.8977163957556754
Energy: 0.9156837302228865
Energy: 0.895657961477274
Energy: 0.9156837302249493
Energy: 0.895657961477274
Energy: 0.9156837302228865
Energy: 0.8956579614777898
Energy: 0.9156837302254649
Energy: 0.8737090136945792
Energy: 1.068577102317613
Energy: 0.8737090136950948
Energy: 1.0685771023170971
Energy: 0.8737090136956105
Energy: 1.068577102317613
Energy: 0.8737090136950948
Energy: 0.9056794502381471
Energy: 0.8981007593524059
Energy: 0.9056794502381471
Energy: 0.8981007593513746
Energy: 0.9056794502381471
Energy: 0.8981007593524059
Energy: 0.9056794502381471
Energy: 0.8858367827461725
Energy: 0.8755464806940502
Energy: 0.8858367827482351
Energy: 0.8755464806935345
Energy: 0.8858367827461725
Energy: 0.8755464806945659
Energy: 0.8858367827477196
Energy: 0.9074323432182554
Energy: 0.852400655443138
Energy: 0.9074323432192868
Energy: 0.8524006554452006
Energy: 0.9074323432187711
Energy: 0.8524006554421065
Energy: 0.9074323432192868
Energy: 0.8551010326208546
Energy: 1.1218964438057757
Energy: 0.8551010326208546
Energy: 1.12189644380526
Energy: 0.8551010326208546
Energy: 1.1218964438057757
Energy: 0.8551010326213702
Energy: 0.9001654303279495
Energy: 0.8978499376533968
Energy: 0.9001654303253711
Energy: 0.8978499376533968
Energy: 0.9001654303284651
Energy: 0.8978499376528812
Energy: 0.9001654303253711
Energy: 0.9018731251775959
Energy: 0.8702298194684752
Energy: 0.9018731251786273
Energy: 0.8702298194684752
Energy: 0.9018731251775959
Energy: 0.8702298194679596
Energy: 0.9018731251786273
Energy: 0.8985603800368779
Energy: 0.969410496928845
Energy: 0.8985603800379093
Energy: 0.9694104969272979
Energy: 0.8985603800373935
Energy: 0.9694104969293604
Energy: 0.8985603800379093
Energy: 0.8549496586146396
Energy: 0.8807257001021177
Energy: 0.8549496586146396
Energy: 0.8807257001041803
Energy: 0.854949658614124
Energy: 0.8807257001026332
Energy: 0.854949658614124
Energy: 0.8994236696234047
Energy: 0.9079719320933292
Energy: 0.8994236696218577
Energy: 0.9079719320938449
Energy: 0.899423669622889
Energy: 0.9079719320933292
Energy: 0.8994236696218577

minimum gb energy = 0.8423660785948339 eV
minimum distance =  2.28074579668937 Angstroms
sigma value = 365


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

Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100429966
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 2.5422980329285574
Energy: 1.0513472657697365
Energy: 2.542298032927422
Energy: 1.051347265770899
Energy: 2.5422980329285574
Energy: 1.0513472657697365
Energy: 2.2441986571512964
Energy: 0.32268887100197435
Energy: 0.33020214697217254
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.33020214697217254
Energy: 0.32268887100197435
Energy: 2.542298032927422
Energy: 1.0513472657697365
Energy: 2.542298032927422
Energy: 1.0513472657697365
Energy: 2.542298032927422
Energy: 1.0513472657697365
Energy: 2.542298032927422
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.33020214697217254
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 2.244198657150134
Energy: 1.051347265770899
Energy: 2.00194428608782
Energy: 1.0513472657697365
Energy: 2.0019442860889822
Energy: 1.051347265770899
Energy: 1.9949963198637748
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 2.542298032927422
Energy: 1.051347265770899
Energy: 2.2441986571512964
Energy: 1.051347265770899
Energy: 2.00194428608782
Energy: 1.0513472657697365
Energy: 1.9949963198719132
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.33020214697217254
Energy: 0.32268887100313703
Energy: 2.2441986571512964
Energy: 1.0513472657697365
Energy: 2.244198657150134
Energy: 1.0513472657697365
Energy: 2.2441986571512964
Energy: 1.0513472657697365
Energy: 2.0019442860889822
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.33020214697217254
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 1.879167574854506
Energy: 1.051347265770899
Energy: 1.879167574854506
Energy: 1.0513472657697365
Energy: 1.879167574854506
Energy: 1.051347265770899
Energy: 1.879167574854506
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 2.542298032927422
Energy: 1.0513472657697365
Energy: 2.4211527252281826
Energy: 1.051347265770899
Energy: 1.9949963198730758
Energy: 1.0513472657697365
Energy: 1.9949963198707503
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.3302021469698473
Energy: 0.32268887100197435
Energy: 0.33020214697217254
Energy: 0.32268887100197435
Energy: 2.2441986571512964
Energy: 1.0513472657697365
Energy: 1.994996319864937
Energy: 1.051347265770899
Energy: 1.879167574854506
Energy: 1.051347265770899
Energy: 1.879167574854506
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 0.33020214697217254
Energy: 0.32268887100313703
Energy: 0.3302021469710099
Energy: 0.32268887100313703
Energy: 2.00194428608782
Energy: 1.051347265770899
Energy: 1.9949963198614755
Energy: 1.0513472657697365
Energy: 1.8791675748556687
Energy: 1.051347265770899
Energy: 1.879167574854506
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 0.3302021469710099
Energy: 0.32268887100197435
Energy: 1.994996319878889
Energy: 1.051347265770899
Energy: 1.994996319878889
Energy: 1.051347265770899
Energy: 1.879167574854506
Energy: 1.0513472657697365
Energy: 1.879167574854506

minimum gb energy = 0.32268887100197435 eV
minimum distance =  2.28771626031547 Angstroms
sigma value = 23