Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5937291532754903
cohesive_energy=4.272647465988353
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: 0.02046824766837301
Energy: 0.4984303205045978
Energy: 0.7498995208183048
Energy: 0.49847885044091317
Energy: 0.02046824766837301
Energy: 0.49843032050485686
Energy: 0.7498995208183048
Energy: 0.5280910390784458
Energy: 0.021218038905569905
Energy: 0.25272849313431517
Energy: 0.02129621990751103
Energy: 0.5280910390784458
Energy: 0.021218038905569905
Energy: 0.25272849313431517
Energy: 0.02046824766837301
Energy: 0.49843032050485686
Energy: 0.7498995208183048
Energy: 0.49847885044091317
Energy: 0.02046824766837301
Energy: 0.4984303205045978
Energy: 0.7498995208183048
Energy: 0.5280910390784458
Energy: 0.02121803890810333
Energy: 0.25272849313431517
Energy: 0.02129621990497761
Energy: 0.5280910390784458
Energy: 0.02121803890810333
Energy: 0.25272849313431517
Energy: 0.02046824766837301
Energy: 0.49843032050485686
Energy: 0.7498995208183048
Energy: 0.49847885044117224
Energy: 0.02046824766837301
Energy: 0.49843032050485686
Energy: 0.7498995208183048
Energy: 0.5280910390784458
Energy: 0.021218038905569905
Energy: 0.25272849313431517
Energy: 0.02129621990751103
Energy: 0.5280910390784458
Energy: 0.021218038905569905
Energy: 0.25272849313431517

minimum gb energy = 0.02046824766837301 eV
minimum distance =  2.51859831442137 Angstroms
sigma value = 5


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

Energy: 1.2187226172589931
Energy: 1.1924251848637204
Energy: 1.1333247821999273
Energy: 1.1915426097544721
Energy: 1.218722617255898
Energy: 1.1924251848637204
Energy: 1.1333247821999273
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Energy: 1.1375058829478268
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Energy: 1.1321010326931389
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Energy: 1.1423853743468713
Energy: 1.1690493717900694
Energy: 1.1321010326931389
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Energy: 1.104034409333696
Energy: 1.1360128331528407
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Energy: 1.104034409333696
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Energy: 1.2183934880375362
Energy: 1.1913237626975188
Energy: 1.1577186969367568
Energy: 1.1511585805453202
Energy: 1.2183934880406313
Energy: 1.191323762700614
Energy: 1.157718696933718
Energy: 1.197570023591375
Energy: 1.1740685114064493
Energy: 1.2170075216510523
Energy: 1.193330753821509
Energy: 1.197570023591375
Energy: 1.1740685114064493
Energy: 1.2170075216510523
Energy: 1.1507386119085257
Energy: 1.1571316862765748
Energy: 1.1209460643376439
Energy: 1.1777980179233727
Energy: 1.1507386119085257
Energy: 1.1571316862765748
Energy: 1.1209460643376439
Energy: 1.132534950642238
Energy: 1.1606981224687143
Energy: 1.282465550552668
Energy: 1.1816217264722308
Energy: 1.132534950642238
Energy: 1.1606981224687143
Energy: 1.282465550552668
Energy: 1.1621715751343065
Energy: 1.1612690338651943
Energy: 1.1115492548905415
Energy: 1.1486418454094804
Energy: 1.1621715751343065
Energy: 1.1612690338651943
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Energy: 1.155674900715617
Energy: 1.1782954174190068
Energy: 1.1467970064460369
Energy: 1.13958673433465
Energy: 1.155674900715617
Energy: 1.1782954174190068

minimum gb energy = 1.08827567924811 eV
minimum distance =  2.28029099488303 Angstroms
sigma value = 401


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

Energy: 1.2535176198608193
Energy: 1.226649482167987
Energy: 1.141613993225676
Energy: 1.1981461464004861
Energy: 1.2535176198608193
Energy: 1.226649482167987
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Energy: 1.2096003037357448
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Energy: 1.105231875094036
Energy: 1.1241994498204788
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Energy: 1.1536076344273052
Energy: 1.1722582768221204
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Energy: 1.1045374863712125
Energy: 1.1536076344273052
Energy: 1.1722582768221204
Energy: 1.1095759656980677
Energy: 1.1657359494102117
Energy: 1.2052857411374651
Energy: 1.2268891195826959
Energy: 1.1095759656980677
Energy: 1.165735949413725
Energy: 1.2052857411374651
Energy: 1.133386755644995
Energy: 1.1437460582662837
Energy: 1.2250860109800645
Energy: 1.2142067655099855
Energy: 1.133386755644995
Energy: 1.1437460582662837
Energy: 1.2250860109765511
Energy: 1.1318281322383206
Energy: 1.2067146629007777
Energy: 1.223494836340675
Energy: 1.211379662032939
Energy: 1.1318281322383206
Energy: 1.2067146629042909
Energy: 1.223494836340675
Energy: 1.1406103177486386
Energy: 1.2376354577900872
Energy: 1.2169311058991668
Energy: 1.2106853562697284
Energy: 1.1406103177486386
Energy: 1.2376354577900872
Energy: 1.2169311058956536
Energy: 1.2178831355746975
Energy: 1.1662201490246127
Energy: 1.2089115067603138
Energy: 1.1849436570352165
Energy: 1.2178831355746975
Energy: 1.1662201490246127
Energy: 1.2089115067568008
Energy: 1.2804029812179012
Energy: 1.226649482167987
Energy: 1.170007947659737
Energy: 1.1981461464004861
Energy: 1.280402981214388
Energy: 1.226649482167987
Energy: 1.170007947659737
Energy: 1.161628662148037
Energy: 1.174807898671138
Energy: 1.1928590341741911
Energy: 1.1695006354897628
Energy: 1.161628662148037
Energy: 1.174807898671138
Energy: 1.1928590341741911

minimum gb energy = 1.1045374863712125 eV
minimum distance =  2.30210634292284 Angstroms
sigma value = 311


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

Energy: 1.182153339334909
Energy: 1.1656208803190082
Energy: 1.2035531090601852
Energy: 1.164932839417424
Energy: 1.182153339332881
Energy: 1.1656208803181969
Energy: 1.2035531090601852
Energy: 1.2481932630666508
Energy: 1.1312809780655895
Energy: 1.1959343039579249
Energy: 1.1761085391228436
Energy: 1.2481932630658392
Energy: 1.1312809780647781
Energy: 1.1959343039575192
Energy: 1.1248027745704212
Energy: 1.2013955963988654
Energy: 1.2473764345285816
Energy: 1.204428349795347
Energy: 1.1248027745696099
Energy: 1.2013955963988654
Energy: 1.2473764345285816
Energy: 1.1307991536399442
Energy: 1.1641630999550914
Energy: 1.208848471787201
Energy: 1.1392416148602003
Energy: 1.1307991536395385
Energy: 1.1641630999546857
Energy: 1.208848471787201
Energy: 1.2141051437589703
Energy: 1.1813534137978807
Energy: 1.1866527637366087
Energy: 1.1872464566130994
Energy: 1.2141051437589703
Energy: 1.181353413797475
Energy: 1.1866527637366087
Energy: 1.1435018917294124
Energy: 1.1702599047694517
Energy: 1.1807544587514898
Energy: 1.1392032433260157
Energy: 1.143501891729818
Energy: 1.1702599047690458
Energy: 1.1807544587514898
Energy: 1.213462132153749
Energy: 1.1905254063073212
Energy: 1.1608936228289906
Energy: 1.164886481369263
Energy: 1.2134621321541548
Energy: 1.1905254063073212
Energy: 1.160893622829802
Energy: 1.171134736649367
Energy: 1.2047972391802104
Energy: 1.1940659893740992
Energy: 1.1917331296645917
Energy: 1.1711347366501783
Energy: 1.2047972391806159
Energy: 1.1940659893740992
Energy: 1.2133373845161128
Energy: 1.1761800650597731
Energy: 1.1977502491210645
Energy: 1.1729437116866808
Energy: 1.2133373845161128
Energy: 1.1761800650593675
Energy: 1.1977502491210645
Energy: 1.2131780097751084
Energy: 1.109896983980204
Energy: 1.256317763058478
Energy: 1.1894151044433232
Energy: 1.2131780097751084
Energy: 1.109896983979798
Energy: 1.2563177630588835
Energy: 1.1532676165930298
Energy: 1.1841327073949064
Energy: 1.248529709861741
Energy: 1.1360402916624184
Energy: 1.1532676165926241
Energy: 1.1841327073945007
Energy: 1.2485297098609296
Energy: 1.2316042244462222
Energy: 1.1692756530861956
Energy: 1.1984629176921544
Energy: 1.2031963990859966
Energy: 1.2316042244458165
Energy: 1.1692756530861956
Energy: 1.1984629176921544
Energy: 1.2248448544587822
Energy: 1.1554882523158618
Energy: 1.2481358151468278
Energy: 1.1618123102850104
Energy: 1.2248448544587822
Energy: 1.1554882523158618
Energy: 1.2481358151464221
Energy: 1.187338936805117
Energy: 1.1890382090112424
Energy: 1.1511426561622544
Energy: 1.204854316179295
Energy: 1.1873389368047111
Energy: 1.1890382090112424
Energy: 1.1511426561622544
Energy: 1.2224069882470026
Energy: 1.1617884330832373
Energy: 1.248008759521172
Energy: 1.1552585083022766
Energy: 1.2224069882470026
Energy: 1.1617884330832373
Energy: 1.2480087595215779
Energy: 1.231591923691346
Energy: 1.2032173884408273
Energy: 1.1986818495681577
Energy: 1.1698125939425945
Energy: 1.231591923691346
Energy: 1.2032173884412327
Energy: 1.198681849568969
Energy: 1.1533981479144182
Energy: 1.1609795050340812
Energy: 1.2485243106135215
Energy: 1.1845144618144914
Energy: 1.1533981478017148
Energy: 1.1609795050340812
Energy: 1.2485243106139274
Energy: 1.2229131286436241
Energy: 1.189769731924794
Energy: 1.2862366053009202
Energy: 1.1094087592835138
Energy: 1.2229131286436241
Energy: 1.189769731924794
Energy: 1.2862366053009202
Energy: 1.2135727013951576
Energy: 1.173027744046619
Energy: 1.1659802233089267
Energy: 1.1764606222065224
Energy: 1.2135727013951576
Energy: 1.1730277440470247
Energy: 1.1659802233089267
Energy: 1.1713137786926795
Energy: 1.1917532429559299
Energy: 1.1952451967506703
Energy: 1.2051363677908493
Energy: 1.171313778693085
Energy: 1.1917532429563356
Energy: 1.1952451967502644
Energy: 1.2135502139763221
Energy: 1.165049765483645
Energy: 1.2119009032166175
Energy: 1.1904596570201145
Energy: 1.2135502139763221
Energy: 1.1650497654840506
Energy: 1.2119009032166175
Energy: 1.1435455276211044
Energy: 1.1572738195697154
Energy: 1.1805675984838182
Energy: 1.146966158352739
Energy: 1.1435455276235384
Energy: 1.1572738195697154
Energy: 1.1805675984834128
Energy: 1.2151298807232438
Energy: 1.1875498162239744
Energy: 1.1317150666746063
Energy: 1.1807102327164134
Energy: 1.2151298807232438
Energy: 1.1875498162239744
Energy: 1.1317150666746063
Energy: 1.1483492811714884
Energy: 1.1397382656876673
Energy: 1.2087243292155747
Energy: 1.1641769360383099
Energy: 1.1483492811706772
Energy: 1.1397382656880732
Energy: 1.2087243292155747
Energy: 1.1245838896577571
Energy: 1.1826613338552368
Energy: 1.2262676483429251
Energy: 1.2162574729099533
Energy: 1.12458388965654
Energy: 1.1826613338552368
Energy: 1.2262676483433308
Energy: 1.2897523050763615
Energy: 1.1762653389854483
Energy: 1.2075004321549407
Energy: 1.131291883416567
Energy: 1.28975230507555
Energy: 1.176265338985854
Energy: 1.2075004321545353
Energy: 1.1821533393332866
Energy: 1.1656208803173855
Energy: 1.19120905154194
Energy: 1.1649328394186411
Energy: 1.182153339334098
Energy: 1.1656208803181969
Energy: 1.19120905154194
Energy: 1.2895804931381452
Energy: 1.1559764736226787
Energy: 1.1959343039583306
Energy: 1.1761085391228436
Energy: 1.2895804931381452
Energy: 1.15597647362349
Energy: 1.1959343039579249
Energy: 1.1328855060578717
Energy: 1.2013955963980543
Energy: 1.2105373321320871
Energy: 1.1825262477761849
Energy: 1.132885506056249
Energy: 1.2013955963984597
Energy: 1.2105373321320871
Energy: 1.1307991536403497
Energy: 1.1641630999546857
Energy: 1.208848471787201
Energy: 1.1392416148602003
Energy: 1.1307991536407556
Energy: 1.16416309995428
Energy: 1.2088484717867956
Energy: 1.2141051437589703
Energy: 1.1813534137982862
Energy: 1.184586047846895
Energy: 1.1872464566139107
Energy: 1.2141051437585648
Energy: 1.1813534137978807
Energy: 1.184586047846895
Energy: 1.143501891729818
Energy: 1.1469567724133225
Energy: 1.1807544587502727
Energy: 1.1615244909996056
Energy: 1.1435018917302235
Energy: 1.1469567724133225
Energy: 1.180754458751084
Energy: 1.2134621321545604
Energy: 1.2005984004241153
Energy: 1.1163748272333722
Energy: 1.164886481369263
Energy: 1.2134621321549661
Energy: 1.200598400424521
Energy: 1.1152938014000118
Energy: 1.1711347366497726
Energy: 1.2047972391806159
Energy: 1.1940659893740992
Energy: 1.1917331296645917
Energy: 1.1711347366501783
Energy: 1.2047972391802104
Energy: 1.1940659893740992
Energy: 1.2140039027127822
Energy: 1.1761800650593675
Energy: 1.1865943310593619
Energy: 1.1729437116874921
Energy: 1.2140039027131881
Energy: 1.1761800650597731
Energy: 1.1865943310593619
Energy: 1.2131780097763254
Energy: 1.1098969839806094
Energy: 1.2869798905714442
Energy: 1.1894151044441343
Energy: 1.213178009775514
Energy: 1.1098969839806094
Energy: 1.2869798905714442

minimum gb energy = 1.1094087592835138 eV
minimum distance =  2.30009978556035 Angstroms
sigma value = 39


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

Energy: 1.1149459408800582
Energy: 1.1554600283419074
Energy: 1.1953604267714648
Energy: 1.15537963400866
Energy: 1.1149459408810158
Energy: 1.1554600283423864
Energy: 1.1953604267714648
Energy: 1.1106544020346323
Energy: 1.093133990297295
Energy: 1.0501689529076805
Energy: 1.0935938482592937
Energy: 1.1106544020336748
Energy: 1.0931339902977737
Energy: 1.0501689529076805
Energy: 1.1177043192027696
Energy: 1.0404365612561537
Energy: 1.04699639245701
Energy: 1.1449439301111255
Energy: 1.1177043192022909
Energy: 1.0404365612561537
Energy: 1.0469963924589252
Energy: 1.1103641298724845
Energy: 1.0933655591898714
Energy: 1.050473588266531
Energy: 1.0325372501044758
Energy: 1.1103641298720057
Energy: 1.0933655591850837
Energy: 1.050473588266531
Energy: 1.2280233771713482
Energy: 1.1448215193350402
Energy: 1.0491645324260472
Energy: 1.1447240070646696
Energy: 1.2280233771713482
Energy: 1.1448215193345612
Energy: 1.0491645324274836
Energy: 1.1104291627955578
Energy: 1.0347932612267015
Energy: 1.0553220583062541
Energy: 1.1087736482905335
Energy: 1.1104291627955578
Energy: 1.0347932612252653
Energy: 1.0553220583057754
Energy: 1.264930602597249
Energy: 1.144618801293897
Energy: 1.1950086740410633
Energy: 1.1452233318453293
Energy: 1.264930602597249
Energy: 1.144618801293418
Energy: 1.1950086740415418
Energy: 1.1105434082560826
Energy: 1.0561219338858223
Energy: 1.096895531333185
Energy: 1.0563576018572358
Energy: 1.1105434082560826
Energy: 1.0561219338858223
Energy: 1.0968955313312698
Energy: 1.2650198466541391
Energy: 1.1450230397914722
Energy: 1.1947520788966666
Energy: 1.1450630307195238
Energy: 1.2650198466541391
Energy: 1.1450230397909935
Energy: 1.1947520788961878
Energy: 1.1104784592556227
Energy: 1.1087288497561998
Energy: 1.0560995493986116
Energy: 1.0354694250121563
Energy: 1.1104784592561014
Energy: 1.108728849753806
Energy: 1.056099549400048
Energy: 1.2278155083042979
Energy: 1.1449947114102876
Energy: 1.0486446520541848
Energy: 1.1449532192720486
Energy: 1.2278155083042979
Energy: 1.144994711411724
Energy: 1.0486446520551425
Energy: 1.1105367025916792
Energy: 1.032708659262595
Energy: 1.0506541099253246
Energy: 1.0935586726811408
Energy: 1.1105367025916792
Energy: 1.0327086592640313
Energy: 1.050654109926282
Energy: 1.1178301448701504
Energy: 1.144727277330967
Energy: 1.0467054295161955
Energy: 1.040590576161096
Energy: 1.1178301448701504
Energy: 1.144727277330967
Energy: 1.046705429514759
Energy: 1.1106180541693904
Energy: 1.0933632889349656
Energy: 1.050383019459184
Energy: 1.0975866283407627
Energy: 1.1106180541689117
Energy: 1.0933632889354443
Energy: 1.050383019459184
Energy: 1.1149459408805371
Energy: 1.1554600283414287
Energy: 1.195360426770986
Energy: 1.1553796340096174
Energy: 1.1149459408814946
Energy: 1.155460028342865
Energy: 1.1953604267705074
Energy: 1.1106544020322386
Energy: 1.0931339902982526
Energy: 1.0501689529076805
Energy: 1.093593848262645
Energy: 1.1106544020322386
Energy: 1.0931339902982526
Energy: 1.0501689529081593
Energy: 1.1177043192027696
Energy: 1.0404365612561537
Energy: 1.0756120997215721
Energy: 1.1449439301116042
Energy: 1.1177043192022909
Energy: 1.0404365612571114
Energy: 1.0756120997215721
Energy: 1.1103641298720057
Energy: 1.093365559197053
Energy: 1.0504735882670098
Energy: 1.0325372501049548
Energy: 1.1103641298724845
Energy: 1.0933655591984894
Energy: 1.050473588266531
Energy: 1.2280233771713482
Energy: 1.1448215193345612
Energy: 1.04916453242892
Energy: 1.1447240070651483
Energy: 1.2280233771703908
Energy: 1.1448215193345612
Energy: 1.0491645324246113
Energy: 1.1104291627960365
Energy: 1.034793261225744
Energy: 1.0553220583062541
Energy: 1.1087736482919697
Energy: 1.1104291627955578
Energy: 1.0347932612267015
Energy: 1.0553220583048177
Energy: 1.264930602597249
Energy: 1.144618801293897
Energy: 1.1950086740410633
Energy: 1.1452233318448506
Energy: 1.264930602597249
Energy: 1.144618801293418
Energy: 1.1950086740410633
Energy: 1.1105434082560826
Energy: 1.0561219338853436
Energy: 1.0968955313307913
Energy: 1.0563576018572358
Energy: 1.1105434082560826
Energy: 1.0561219338853436
Energy: 1.0968955313327065
Energy: 1.2650198466541391
Energy: 1.145023039790036
Energy: 1.2059303223520337
Energy: 1.1450630307200027
Energy: 1.2650198466531817
Energy: 1.145023039790036
Energy: 1.2059303223520337
Energy: 1.1104784592556227
Energy: 1.1087288497547636
Energy: 1.0560995494005267
Energy: 1.0354694250121563
Energy: 1.110478459255144
Energy: 1.1087288497528485
Energy: 1.0560995493986116
Energy: 1.2278155083047766
Energy: 1.1449947114107664
Energy: 1.048644652053706
Energy: 1.1449532192716136
Energy: 1.2278155083047766
Energy: 1.1449947114126815
Energy: 1.0486446520527488
Energy: 1.1105367025912005
Energy: 1.0327086592635526
Energy: 1.0506541099258035
Energy: 1.0935586718513415
Energy: 1.1105367025916792
Energy: 1.0327086592659467
Energy: 1.0506541099258035
Energy: 1.1178301448706291
Energy: 1.144727277330967
Energy: 1.046705429517153
Energy: 1.0405905761606173
Energy: 1.1178301448706291
Energy: 1.1447272773304882
Energy: 1.046705429519068
Energy: 1.1106180541689117
Energy: 1.0933632889354443
Energy: 1.050383019459184
Energy: 1.09758662834172
Energy: 1.1106180541693904
Energy: 1.0933632889354443
Energy: 1.0503830194596628
Energy: 1.1149459408805371
Energy: 1.1554600283419074
Energy: 1.2454485731883864
Energy: 1.1553796340091387
Energy: 1.1149459408810158
Energy: 1.155460028342865
Energy: 1.2454485731883864
Energy: 1.1106544020336748
Energy: 1.093133990297295
Energy: 1.0501689529072018
Energy: 1.093593848262645
Energy: 1.1106544020341536
Energy: 1.0931339902982526
Energy: 1.0501689529076805

minimum gb energy = 1.0325372501044758 eV
minimum distance =  2.32115716289601 Angstroms
sigma value = 21


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

Energy: 1.1663293423122023
Energy: 1.2113632922977253
Energy: 1.1902940537531628
Energy: 1.2116964136996557
Energy: 1.1663293423122023
Energy: 1.2113632922988875
Energy: 1.1902940537525815
Energy: 1.1905407959172263
Energy: 1.1082250049597564
Energy: 1.1667679223619638
Energy: 1.1084939223701666
Energy: 1.1905407959178074
Energy: 1.1082250049597564
Energy: 1.1667679223613825
Energy: 1.166060973780886
Energy: 1.0817338640779341
Energy: 1.0698365832941439
Energy: 1.1159640393184156
Energy: 1.166060973780886
Energy: 1.0817338640773528
Energy: 1.0698365832941439
Energy: 1.1722192879972932
Energy: 1.1078259863164897
Energy: 1.2046490097439317
Energy: 1.1177125963720311
Energy: 1.1722192879972932
Energy: 1.1078259863164897
Energy: 1.2046490097439317
Energy: 1.1074776720428867
Energy: 1.0722541798706988
Energy: 1.0929849314286972
Energy: 1.1316217416346923
Energy: 1.1074776720428867
Energy: 1.0722541798706988
Energy: 1.0929849314286972
Energy: 1.172448268515352
Energy: 1.1192909237455833
Energy: 1.2500806701466909
Energy: 1.1105820615905093
Energy: 1.172448268515352
Energy: 1.119290923745002
Energy: 1.2500806701461096
Energy: 1.1663303183690956
Energy: 1.0792623880773584
Energy: 1.0994922727395506
Energy: 1.117167585700844
Energy: 1.1663303183685143
Energy: 1.0792623880773584
Energy: 1.0994922727395506
Energy: 1.1634857893471096
Energy: 1.1540858653949246
Energy: 1.2540306573246462
Energy: 1.1208455474427417
Energy: 1.1634857893471096
Energy: 1.154085865395506
Energy: 1.2540306573252273
Energy: 1.1636446698304406
Energy: 1.1112017744465956
Energy: 1.1156944523104388
Energy: 1.1281777251545675
Energy: 1.1636446698310219
Energy: 1.1112017744541514
Energy: 1.1156944523104388
Energy: 1.1711622759106721
Energy: 1.118411108524772
Energy: 1.0993506886748434
Energy: 1.1097421970846117
Energy: 1.1711622759106721
Energy: 1.118411108524772
Energy: 1.0993506886748434
Energy: 1.1652709242334562
Energy: 1.1322896166286855
Energy: 1.1234054939165803
Energy: 1.138278791301581
Energy: 1.1652709242334562
Energy: 1.1322896166286855
Energy: 1.1234054939171616
Energy: 1.0492449933585615
Energy: 1.1189044742025993
Energy: 1.139714292194603
Energy: 1.0727572773823584
Energy: 1.0492449933591426
Energy: 1.1189044742025993
Energy: 1.1397142921934407
Energy: 1.1652808983350962
Energy: 1.1155886533186319
Energy: 1.1500517359047533
Energy: 1.114013554419335
Energy: 1.1652808983345153
Energy: 1.115588653319213
Energy: 1.1500517359041722
Energy: 1.0513789709228607
Energy: 1.1188569306912506
Energy: 1.1809667900432006
Energy: 1.1305297868730904
Energy: 1.0513789709228607
Energy: 1.1188569306918321
Energy: 1.1809667900432006
Energy: 1.1846003395892457
Energy: 1.0889013108224497
Energy: 1.122283920078982
Energy: 1.1180377635457381
Energy: 1.1846003395892457
Energy: 1.0889013108224497
Energy: 1.1222839200795633
Energy: 1.0679655813329434
Energy: 1.1577980481130448
Energy: 1.1175309411623746
Energy: 1.1961481978456985
Energy: 1.0679655813329434
Energy: 1.1577980481124637
Energy: 1.1175309411629561
Energy: 1.1846911080425864
Energy: 1.0984913967461871
Energy: 1.0386626103918652
Energy: 1.113768364343467
Energy: 1.1846911080425864
Energy: 1.0984913967456058
Energy: 1.0386626103918652
Energy: 1.0541085956783733
Energy: 1.1116985547985272
Energy: 1.1338530615583227
Energy: 1.1726713802983606
Energy: 1.0541085956783733
Energy: 1.1116985547991085
Energy: 1.1338530615577413
Energy: 1.1667629331468863
Energy: 1.0894129113000612
Energy: 1.154466738510765
Energy: 1.1129180582640585
Energy: 1.1667629331468863
Energy: 1.0894129113000612
Energy: 1.1544667385072778
Energy: 1.054743530649947
Energy: 1.1604347188961093
Energy: 1.1273792796216087
Energy: 1.1605685086745534
Energy: 1.054743530649947
Energy: 1.1604347188961093
Energy: 1.12737927962219
Energy: 1.1664590655446092
Energy: 1.113132155911966
Energy: 1.1543977840076944
Energy: 1.0894017666902522
Energy: 1.1664590655446092
Energy: 1.113132155911966
Energy: 1.1543977840082755
Energy: 1.0541754110135655
Energy: 1.1735057068781878
Energy: 1.1337964818756627
Energy: 1.1122265366247168
Energy: 1.0541754110124029
Energy: 1.1735057068787693
Energy: 1.1337964818750814
Energy: 1.18489465047286
Energy: 1.113470128408072
Energy: 1.0481676582897368
Energy: 1.098616912954991
Energy: 1.18489465047286
Energy: 1.113470128408653
Energy: 1.0481676582897368
Energy: 1.0674404302534584
Energy: 1.1962392453864874
Energy: 1.1176557990400515
Energy: 1.1580733785978945
Energy: 1.06744043025404
Energy: 1.1962392453882311
Energy: 1.1176557990406328
Energy: 1.18451944103207
Energy: 1.1179845709192686
Energy: 1.2228014867613382
Energy: 1.0891104629498631
Energy: 1.18451944103207
Energy: 1.11798457091985
Energy: 1.2228014867607568

minimum gb energy = 1.0386626103918652 eV
minimum distance =  2.28466826807333 Angstroms
sigma value = 113


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

Energy: 1.1319640034882552
Energy: 1.1801610446930066
Energy: 1.0452210034590546
Energy: 1.179695343974436
Energy: 1.1319640034882552
Energy: 1.1801610446930066
Energy: 1.0452210034590546
Energy: 1.1530589630344514
Energy: 1.0971331164393838
Energy: 1.0914838237119548
Energy: 1.0974363739666528
Energy: 1.1530589630344514
Energy: 1.0971331164393838
Energy: 1.0914838237119548
Energy: 1.1314045952846252
Energy: 1.1027045527345714
Energy: 1.1037830264047102
Energy: 1.1117903596996233
Energy: 1.1314045952813814
Energy: 1.1027045527345714
Energy: 1.1037830264047102
Energy: 1.0147314868723125
Energy: 1.097077256984592
Energy: 1.1627338864369925
Energy: 1.1285529910270156
Energy: 1.0147314868690689
Energy: 1.0970772569878358
Energy: 1.1627338864369925
Energy: 1.1658963148412986
Energy: 1.0329807439862813
Energy: 1.1087307675763307
Energy: 1.032057772520617
Energy: 1.165896314838114
Energy: 1.0329807439862813
Energy: 1.1087307675763307
Energy: 1.0141216166093323
Energy: 1.026830572398221
Energy: 1.2197111925581543
Energy: 1.0185318373234906
Energy: 1.0141216166125169
Energy: 1.0268305724014648
Energy: 1.2197111925581543
Energy: 1.0979047637873809
Energy: 1.0330051157656464
Energy: 1.170758870476816
Energy: 1.0348406077211492
Energy: 1.0979047637906245
Energy: 1.0330051157656464
Energy: 1.170758870476816
Energy: 1.0137167018747961
Energy: 1.0725838198121296
Energy: 1.2638907430006814
Energy: 1.0466333479983843
Energy: 1.0137167018747961
Energy: 1.0725838198153732
Energy: 1.2638907430039252
Energy: 1.098792020815949
Energy: 1.0429408947607532
Energy: 1.0871877879078111
Energy: 1.0312262599587287
Energy: 1.098792020815949
Energy: 1.0429408947575096
Energy: 1.0871877879045673
Energy: 1.0139184106781962
Energy: 1.0416404722942552
Energy: 1.1768520775143727
Energy: 1.0584342023405653
Energy: 1.0139184106781962
Energy: 1.0416404722942552
Energy: 1.1768520775143727
Energy: 1.1197839371512208
Energy: 1.052631894246612
Energy: 1.1374251870482204
Energy: 1.0312848831010553
Energy: 1.1197839371512208
Energy: 1.052631894246612
Energy: 1.1374251870482204
Energy: 1.0145640926660113
Energy: 1.0156611190638316
Energy: 1.0988340562669079
Energy: 1.0537564392333971
Energy: 1.0145640926660113
Energy: 1.0156611190605878
Energy: 1.0988340562669079
Energy: 1.1198557616577862
Energy: 1.0236954816212227
Energy: 1.1137574910788037
Energy: 1.0341355866793371
Energy: 1.1198557616577862
Energy: 1.0236954816212227
Energy: 1.1137574910755599
Energy: 1.0675194061228985
Energy: 1.112818945659613
Energy: 1.1593854545807705
Energy: 1.0503449210246194
Energy: 1.0675194061228985
Energy: 1.112818945659613
Energy: 1.1593854545807705
Energy: 1.1206098888056741
Energy: 1.0426885754713573
Energy: 1.158208260664947
Energy: 1.083653037436013
Energy: 1.1206098888024305
Energy: 1.0426885754713573
Energy: 1.158208260664947
Energy: 1.0669608737036584
Energy: 1.027743324214024
Energy: 1.012413792826719
Energy: 1.031779877528171
Energy: 1.0669608737036584
Energy: 1.027743324214024
Energy: 1.012413792826719
Energy: 1.0949743184946952
Energy: 1.0236085313035006
Energy: 1.1576453522192747
Energy: 1.0168434031973492
Energy: 1.0949743184914515
Energy: 1.0236085313035006
Energy: 1.1576453522127874
Energy: 1.0134193438127803
Energy: 1.0306384444702759
Energy: 0.993156649213439
Energy: 1.029240011085195
Energy: 1.0134193438127803
Energy: 1.0306384444702759
Energy: 0.993156649213439
Energy: 1.0949721766174836
Energy: 1.0506563799338007
Energy: 1.0561883021375018
Energy: 1.0449824233714673
Energy: 1.0949721766207272
Energy: 1.0506563799338007
Energy: 1.0561883021342582
Energy: 1.0404780981327515
Energy: 1.0337057244531662
Energy: 1.046178171504192
Energy: 1.0224877826202874
Energy: 1.0404780981295079
Energy: 1.0337057244499224
Energy: 1.046178171504192
Energy: 1.096412965456515
Energy: 1.0423044463750362
Energy: 1.2514824642292912
Energy: 1.0567967337587902
Energy: 1.096412965456515
Energy: 1.0423044463750362
Energy: 1.2514824642260474
Energy: 1.0388706589760295
Energy: 1.026949233632576
Energy: 1.1015468544484528
Energy: 1.0202282367987703
Energy: 1.0388706589760295
Energy: 1.026949233632576
Energy: 1.1015468544484528
Energy: 1.096419278276336
Energy: 1.0413223526275484
Energy: 1.2542609741872583
Energy: 1.0165482001315518
Energy: 1.096419278276336
Energy: 1.0413223526307922
Energy: 1.2542609741872583
Energy: 1.0555531133165375
Energy: 1.046300362680828
Energy: 1.0777542778614808
Energy: 1.0204885709199691
Energy: 1.0555531133165375
Energy: 1.046300362680828
Energy: 1.0777542778647247
Energy: 1.0968384752009788
Energy: 1.1138659110514149
Energy: 1.105027938615337
Energy: 1.1040689888230566
Energy: 1.0968384752009788
Energy: 1.1138659110514149
Energy: 1.105027938615337
Energy: 1.0646101224288969
Energy: 1.111912492244425
Energy: 1.236390707825951
Energy: 1.0689711374903161
Energy: 1.0646101224288969
Energy: 1.1119124922476689
Energy: 1.2363907078227074
Energy: 1.19755928202452
Energy: 1.1170736950883469
Energy: 1.1288619026413207
Energy: 1.1027765701119527
Energy: 1.19755928202452
Energy: 1.1170736950883469
Energy: 1.1288619026413207
Energy: 1.0643830936456442
Energy: 1.192306868487748
Energy: 1.0900898649919646
Energy: 1.1388165338638019
Energy: 1.0643830936456442
Energy: 1.192306868487748
Energy: 1.0900898649919646
Energy: 1.196724132299997
Energy: 1.1185435514507196
Energy: 1.15872160676969
Energy: 1.1783319106775447
Energy: 1.1967241322935098
Energy: 1.1185435514507196
Energy: 1.1587216067729333
Energy: 1.0637897806135836
Energy: 1.1119689779190487
Energy: 1.06994206252097
Energy: 1.0645274001657306
Energy: 1.0637897806135836
Energy: 1.1119689779222923
Energy: 1.0699420625339449
Energy: 1.0997568983065584
Energy: 1.11863845811774
Energy: 1.2091343470483622
Energy: 1.1066844757272052
Energy: 1.0997568983065584
Energy: 1.11863845811774
Energy: 1.2091343470483622
Energy: 1.0635802181372636
Energy: 1.0473849578037002
Energy: 1.14962855031704
Energy: 1.019204779430766
Energy: 1.0635802181372636
Energy: 1.0473849578037002
Energy: 1.1496285503137964
Energy: 1.0988589950159005
Energy: 1.0512186933877885
Energy: 1.2864243795935812
Energy: 1.122485910876617
Energy: 1.0988589950159005
Energy: 1.0512186933877885
Energy: 1.2864243795935812
Energy: 1.0744866452872546
Energy: 1.0496199068852403
Energy: 1.0508482757085411
Energy: 1.0213538178897674
Energy: 1.0744866452872546
Energy: 1.0496199068852403
Energy: 1.0508482757052975
Energy: 1.0731247711233987
Energy: 1.0446620370276063
Energy: 1.218564327405245
Energy: 1.1161677539139696
Energy: 1.0731247711233987
Energy: 1.0446620370276063
Energy: 1.218564327405245
Energy: 1.0746121327779348
Energy: 1.0435123784065974
Energy: 1.1953909882058846
Energy: 1.0369918166008327
Energy: 1.0746121327779348
Energy: 1.0435123784065974
Energy: 1.1953909882058846
Energy: 1.0737180718510384
Energy: 1.0482130181928357
Energy: 1.1196968770914204
Energy: 1.0701010345891346
Energy: 1.0737180718477948
Energy: 1.0482130181928357
Energy: 1.1196968770914204
Energy: 1.071279687808773
Energy: 1.0435147153424233
Energy: 1.1536422256886598
Energy: 1.039462488345436
Energy: 1.071279687808773
Energy: 1.0435147153424233
Energy: 1.1536422256886598
Energy: 1.0737665587348648
Energy: 1.12690423406486
Energy: 1.180619862778568
Energy: 1.054586801574872
Energy: 1.0737665587348648
Energy: 1.12690423406486
Energy: 1.180619862778568
Energy: 1.07138711147976
Energy: 1.0783975501551308
Energy: 1.0616832899063897
Energy: 1.0964389549496165
Energy: 1.07138711147976
Energy: 1.0783975501551308
Energy: 1.0616832899096331
Energy: 1.1264747649053999
Energy: 1.0395949159270284
Energy: 1.2351517866982995
Energy: 1.0547085016583162
Energy: 1.1264747649053999
Energy: 1.0395949159270284
Energy: 1.2351517866950557
Energy: 1.0715561121174426
Energy: 1.0482926073255103
Energy: 1.1774429945605696
Energy: 1.0850803759946952
Energy: 1.0715561121174426
Energy: 1.0482926073222665
Energy: 1.1774429945605696
Energy: 1.0704788957242926
Energy: 1.0400787253027184
Energy: 1.2145562027181032
Energy: 1.0543864365882323
Energy: 1.0704788957242926
Energy: 1.0400787253027184
Energy: 1.2145562027181032
Energy: 1.0712024096695028
Energy: 1.0250232175158984
Energy: 1.3410580838337898
Energy: 1.0210062688114379
Energy: 1.0712024096695028
Energy: 1.0250232175126546
Energy: 1.3410580838402772
Energy: 1.0154410988734839
Energy: 1.1144505816125083
Energy: 1.2738512267375013
Energy: 1.0675190254050764
Energy: 1.0154410988734839
Energy: 1.1144505816092645
Energy: 1.2738512267375013

minimum gb energy = 0.993156649213439 eV
minimum distance =  2.27091184720338 Angstroms
sigma value = 365


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

Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.383945108527187
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 1.383945108527187
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.418710017719532
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.418710017719532
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 1.2491720830572604
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.2491720830623798
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 1.2433992574077137
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 1.2433992574164898
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 1.2611743433534077
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.2611743433534077
Energy: 0.8881837457076003
Energy: 0.8078235845757858
Energy: 1.2032232359557837
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.2032232359557837
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.2002649909757397
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 1.2002649909684262
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 1.3010939318657417
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 1.3010939318657417
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.2069983238672135
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.2069983238672135
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 1.1565388998831416
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 1.1565388998831416
Energy: 0.8881837457076003
Energy: 0.8078235845757858
Energy: 1.0647525779570712
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 1.0647525779461013
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.08543247151787
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845757858
Energy: 1.0854324715186017
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.0561842287980558
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 1.0561842288462906
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.987075388228075
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.9870753882273435
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.9870753882273435
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845765172
Energy: 0.9870753882288062
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.987075388228075
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845757858
Energy: 0.987075388228075
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 0.9870753882273435
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.9870753882273435
Energy: 0.8881837457076003
Energy: 0.8078235845757858
Energy: 0.9870753882288062
Energy: 0.8078235845765172
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 0.9870753882288062
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.9870753882288062
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845757858
Energy: 0.987075388228075
Energy: 0.8881837457068689
Energy: 0.8078235845757858
Energy: 0.987075388228075
Energy: 0.8078235845765172
Energy: 0.8881837457076003
Energy: 0.8078235845765172
Energy: 0.987075388228075

minimum gb energy = 0.8078235845757858 eV
minimum distance =  2.39998945875198 Angstroms
sigma value = 23