Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
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=2.860195450484753
cohesive_energy=4.280338510564498
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: 0.016188337309795922
Energy: 0.41111708633599386
Energy: 0.016188337310204963
Energy: 0.41111708633640287
Energy: 0.016188337310204963
Energy: 0.4111170863355848
Energy: 0.016188337310204963
Energy: 0.01745753836172644
Energy: 0.6578648001228916
Energy: 0.01745753836172644
Energy: 0.6578648001228916
Energy: 0.01745753836172644
Energy: 0.6578648001228916
Energy: 0.01745753836172644
Energy: 0.4474605080996638
Energy: 0.9150164623044185
Energy: 0.4474605080988458
Energy: 0.9150164623044185
Energy: 0.4474605080996638
Energy: 0.9150164623044185
Energy: 0.4474605080996638
Energy: 0.017457538362135483
Energy: 0.6578648001224825
Energy: 0.017457538362135483
Energy: 0.6578648001224825
Energy: 0.01745753836172644
Energy: 0.6578648001232552
Energy: 0.017457538362135483
Energy: 0.016188337309795922
Energy: 0.4111170863355848
Energy: 0.016188337310204963
Energy: 0.4111170863352212
Energy: 0.016188337309795922
Energy: 0.4111170863355848
Energy: 0.016188337309795922
Energy: 0.017457538362135483
Energy: 0.6578648001228916
Energy: 0.017457538362135483
Energy: 0.6578648001232552
Energy: 0.017457538362135483
Energy: 0.6578648001236642
Energy: 0.017457538362544524

minimum gb energy = 0.016188337309795922 eV
minimum distance =  2.47208384779639 Angstroms
sigma value = 5


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

Energy: 1.4618575597960481
Energy: 1.9062161304309597
Energy: 1.4618575597955594
Energy: 1.9062161304324254
Energy: 1.4618575597950707
Energy: 1.9062161304324254
Energy: 1.4618575597945822
Energy: 1.5820969426654503
Energy: 1.5935447592461869
Energy: 1.5820969426654503
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Energy: 1.2642634736682863
Energy: 1.502586628711429
Energy: 1.2642634736697522
Energy: 1.3243571851597447
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Energy: 1.437470028755392
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Energy: 1.2773424953608314
Energy: 1.4375569146038671
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Energy: 1.4375569146043556
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Energy: 1.6508431292876482
Energy: 1.4048972408845408
Energy: 1.6508431292876482
Energy: 1.4048972408845408
Energy: 1.6508431292866712
Energy: 1.4048972408850295
Energy: 1.4701715922830334
Energy: 1.6510505753093045
Energy: 1.4701715922801015
Energy: 1.651050575308327
Energy: 1.4701715922820562
Energy: 1.6510505753088158
Energy: 1.470171592283522
Energy: 1.4494961055436881
Energy: 1.3966922286044186
Energy: 1.449496105542711
Energy: 1.3966922286053958
Energy: 1.4494961055431996
Energy: 1.3966922286039298
Energy: 1.4494961055441766
Energy: 1.442105973673997
Energy: 1.3751158366222216
Energy: 1.4421059736730197
Energy: 1.3751158366227103
Energy: 1.4421059736730197
Energy: 1.3751158366222216
Energy: 1.4421059736744855
Energy: 1.31856414592354
Energy: 1.418105189446222
Energy: 1.3185641459230513
Energy: 1.4181051894467107
Energy: 1.3185641459215853
Energy: 1.418105189446222
Energy: 1.3185641459210968
Energy: 1.4167023515496917
Energy: 1.4128552425541312
Energy: 1.4167023515496917
Energy: 1.4128552425511995
Energy: 1.4167023515501804
Energy: 1.4128552425541312
Energy: 1.4167023515496917

minimum gb energy = 1.2642634736682863 eV
minimum distance =  2.30036385780249 Angstroms
sigma value = 401


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

Energy: 1.5581827789133238
Energy: 1.5679077799490393
Energy: 1.4687029727105323
Energy: 1.5679077799490393
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Energy: 1.4358009082827652
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Energy: 1.5053915433976008
Energy: 1.507191082123989
Energy: 1.4915941355794082
Energy: 1.5072091715552547
Energy: 1.4916048924407292
Energy: 1.5071910821245436
Energy: 1.4915941355810722
Energy: 1.5072091715547002
Energy: 1.395679680597606
Energy: 1.4397196781571404
Energy: 1.3957546629859032
Energy: 1.4397196781576949
Energy: 1.3956796805981606
Energy: 1.4397196781576949
Energy: 1.3957546629859032
Energy: 1.2867466873602407
Energy: 1.5174261479210829
Energy: 1.2866983994036139
Energy: 1.5174261479199735
Energy: 1.2867466873591313
Energy: 1.5174261479172004
Energy: 1.2866983994058325
Energy: 1.3911478435712599
Energy: 1.4045266092972535
Energy: 1.3911478435696463
Energy: 1.4045266092972535
Energy: 1.3911478435701505
Energy: 1.4045266092955897
Energy: 1.3911478435696463
Energy: 1.3254170528915847
Energy: 1.5521275730387558
Energy: 1.3254170528921394
Energy: 1.552127573039865
Energy: 1.325417052888257
Energy: 1.5521275730382011
Energy: 1.3254170528904754
Energy: 1.4687029727088683
Energy: 1.5679077799495937
Energy: 1.4687029727105323
Energy: 1.5679077799484844
Energy: 1.4687029727088683
Energy: 1.5679077799490393
Energy: 1.468702972711087
Energy: 1.259373307549388
Energy: 1.5885041436678635
Energy: 1.2593733075504974
Energy: 1.5882283650374664
Energy: 1.2593733075510518
Energy: 1.5885041436661997
Energy: 1.2593733075516067

minimum gb energy = 1.259373307549388 eV
minimum distance =  2.30188987233147 Angstroms
sigma value = 311


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

Energy: 1.475231859668733
Energy: 1.6801755499769793
Energy: 1.4752318596693734
Energy: 1.6801755499769793
Energy: 1.4752318596700138
Energy: 1.6801755499776199
Energy: 1.475231859670625
Energy: 1.4838799580700477
Energy: 1.3408994763527897
Energy: 1.483879958068767
Energy: 1.3408994763527897
Energy: 1.483879958068767
Energy: 1.34089947635343
Energy: 1.483879958068767
Energy: 1.3741274473846894
Energy: 1.4856614438572884
Energy: 1.3741274473846894
Energy: 1.4856614438579288
Energy: 1.3741274473853298
Energy: 1.4856614438572884
Energy: 1.3741274473853298
Energy: 1.5566458762801045
Energy: 1.5733579453742674
Energy: 1.5566458762794642
Energy: 1.573357945374908
Energy: 1.5566458762801045
Energy: 1.5733579453742674
Energy: 1.556645876280745
Energy: 1.4851671460821898
Energy: 1.5117465497802247
Energy: 1.4851671460821898
Energy: 1.5117465497815057
Energy: 1.4851671460821898
Energy: 1.511746549780865
Energy: 1.4851671460828302
Energy: 1.3354964013732944
Energy: 1.3972070524524394
Energy: 1.3354964013726538
Energy: 1.3972070524524394
Energy: 1.3354964013732944
Energy: 1.3972070524530797
Energy: 1.3354964013726538
Energy: 1.3918653349201409
Energy: 1.4028553942870459
Energy: 1.3918653349201409
Energy: 1.4028553942870459
Energy: 1.3918653349201409
Energy: 1.4028553942870459
Energy: 1.3918653349207812
Energy: 1.6513392744729307
Energy: 1.5493523256485253
Energy: 1.6513392744729307
Energy: 1.5493523256485253
Energy: 1.6513392744729307
Energy: 1.5493523256491657
Energy: 1.6513392744735713
Energy: 1.646893996738208
Energy: 1.5978968394791
Energy: 1.6468939967388485
Energy: 1.5978968394791
Energy: 1.6468939967375675
Energy: 1.5978968394791
Energy: 1.6468939967375675
Energy: 1.3325351779988688
Energy: 1.497915346507987
Energy: 1.3325351779982284
Energy: 1.497915346507987
Energy: 1.3325351779982284
Energy: 1.497915346507987
Energy: 1.3325351779988688
Energy: 1.3567602000950612
Energy: 1.5433257941378355
Energy: 1.3567602000957018
Energy: 1.5433257941384761
Energy: 1.3567602000944208
Energy: 1.5433257941384761
Energy: 1.3567602000944208
Energy: 1.5974842465236392
Energy: 1.5931878267682198
Energy: 1.5974842465236392
Energy: 1.5931878267688604
Energy: 1.5974842465242796
Energy: 1.5931878267688604
Energy: 1.5974842465242796
Energy: 1.5544618618348682
Energy: 1.5537365139448502
Energy: 1.5544618618342279
Energy: 1.5537365139448502
Energy: 1.5544618618355086
Energy: 1.5537365139448502
Energy: 1.5544618618342279
Energy: 1.356172043716858
Energy: 1.4014954913286266
Energy: 1.3561720437162177
Energy: 1.4014954913286266
Energy: 1.356172043716858
Energy: 1.4014954913286266
Energy: 1.3561720437174987
Energy: 1.526017207905849
Energy: 1.4447326423246547
Energy: 1.5260172079052086
Energy: 1.4447326423246547
Energy: 1.526017207905849
Energy: 1.4447326423240143
Energy: 1.526017207905849
Energy: 1.4778635033512664
Energy: 1.5259312544065933
Energy: 1.4778635033512664
Energy: 1.5259312544072337
Energy: 1.4778635033525471
Energy: 1.5259312544065933
Energy: 1.4778635033519067
Energy: 1.4440908740404712
Energy: 1.3843690456912237
Energy: 1.4440908740398308
Energy: 1.3843690456912237
Energy: 1.4440908740391902
Energy: 1.384369045691864
Energy: 1.4440908740398308
Energy: 1.375155495212337
Energy: 1.437939861488041
Energy: 1.375155495213618
Energy: 1.437939861488041
Energy: 1.3751554952129774
Energy: 1.437939861488041
Energy: 1.3751554952129774
Energy: 1.4850091430597223
Energy: 1.576996284324536
Energy: 1.4850091430597223
Energy: 1.5769962843251761
Energy: 1.5983505172146502
Energy: 1.576996284324536
Energy: 1.55788279026206
Energy: 1.5353585002654635
Energy: 1.5073254961380096
Energy: 1.5353585002654635
Energy: 1.5073254961380096
Energy: 1.5353585002661039
Energy: 1.5073254961380096
Energy: 1.5353585002661039
Energy: 1.322497106292657
Energy: 1.3675241803610525
Energy: 1.3224971062920166
Energy: 1.3675241803610525
Energy: 1.3224971062932973
Energy: 1.3675241803610525
Energy: 1.322497106292657
Energy: 1.373265001593762
Energy: 1.4413758429943109
Energy: 1.3732650015931216
Energy: 1.4413758429949513
Energy: 1.373265001593762
Energy: 1.4413758429943109
Energy: 1.373265001593762
Energy: 1.7258435658017521
Energy: 1.6511633615483805
Energy: 1.7258435658023923
Energy: 1.6511633615483805
Energy: 1.7258435658030329
Energy: 1.6511633615483805
Energy: 1.7258435658017521
Energy: 1.5790639789492344
Energy: 1.5704133687572168
Energy: 1.5790639789498748
Energy: 1.5704133687578574
Energy: 1.5790639789492344
Energy: 1.5704133687584978
Energy: 1.5790639789505154
Energy: 1.3581137431800663
Energy: 1.487200274189366
Energy: 1.3581137431807067
Energy: 1.487200274189366
Energy: 1.3581137431807067
Energy: 1.487200274189366
Energy: 1.3581137431800663
Energy: 1.541966440963128
Energy: 1.5594191002052504
Energy: 1.5419664409637395
Energy: 1.5594191002052504
Energy: 1.5419664409643798
Energy: 1.55941910020461
Energy: 1.5419664409637395
Energy: 1.5325707632451366
Energy: 1.572730001106698
Energy: 1.532570763245777
Energy: 1.572730001106698
Energy: 1.5325707632444963
Energy: 1.572730001108619
Energy: 1.5325707632451366
Energy: 1.5009324684133947
Energy: 1.4031465368351426
Energy: 1.5009324684121137
Energy: 1.4031465368351426
Energy: 1.5009324684133947
Energy: 1.403146536834502
Energy: 1.5009324684133947
Energy: 1.331600679610585
Energy: 1.3637804607263562
Energy: 1.3316006796112254
Energy: 1.3637804607263562
Energy: 1.331600679610585
Energy: 1.363780460727637
Energy: 1.331600679610585
Energy: 1.5660373955498974
Energy: 1.484403208195519
Energy: 1.5660373955498974
Energy: 1.484403208195519
Energy: 1.5660373955498974
Energy: 1.4844032081948788
Energy: 1.5660373955498974
Energy: 1.4862081714891622
Energy: 1.5509373932115504
Energy: 1.6322450400431068
Energy: 1.5509373932121908
Energy: 1.5763129274260779
Energy: 1.5509373932109098
Energy: 1.5763129274267182
Energy: 1.3649119367616906
Energy: 1.522105114482603
Energy: 1.3649119367610503
Energy: 1.522105114482603
Energy: 1.3649119367610503
Energy: 1.522105114482603
Energy: 1.3649119367616906
Energy: 1.2949154047416878
Energy: 1.4139214184737816
Energy: 1.2949154047404068
Energy: 1.413921418474422
Energy: 1.2949154047410472
Energy: 1.4139214184737816
Energy: 1.2949154047404068
Energy: 1.5646601244980365
Energy: 1.579683589932587
Energy: 1.5646601244980365
Energy: 1.579683589932587
Energy: 1.5646601244980365
Energy: 1.5796835899332273
Energy: 1.5646601244980365
Energy: 1.3515192404338916
Energy: 1.4883438596713716
Energy: 1.3515192404338916
Energy: 1.488343859672012
Energy: 1.351519240434532
Energy: 1.488343859670731
Energy: 1.3515192404338916
Energy: 1.3062841273691823
Energy: 1.3939003296676509
Energy: 1.306284127368542
Energy: 1.3939003296670103
Energy: 1.306284127367261
Energy: 1.3939003296682912
Energy: 1.306284127367261

minimum gb energy = 1.2949154047404068 eV
minimum distance =  2.25225743565519 Angstroms
sigma value = 39


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

Energy: 1.432811253223982
Energy: 1.4115924104623503
Energy: 1.432811253223982
Energy: 1.4115924104631061
Energy: 1.432811253224738
Energy: 1.4115924104623503
Energy: 1.432811253224738
Energy: 1.480568269151455
Energy: 1.3110269071169776
Energy: 1.480568269151455
Energy: 1.3110269071162215
Energy: 1.4805682691506992
Energy: 1.3110269071162215
Energy: 1.480568269149943
Energy: 1.566887902502056
Energy: 1.3471109924710858
Energy: 1.5668879025013003
Energy: 1.3471109924718074
Energy: 1.5668879025013003
Energy: 1.3471109924718074
Energy: 1.5668879025005444
Energy: 1.5709872689068873
Energy: 1.310853164476049
Energy: 1.5709872689068873
Energy: 1.310853164476049
Energy: 1.5709872689061315
Energy: 1.3108531644752934
Energy: 1.5709872689068873
Energy: 1.4212972124520502
Energy: 1.2516506684127067
Energy: 1.421297212452806
Energy: 1.2516506684119508
Energy: 1.4212972124520502
Energy: 1.2516506684127067
Energy: 1.4212972124512944
Energy: 1.4019394778885301
Energy: 1.3174584186446254
Energy: 1.4019394778870184
Energy: 1.3174584186453813
Energy: 1.4019394778870184
Energy: 1.3174584186468927
Energy: 1.4019394778870184
Energy: 1.586612426078646
Energy: 1.2973007937977645
Energy: 1.586612426078646
Energy: 1.2973007937962528
Energy: 1.5866124260794017
Energy: 1.2973007937970087
Energy: 1.582200751012147
Energy: 1.4995866977263956
Energy: 1.3243519665877046
Energy: 1.4995866977294192
Energy: 1.3243519665877046
Energy: 1.4995866977271517
Energy: 1.3243519665892165
Energy: 1.4995866977279073
Energy: 1.651000216360632
Energy: 1.2760467713603698
Energy: 1.6510002163613877
Energy: 1.2760467713603698
Energy: 1.6510002163613877
Energy: 1.2760467713603698
Energy: 1.6510002163621438
Energy: 1.359028460030882
Energy: 1.4201987997360943
Energy: 1.359028460030882
Energy: 1.4201987997368501
Energy: 1.3590284600293703
Energy: 1.4201987997360943
Energy: 1.3590284600323934
Energy: 1.5016469129260122
Energy: 1.3791712856883076
Energy: 1.5490447273782444
Energy: 1.3791712856883076
Energy: 1.3967269786147665
Energy: 1.3791712856883076
Energy: 1.3967269786132548
Energy: 1.4368350310766504
Energy: 1.3357419456027912
Energy: 1.4368350310774065
Energy: 1.3357419456020352
Energy: 1.4368350310766504
Energy: 1.3357419456027912
Energy: 1.4368350310751388
Energy: 1.7178744532892485
Energy: 1.406516927358048
Energy: 1.7178744532892485
Energy: 1.4065169273588038
Energy: 1.7178744532892485
Energy: 1.4065169273588038
Energy: 1.7178744532900043
Energy: 1.3946725063460863
Energy: 1.2562748621353628
Energy: 1.3946725063468424
Energy: 1.2562748621346067
Energy: 1.3946725063468424
Energy: 1.2562748621346067
Energy: 1.3946725063468424
Energy: 1.3744441651571238
Energy: 1.4085193687392075
Energy: 1.374444165156368
Energy: 1.4085193687392075
Energy: 1.3615262806340171
Energy: 1.4085193687392075
Energy: 1.3154052030227221
Energy: 1.3750724369052363
Energy: 1.2836084154177594
Energy: 1.3750724369052363
Energy: 1.2836084154170038
Energy: 1.3750724369052363
Energy: 1.2836084154170038
Energy: 1.3750724369052363
Energy: 1.6704284300274577
Energy: 1.3260599721038142
Energy: 1.6704284300267018
Energy: 1.3260599721038142
Energy: 1.6704284300267018
Energy: 1.326059972105326
Energy: 1.6704284300274577
Energy: 1.462309735862062
Energy: 1.3281365462255088
Energy: 1.4623097358613062
Energy: 1.3281365462262646
Energy: 1.462309735862062
Energy: 1.3281365462262646
Energy: 1.4623097358613062
Energy: 1.5843466539050521
Energy: 1.4424914451149018
Energy: 1.5843466539042963
Energy: 1.4424914451156579
Energy: 1.5843466539050521
Energy: 1.4424914451164135
Energy: 1.5843466539050521
Energy: 1.4231863253971029
Energy: 1.4755727690966653
Energy: 1.4231863253971029
Energy: 1.4755727690974212
Energy: 1.4231863253971029
Energy: 1.4755727690951537
Energy: 1.4231863253971029
Energy: 1.5891204543141588
Energy: 1.2854863956112204
Energy: 1.5891204543149147
Energy: 1.2854863956112204
Energy: 1.5891204543156705
Energy: 1.285486395612732
Energy: 1.5891204543149147
Energy: 1.5661179220537271
Energy: 1.34808187449371
Energy: 1.5661179220537271
Energy: 1.34808187449371
Energy: 1.5661179220537271
Energy: 1.34808187449371
Energy: 1.5661179220529713
Energy: 1.6126255812341936
Energy: 1.2836672017861108
Energy: 1.6126255812341936
Energy: 1.2836672017853552
Energy: 1.612625581233438
Energy: 1.2836672017861108
Energy: 1.612625581233438
Energy: 1.3854244255827408
Energy: 1.3043965464360268
Energy: 1.3854244255827408
Energy: 1.3043965464360268
Energy: 1.3854244255834967
Energy: 1.3043965464360268
Energy: 1.3854244255834967
Energy: 1.3897479452397756
Energy: 1.24249151515157
Energy: 1.3897479452397756
Energy: 1.24249151515157
Energy: 1.3897479452397756
Energy: 1.242491515152326
Energy: 1.3897479452397756
Energy: 1.467658772589683
Energy: 1.3053718198325044
Energy: 1.4676587725904386
Energy: 1.3053718198317488
Energy: 1.4676587725911945
Energy: 1.3053718198325044
Energy: 1.4676587725911945
Energy: 1.5062157064233193
Energy: 1.3276146896122731
Energy: 1.5062157064225634
Energy: 1.3276146896130288
Energy: 1.506215706424831
Energy: 1.3276146896115517
Energy: 1.506215706424831
Energy: 1.425624900048714
Energy: 1.35178013464582
Energy: 1.4256249000502255
Energy: 1.3517801346450642
Energy: 1.4256249000494698
Energy: 1.35178013464582
Energy: 1.4256249000494698
Energy: 1.3503255601765718
Energy: 1.4115924104615944
Energy: 1.3503255601765718
Energy: 1.4115924104615944
Energy: 1.350325560175816
Energy: 1.4115924104623503
Energy: 1.3503255601765718
Energy: 1.3964958105439482
Energy: 1.3345366374756886
Energy: 1.396495810544704
Energy: 1.3345366374756886
Energy: 1.396495810544704
Energy: 1.3345366374764447
Energy: 1.396495810544704

minimum gb energy = 1.24249151515157 eV
minimum distance =  2.26404668453601 Angstroms
sigma value = 21


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

Energy: 1.2809366880857203
Energy: 1.6715167335339964
Energy: 1.2809366880848028
Energy: 1.6715167335339964
Energy: 1.2809366880848028
Energy: 1.6715167335339964
Energy: 1.2809366880848028
Energy: 1.3061198726187435
Energy: 1.2696979555525634
Energy: 1.3061198726187435
Energy: 1.269697955553481
Energy: 1.3061198726187435
Energy: 1.269697955553481
Energy: 1.3061198726187435
Energy: 1.471188387697086
Energy: 1.6281246601429864
Energy: 1.4711883876980034
Energy: 1.6281246601429864
Energy: 1.471188387697086
Energy: 1.6281246601420687
Energy: 1.4711883876980034
Energy: 1.3578684377273798
Energy: 1.297942404837524
Energy: 1.3578684377273798
Energy: 1.2979424048366064
Energy: 1.3578684377273798
Energy: 1.2979424048366064
Energy: 1.3578684377264623
Energy: 1.160162859463045
Energy: 1.2920998624059168
Energy: 1.1601628594621278
Energy: 1.2920998624068343
Energy: 1.1601628594621278
Energy: 1.2920998624059168
Energy: 1.160162859463045
Energy: 1.1921421842040247
Energy: 1.3097883252040563
Energy: 1.1921421842049424
Energy: 1.3097883252040563
Energy: 1.1921421842040247
Energy: 1.3097883252049738
Energy: 1.1921421842040247
Energy: 1.115527485209204
Energy: 1.5743705589661356
Energy: 1.115527485209204
Energy: 1.5743705589661356
Energy: 1.115527485209204
Energy: 1.5743705589661356
Energy: 1.115527485209204
Energy: 1.3261744196686769
Energy: 1.2626153368229167
Energy: 1.3261744196686769
Energy: 1.2626153368229167
Energy: 1.3261744196695946
Energy: 1.2626153368229167
Energy: 1.3261744196677592
Energy: 1.3006991045459286
Energy: 1.2142887963504485
Energy: 1.3006991045459286
Energy: 1.2142887963504485
Energy: 1.3006991045459286
Energy: 1.2142887963504485
Energy: 1.3006991045459286
Energy: 1.1869459371867734
Energy: 1.5790775638908854
Energy: 1.186945937185856
Energy: 1.5790775638908854
Energy: 1.186945937185856
Energy: 1.5790775638899677
Energy: 1.186945937185856
Energy: 1.1492968017348866
Energy: 1.3591160323128855
Energy: 1.1492968017339689
Energy: 1.3591160323119678
Energy: 1.1492968017348866
Energy: 1.3591160323119678
Energy: 1.1492968017339689
Energy: 1.2407611437747486
Energy: 1.3255741666826593
Energy: 1.2407611437747486
Energy: 1.3255741666826593
Energy: 1.2407611437747486
Energy: 1.3255741666826593
Energy: 1.2407611437756454
Energy: 1.2701085183726388
Energy: 1.2084323708168674
Energy: 1.2701085183726388
Energy: 1.2084323708168674
Energy: 1.2701085183726388
Energy: 1.2084323708177849
Energy: 1.2701085183726388
Energy: 1.415903660544374
Energy: 1.6344394213069176
Energy: 1.4159036605434563
Energy: 1.6344394213078355
Energy: 1.4159036605452917
Energy: 1.6344394213069176
Energy: 1.415903660544374
Energy: 1.2706531560397267
Energy: 1.30801248754642
Energy: 1.2706531560397267
Energy: 1.30801248754642
Energy: 1.270653156038809
Energy: 1.30801248754642
Energy: 1.2706531560397267
Energy: 1.3289617894998078
Energy: 1.5899795287596776
Energy: 1.3289617894998078
Energy: 1.5899795287596776
Energy: 1.3289617894998078
Energy: 1.5899795287596776
Energy: 1.3289617894998078
Energy: 1.3688422780411753
Energy: 1.2297828710954337
Energy: 1.3688422780420928
Energy: 1.2297828710963512
Energy: 1.3688422780411753
Energy: 1.2297828710954337
Energy: 1.3688422780411753
Energy: 1.35652318920792
Energy: 1.6344478473423265
Energy: 1.35652318920792
Energy: 1.6344478473423265
Energy: 1.3565231892070022
Energy: 1.6344478473423265
Energy: 1.3565231892070022
Energy: 1.330694474534299
Energy: 1.2853273856392238
Energy: 1.3306944745352163
Energy: 1.2853273856392238
Energy: 1.330694474534299
Energy: 1.2853273856392238
Energy: 1.3306944745352163
Energy: 1.2232023819329747
Energy: 1.2965630304222346
Energy: 1.2232023819329747
Energy: 1.2965630304222346
Energy: 1.2232023819329747
Energy: 1.2965630304222346
Energy: 1.2232023819320572
Energy: 1.2641122171520043
Energy: 1.321161603213913
Energy: 1.2641122171520043
Energy: 1.321161603213913
Energy: 1.2641122171520043
Energy: 1.321161603213913
Energy: 1.2641122171529218
Energy: 1.1166954372067703
Energy: 1.6207029382648805
Energy: 1.1166954372058528
Energy: 1.6207029382648805
Energy: 1.1166954372067703
Energy: 1.6207029382648805
Energy: 1.1166954372058528
Energy: 1.2121063420025873
Energy: 1.2575710402308695
Energy: 1.212106342003505
Energy: 1.2575710402308695
Energy: 1.2121063420025873
Energy: 1.2575710402317872
Energy: 1.212106342003505
Energy: 1.3048318664946212
Energy: 1.2961657315227144
Energy: 1.3048318664955387
Energy: 1.296165731521797
Energy: 1.3048318664955387
Energy: 1.2961657315227144
Energy: 1.3048318664955387
Energy: 1.2409997469859746
Energy: 1.2931039704948657
Energy: 1.2409997469859746
Energy: 1.2931039704957834
Energy: 1.2409997469859746
Energy: 1.2931039704957834
Energy: 1.240999746985057

minimum gb energy = 1.115527485209204 eV
minimum distance =  2.30591804544126 Angstroms
sigma value = 113


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

Energy: 1.1117538662610855
Energy: 1.4916032105088017
Energy: 1.1117538662600612
Energy: 1.4916032105088017
Energy: 1.111753866258013
Energy: 1.4916032105077774
Energy: 1.1117538662595492
Energy: 1.1553271052968637
Energy: 1.2076743853127425
Energy: 1.1553271053030088
Energy: 1.2076743853117182
Energy: 1.1553271053014726
Energy: 1.2076743853127425
Energy: 1.155327105298912
Energy: 1.278211768378679
Energy: 1.1659778384658404
Energy: 1.2782117683776544
Energy: 1.1659778384653285
Energy: 1.2782117683791907
Energy: 1.1659778384643043
Energy: 1.2782117683771423
Energy: 1.153000570082525
Energy: 1.1682988439280413
Energy: 1.1530005700830368
Energy: 1.1682988439285535
Energy: 1.1530005700835488
Energy: 1.168298843931626
Energy: 1.1530005700835488
Energy: 1.1001907657690686
Energy: 1.3548244650908337
Energy: 1.1001907657726533
Energy: 1.3548244650903216
Energy: 1.1001907657741896
Energy: 1.3548244650892973
Energy: 1.100190765775726
Energy: 1.1486686319512385
Energy: 1.2940612104623357
Energy: 1.1486686319502142
Energy: 1.2940612104633602
Energy: 1.1486686319517505
Energy: 1.2940612104602875
Energy: 1.1486686319522625
Energy: 1.1528519394019283
Energy: 1.10041543404381
Energy: 1.1528519394034646
Energy: 1.1004154339982344
Energy: 1.1528519394029524
Energy: 1.1004154339424637
Energy: 1.1528519394039765
Energy: 1.1415027694988618
Energy: 1.1549765907274863
Energy: 1.1415027694978372
Energy: 1.1549765907264622
Energy: 1.1415027694968132
Energy: 1.1549765907264622
Energy: 1.1415027694978372
Energy: 1.0989666692542914
Energy: 1.259486123859299
Energy: 1.0989666692573639
Energy: 1.259486123859299
Energy: 1.0989666692553155
Energy: 1.2594861238587869
Energy: 1.098966669256852
Energy: 1.109727549291462
Energy: 1.1682814415962859
Energy: 1.1097275492924863
Energy: 1.1682814415957736
Energy: 1.109727549291462
Energy: 1.168281441597822
Energy: 1.109727549291462
Energy: 1.112858462858387
Energy: 1.136040734834849
Energy: 1.1128584628609475
Energy: 1.136040734841506
Energy: 1.1128584628614597
Energy: 1.1360407348368973
Energy: 1.1128584628604354
Energy: 1.0623831302061038
Energy: 1.1182437355158068
Energy: 1.0623831302050792
Energy: 1.1182437355183672
Energy: 1.0623831302045672
Energy: 1.1182437355163188
Energy: 1.0623831302055913
Energy: 1.049420126375815
Energy: 1.2721136450207222
Energy: 1.0494201263732543
Energy: 1.2721136450202102
Energy: 1.049420126376839
Energy: 1.2721136450207222
Energy: 1.049420126375815
Energy: 1.21987345143309
Energy: 1.0918578625928388
Energy: 1.2198734514320657
Energy: 1.0918578625907904
Energy: 1.2198734514320657
Energy: 1.0918578625928388
Energy: 1.2198734514315537
Energy: 1.1746199579801324
Energy: 1.1064454757137845
Energy: 1.1746199579801324
Energy: 1.1064454757163449
Energy: 1.1746199579816687
Energy: 1.1064454757127604
Energy: 1.1746199579806442
Energy: 1.035119328867888
Energy: 1.3002995905266663
Energy: 1.0351193288668634
Energy: 1.3002995905276904
Energy: 1.0351193288668634
Energy: 1.3002995905271784
Energy: 1.0351193288668634
Energy: 1.0056805975965286
Energy: 1.1738852756284768
Energy: 1.0056805975949923
Energy: 1.1738852756284768
Energy: 1.0056805975955043
Energy: 1.173885275630013
Energy: 1.0056805975955043
Energy: 1.091668685904441
Energy: 1.1419163427341037
Energy: 1.0916686859013687
Energy: 1.1419163427335917
Energy: 1.0916686859049534
Energy: 1.1419163427341037
Energy: 1.0916686859039293
Energy: 1.1359056329871065
Energy: 1.0486505012179907
Energy: 1.1359056329865944
Energy: 1.0486505012179907
Energy: 1.1359056329876185
Energy: 1.0486505012185026
Energy: 1.1359056329860824
Energy: 1.1138908981831526
Energy: 1.2397355688156617
Energy: 1.113890898181104
Energy: 1.2397355688131013
Energy: 1.1138908981821283
Energy: 1.2397355688151495
Energy: 1.11389089818008
Energy: 1.1786631144260442
Energy: 1.0931783619701188
Energy: 1.1786631144250668
Energy: 1.0931783619711433
Energy: 1.1786631144255788
Energy: 1.0931783619711433
Energy: 1.1786631144260442
Energy: 1.1219449071512537
Energy: 1.1454779566140052
Energy: 1.121944907153302
Energy: 1.1454779566150293
Energy: 1.1219449071512537
Energy: 1.1454779566160533
Energy: 1.1219449071522778
Energy: 1.0709929543464471
Energy: 1.1198000059722117
Energy: 1.0709929543449106
Energy: 1.1198000059706754
Energy: 1.0709929543464471
Energy: 1.1198000059727238
Energy: 1.0709929543449106
Energy: 1.0366145418239805
Energy: 1.292536343801788
Energy: 1.0366145418275652
Energy: 1.2925363438033244
Energy: 1.0366145418239805
Energy: 1.2925363438028123
Energy: 1.0366145418265407
Energy: 1.1764756394400981
Energy: 1.1813421731496976
Energy: 1.176475639438562
Energy: 1.1813421731496976
Energy: 1.1764756394411224
Energy: 1.1813421731471372
Energy: 1.176475639438562
Energy: 1.2486527701449546
Energy: 1.0978869964778313
Energy: 1.248652770142394
Energy: 1.0978869964778313
Energy: 1.248652770142394
Energy: 1.0978869964783433
Energy: 1.24865277014137
Energy: 1.207379984449237
Energy: 1.215077034810478
Energy: 1.2073799844507733
Energy: 1.215077034809966
Energy: 1.207379984448725
Energy: 1.21507703481099
Energy: 1.2073799844507733
Energy: 1.083984340458427
Energy: 1.4373596206648214
Energy: 1.083984340457403
Energy: 1.4373596206648214
Energy: 1.083984340457915
Energy: 1.437359620667894
Energy: 1.083984340457403
Energy: 1.1933388764717598
Energy: 1.1854858885666737
Energy: 1.1933388764702235
Energy: 1.1854858885656496
Energy: 1.1933388764707356
Energy: 1.1854858885666737
Energy: 1.1933388764748323
Energy: 1.2782619096275158
Energy: 1.151472206355072
Energy: 1.2782619096275158
Energy: 1.151472206355072
Energy: 1.2782619096254675
Energy: 1.15147220635456
Energy: 1.278261909626492
Energy: 1.2203687847460178
Energy: 1.2731260126175634
Energy: 1.2203687847449936
Energy: 1.2731260126170514
Energy: 1.2203687847439695
Energy: 1.2731260126165393
Energy: 1.2203687847465297
Energy: 1.0862476451361265
Energy: 1.3520516199647297
Energy: 1.0862476451361265
Energy: 1.3520516199626813
Energy: 1.08624764513459
Energy: 1.3520516199652417
Energy: 1.0862476451371506
Energy: 1.1869760461634484
Energy: 1.1841257289081797
Energy: 1.1869760461598637
Energy: 1.184125728904595
Energy: 1.1869760461608878
Energy: 1.184125728903571
Energy: 1.186976046161912
Energy: 1.1522971840975407
Energy: 1.1730513865633534
Energy: 1.1522971840970286
Energy: 1.1730513865648897
Energy: 1.1522971840954925
Energy: 1.1730513865633534
Energy: 1.1522971840975407
Energy: 1.1396155359447084
Energy: 1.3288690036786295
Energy: 1.1396155359441962
Energy: 1.3288690036786295
Energy: 1.1396155359421478
Energy: 1.3288690036796533
Energy: 1.1396155359421478
Energy: 1.1329533689531537
Energy: 1.257136012287713
Energy: 1.1329533689526414
Energy: 1.2571360122897615
Energy: 1.1329533689541778
Energy: 1.2571360122861768
Energy: 1.1329533689536657
Energy: 1.2420050520020183
Energy: 1.1498688661912253
Energy: 1.2420050520035544
Energy: 1.1498688661927619
Energy: 1.2420050520020183
Energy: 1.1498688661922496
Energy: 1.2420050520020183
Energy: 1.1185447700098607
Energy: 1.1100890576378666
Energy: 1.1185447700103728
Energy: 1.1100890576368423
Energy: 1.1185447700098607
Energy: 1.110089057634282
Energy: 1.1185447700093485
Energy: 1.0582115005027295
Energy: 1.1324497268144569
Energy: 1.0582115005032415
Energy: 1.132449726813433
Energy: 1.058211500505802
Energy: 1.1324497268144569
Energy: 1.0582115005032415
Energy: 1.0501518010149318
Energy: 1.3417195002792628
Energy: 1.0501518010144195
Energy: 1.3417195002792628
Energy: 1.0501518010133954
Energy: 1.341719500280287
Energy: 1.0501518010149318
Energy: 1.1037850728118932
Energy: 1.0845416690816925
Energy: 1.1037850728098448
Energy: 1.084541669079644
Energy: 1.103785072810869
Energy: 1.0845416690816925
Energy: 1.1037850728083085
Energy: 1.2185793937118683
Energy: 1.064854346980797
Energy: 1.2185793937118683
Energy: 1.064854346981821
Energy: 1.2185793937128926
Energy: 1.0648543469843814
Energy: 1.2185793937113563
Energy: 1.0409559665539414
Energy: 1.2681478321935002
Energy: 1.0409559665544537
Energy: 1.2681478321935002
Energy: 1.0409559665539414
Energy: 1.2681478321935002
Energy: 1.0409559665539414
Energy: 1.0056408226141478
Energy: 1.113205185153998
Energy: 1.0056408226161964
Energy: 1.113205185153998
Energy: 1.0056408226146598
Energy: 1.1132051851529736
Energy: 1.0056408226156839
Energy: 1.0800122662811789
Energy: 1.1240337132282456
Energy: 1.0800122662816911
Energy: 1.1240337132272213
Energy: 1.0800122662811789
Energy: 1.1240337132277336
Energy: 1.0800122662816911

minimum gb energy = 1.0056408226141478 eV
minimum distance =  2.27862370465176 Angstroms
sigma value = 365


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

Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.335446533678341
Energy: 1.3194481026667055
Energy: 2.4181071079703305
Energy: 1.3194481026667055
Energy: 2.1663429033747477
Energy: 1.3194481026667055
Energy: 2.1663802479336502
Energy: 0.35174475724064
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.35174475724064
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.9680599929200184
Energy: 1.319448102665551
Energy: 2.9680598927960262
Energy: 1.319448102665551
Energy: 2.6937497523278098
Energy: 1.319448102665551
Energy: 2.166444942204866
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 2.3354465390954315
Energy: 1.319448102665551
Energy: 2.4181071079657377
Energy: 1.319448102665551
Energy: 2.166444774296736
Energy: 1.319448102665551
Energy: 2.4181071079645835
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.35174475724064
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.1664445242215913
Energy: 1.319448102665551
Energy: 2.1663957442972266
Energy: 1.319448102665551
Energy: 2.3354465336818047
Energy: 1.319448102665551
Energy: 2.3354465339518407
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 2.335446533674877
Energy: 1.319448102665551
Energy: 2.335446534502329
Energy: 1.319448102665551
Energy: 2.418107107986494
Energy: 1.319448102665551
Energy: 2.4181071079841847
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.35174475724064
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.166411847126545
Energy: 1.319448102665551
Energy: 2.4181071079784116
Energy: 1.319448102665551
Energy: 2.1664437066563393
Energy: 1.319448102665551
Energy: 2.6937497523174185
Energy: 0.3517447572429491
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.166403203865615
Energy: 1.3194481026667055
Energy: 2.166444514303711
Energy: 1.319448102665551
Energy: 2.418107107996885
Energy: 1.319448102665551
Energy: 2.335446534528858
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.1664341941265493
Energy: 1.319448102665551
Energy: 2.166443595683157
Energy: 1.319448102665551
Energy: 2.166430884115538
Energy: 1.319448102665551
Energy: 2.693749752328965
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572429491
Energy: 2.1664297178214027
Energy: 1.319448102665551
Energy: 2.418107107956501
Energy: 1.319448102665551
Energy: 2.1664110205897322
Energy: 1.319448102665551
Energy: 2.335446535440567
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 0.407339845034784
Energy: 0.3517447572417946
Energy: 0.4073398450359385
Energy: 0.3517447572417946
Energy: 2.16643396530087
Energy: 1.319448102665551
Energy: 2.166434263986795
Energy: 1.319448102665551
Energy: 2.166401855271235
Energy: 1.319448102665551
Energy: 2.1664284597597443

minimum gb energy = 0.35174475724064 eV
minimum distance =  2.30704299366976 Angstroms
sigma value = 23