Model name: model_name=MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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=3.611098513007164
cohesive_energy=4.242432836277799
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: 0.020127268299761476
Energy: 0.47273922785965805
Energy: 0.4874863328072162
Energy: 0.47281921154811374
Energy: 0.020127268299761476
Energy: 0.4727392278603994
Energy: 0.4874863328072162
Energy: 0.48699304615096656
Energy: 0.020709670866008886
Energy: 0.24316852331039956
Energy: 0.02099529058800334
Energy: 0.48699304615096656
Energy: 0.020709670866008886
Energy: 0.24316852331290867
Energy: 0.020127268299761476
Energy: 0.47273922785965805
Energy: 1.2494150684757726
Energy: 0.47281921154811374
Energy: 0.020127268299761476
Energy: 0.4727392278601427
Energy: 0.4874863328072162
Energy: 0.48699304615096656
Energy: 0.020709670866008886
Energy: 0.24316852331039956
Energy: 0.02099529058800334
Energy: 0.48699304615096656
Energy: 0.020709670866008886
Energy: 0.24316852331290867
Energy: 0.020127268299761476
Energy: 0.47273922785988615
Energy: 1.2494150685936722
Energy: 0.47281921154811374
Energy: 0.020127268299761476
Energy: 0.4727392278601427
Energy: 0.48748633280972525
Energy: 0.48699304615096656
Energy: 0.020709670866008886
Energy: 0.24316852331290867
Energy: 0.02099529058800334
Energy: 0.48699304615096656
Energy: 0.020709670866008886
Energy: 0.24316852331290867

minimum gb energy = 0.020127268299761476 eV
minimum distance =  2.52980857234542 Angstroms
sigma value = 5


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

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Energy: 0.8223305217130633
Energy: 0.9089810064446487
Energy: 0.8226894185312267
Energy: 0.8280592994584606
Energy: 0.8223305217130633
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Energy: 0.9351177667532206
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Energy: 0.8517223251777085
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Energy: 0.9623743886772292
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Energy: 0.9781070981531488
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Energy: 0.9263312235209784
Energy: 0.9791890544393811
Energy: 0.5832175352009622
Energy: 0.8492434060576978
Energy: 0.9718192643977954
Energy: 0.9791890544485213
Energy: 0.5832175351304587
Energy: 0.8492434060546323
Energy: 0.9098346986018819
Energy: 0.8985707646234738
Energy: 0.8741730475788695
Energy: 0.9197283811620535
Energy: 0.9098346986018819
Energy: 0.8985707646234738
Energy: 0.8741730475758039
Energy: 0.9308444896541529
Energy: 0.9106559900497804
Energy: 0.8936924230697016
Energy: 0.903796070205698
Energy: 0.9308444896510876
Energy: 0.9106559900436496
Energy: 0.8936924230819632
Energy: 0.9882968679131804
Energy: 0.9186836203967937
Energy: 0.837799854085832
Energy: 0.8977719618000248
Energy: 0.9882968679070497
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Energy: 0.8860471519430934
Energy: 0.8435212059017813
Energy: 0.8339560939939756
Energy: 0.9149849658257259
Energy: 0.886047151940028
Energy: 0.8435212059048467

minimum gb energy = 0.5127879695810819 eV
minimum distance =  2.2656431199322 Angstroms
sigma value = 401


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

Energy: 0.797575054174156
Energy: 0.9266299173339655
Energy: 0.9011569854300862
Energy: 0.9834991584661724
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Energy: 0.9031389867550647
Energy: 0.899686318642006
Energy: 0.9179048497547951
Energy: 0.8939849288488106
Energy: 0.9171280474829239
Energy: 0.899686318642006
Energy: 0.9179048497513157
Energy: 0.9238198718052962
Energy: 0.8799376536319413
Energy: 0.961530640487099
Energy: 0.9433449723762918
Energy: 0.9244506862446858
Energy: 0.879937653635421
Energy: 0.961530640494058
Energy: 0.9433449723797713
Energy: 0.9244366702713308
Energy: 0.9669992768822272
Energy: 0.9475665655780166
Energy: 0.6561143638708542
Energy: 0.9244366702713308
Energy: 0.9669992768822272
Energy: 0.9640534616072269
Energy: 0.9564161401576784
Energy: 0.9809491667559858
Energy: 0.969912332068676
Energy: 0.7139418727042778
Energy: 0.9564161401507194
Energy: 0.9809491667559858
Energy: 0.88521916231128
Energy: 1.0415678214196529
Energy: 0.9527535037647833
Energy: 0.9523232903818428
Energy: 0.7110945201504243
Energy: 1.0415678214161734
Energy: 0.9527535037647833
Energy: 0.9699308919111904
Energy: 1.016484924764171
Energy: 0.9185020024557394
Energy: 0.8542820416851022
Energy: 0.8523609100184024
Energy: 1.0164849247676506
Energy: 0.9185020024557394
Energy: 0.8987220582271491
Energy: 0.9109201956737488
Energy: 0.9309535910251363
Energy: 0.8899245177869427
Energy: 0.8836261970339339
Energy: 0.9109201956702695
Energy: 0.930953591028616
Energy: 0.9554285643745253
Energy: 0.9236517477946247
Energy: 0.9266299173339655
Energy: 0.9011569854335657
Energy: 0.9834991584661724
Energy: 0.9236517477946247
Energy: 0.9266299173339655
Energy: 0.9011569854300862
Energy: 0.9781574826078298
Energy: 0.8435541704754118
Energy: 0.8371377275356865
Energy: 0.9005827989215619
Energy: 0.9781574826113094
Energy: 0.8435541704788913
Energy: 0.8371377275356865

minimum gb energy = 0.6561143638673748 eV
minimum distance =  2.32166461439721 Angstroms
sigma value = 311


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

Energy: 0.9191105997908157
Energy: 1.0073829652948285
Energy: 0.8703111507490238
Energy: 1.0071141239478192
Energy: 0.9191105997916192
Energy: 1.0073829652952304
Energy: 0.9484892268543127
Energy: 1.000416412901933
Energy: 0.9580999937390061
Energy: 0.9566712009417089
Energy: 0.8779325128302661
Energy: 1.0004164129015312
Energy: 0.9580999937402113
Energy: 0.9566712009409053
Energy: 0.8764357911513517
Energy: 0.8899714297456445
Energy: 0.9052468287941959
Energy: 0.9046068697816613
Energy: 0.8764357911545659
Energy: 0.8899714297452427
Energy: 0.8829588494463284
Energy: 0.8828756168617258
Energy: 0.8745148421237074
Energy: 0.8765314135209499
Energy: 0.882785771183683
Energy: 0.8828756168613241
Energy: 0.8745148421249126
Energy: 0.8765314135197446
Energy: 0.9179403312469978
Energy: 0.8927143152021121
Energy: 0.8079293546436872
Energy: 0.8345822805794632
Energy: 0.9179403312478014
Energy: 0.892714315200505
Energy: 0.8419867649003469
Energy: 0.9898481289143645
Energy: 0.8982185499338914
Energy: 0.8474970266858102
Energy: 0.9563195930249685
Energy: 0.9898481289167751
Energy: 0.8982185499342933
Energy: 0.8474970266858102
Energy: 0.9571148920237313
Energy: 0.9054614779432777
Energy: 0.8587787255672344
Energy: 0.8995378313269855
Energy: 0.9571148920253384
Energy: 0.9054614779432777
Energy: 0.8587787255696451
Energy: 0.8506907532014789
Energy: 0.8720583811820108
Energy: 0.9339653803540618
Energy: 0.9264029228971261
Energy: 0.8506907532006753
Energy: 0.8720583811824127
Energy: 0.9339653803540618
Energy: 0.9353877826838338
Energy: 0.8615877376962502
Energy: 0.9154238261198191
Energy: 0.8503957739454835
Energy: 0.9353877826826286
Energy: 0.8615877376974556
Energy: 0.9154238261210244
Energy: 0.9157552378703612
Energy: 0.8745527973621641
Energy: 0.9286856823963067
Energy: 0.9420392138435705
Energy: 0.9157552378695577
Energy: 0.8745527973625659
Energy: 0.9286856823955031
Energy: 1.0585682571568773
Energy: 0.8925008627797676
Energy: 0.9032198641536063
Energy: 0.8975578840974191
Energy: 1.0585682571564756
Energy: 0.892500862780973
Energy: 0.9032198641536063
Energy: 0.9176328468363201
Energy: 0.8839518671901323
Energy: 0.9205322893908667
Energy: 0.9199984007112085
Energy: 0.9176328468351147
Energy: 0.8839518671917393
Energy: 0.9205322893908667
Energy: 0.9401075395683834
Energy: 0.9293245371526713
Energy: 0.9189770400963834
Energy: 0.8802430427416194
Energy: 0.9401075395655711
Energy: 0.9293245371538765
Energy: 0.9189770400947763
Energy: 0.942663010354814
Energy: 0.8482815401236008
Energy: 0.8986940648711284
Energy: 0.835001113500503
Energy: 0.9426630103540106
Energy: 0.8482815401236008
Energy: 0.8986940648687176
Energy: 0.946016130397677
Energy: 0.8803699298374886
Energy: 0.9755004320270401
Energy: 0.9064679876050628
Energy: 0.9460161303968734
Energy: 0.8803699298370868
Energy: 0.9755004320298526
Energy: 0.9138692569927067
Energy: 0.9236878030813733
Energy: 0.9281345126775402
Energy: 0.9029293469818408
Energy: 0.9138692569935103
Energy: 0.9236878030829805
Energy: 0.9281345126791474
Energy: 0.9175494357062521
Energy: 0.8974559012413964
Energy: 0.8518717109812869
Energy: 0.8786108671146319
Energy: 0.9175494357062521
Energy: 0.8974559012426017
Energy: 0.8518717109840993
Energy: 0.9158857192531747
Energy: 0.9201453054300386
Energy: 0.9252273077820631
Energy: 0.8745952822927662
Energy: 0.9158857192539783
Energy: 0.9201453054296368
Energy: 0.9252273077792508
Energy: 0.9362298210820981
Energy: 0.8593659098054783
Energy: 0.9327489569094923
Energy: 0.8470600758898554
Energy: 0.9362298210825
Energy: 0.8593659098046748
Energy: 0.9507655830051426
Energy: 0.8550895171055896
Energy: 0.9288892977743269
Energy: 0.8799805824637137
Energy: 0.8428204402389537
Energy: 0.855089517106393
Energy: 0.9288892977739253
Energy: 0.8799805824633118
Energy: 0.9887213886588254
Energy: 0.8996210104821356
Energy: 1.0479553730140432
Energy: 0.9410391329183881
Energy: 0.9887213886576202
Energy: 0.8996210104829392
Energy: 1.0479553730140432
Energy: 0.9389895887486306
Energy: 0.9561691711977852
Energy: 0.8956400999952969
Energy: 0.8980267273998518
Energy: 0.9389895887470234
Energy: 0.9561691711965798
Energy: 0.8956400999956987
Energy: 0.8855710363222521
Energy: 0.8349530925292128
Energy: 0.8313366748890045
Energy: 0.8926205827263742
Energy: 0.8855710363222521
Energy: 0.8349530925276056
Energy: 0.8313366748873974
Energy: 0.8753532713669283
Energy: 0.9257772696736241
Energy: 0.9086651588775804
Energy: 0.8804812895723958
Energy: 0.8753532713661247
Energy: 0.9257772696748293
Energy: 0.9086651588775804
Energy: 0.8768447885146505
Energy: 0.9164199681882502
Energy: 0.8846752701348741
Energy: 0.8462711497720798
Energy: 0.876844788515856
Energy: 0.9164199681878484
Energy: 0.8846752701348741
Energy: 0.9096323355688671
Energy: 0.8784042326780539
Energy: 0.9641361614540079
Energy: 0.8696302521960877
Energy: 0.9096323355672601
Energy: 0.8784042326772868
Energy: 0.9641361614544097
Energy: 0.9192618316760183
Energy: 1.0090865731878818
Energy: 0.94383658015832
Energy: 1.0073166257509825
Energy: 0.9192618316764202
Energy: 1.0090865731886853
Energy: 0.9438365801599271
Energy: 0.967486684873827
Energy: 0.9754295662699826
Energy: 0.956573038157517
Energy: 0.9233172810047299
Energy: 0.967486684873827
Energy: 0.9754295662667684
Energy: 0.9565730381579187
Energy: 0.8854666496262849
Energy: 0.848985338749657
Energy: 0.8997374115951908
Energy: 0.9047943608870344
Energy: 0.885466649624276
Energy: 0.8489853387500587
Energy: 0.8997374115947889
Energy: 0.883030844437993
Energy: 0.8752153457162304
Energy: 0.8953805778680425
Energy: 0.940734534859293
Energy: 0.883030844436386
Energy: 0.8752153457174358
Energy: 0.8953805778676407
Energy: 0.864399125718501
Energy: 0.8929656200546011
Energy: 0.83945470705869
Energy: 0.8347448148312224
Energy: 0.8643991257156886
Energy: 0.8929656200570117
Energy: 0.83945470705869
Energy: 0.98878513664979
Energy: 0.8974975323868761
Energy: 0.8635659045996942
Energy: 0.8705767290356226
Energy: 0.9887851366493883
Energy: 0.8974975323868761
Energy: 0.8635659045992924
Energy: 0.9914441881670578
Energy: 0.9224572532363525
Energy: 0.8624912807081184
Energy: 0.8931919142458398
Energy: 0.9914441881674596
Energy: 0.9224572532359507
Energy: 0.8624912807085203
Energy: 0.8357429943041206
Energy: 0.8715374747510811
Energy: 0.9526397966361762
Energy: 0.9289073221288621
Energy: 0.8357429943057277
Energy: 0.8715374747522864
Energy: 0.9526397966329619
Energy: 0.9231858516448946
Energy: 0.8507670546592251
Energy: 0.972109377511611
Energy: 0.8671366997291334
Energy: 0.9231858516473053
Energy: 0.8507670546592251
Energy: 0.9721093775104055
Energy: 0.9154540414127799
Energy: 0.88659220949662
Energy: 0.9387127607628256
Energy: 0.9250450745601203
Energy: 0.915454041412378
Energy: 0.88659220949662
Energy: 0.9387127607616204

minimum gb energy = 0.8079293546436872 eV
minimum distance =  2.30724342976128 Angstroms
sigma value = 39


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

Energy: 0.8815871702891395
Energy: 1.0585632089115646
Energy: 0.924515807485291
Energy: 1.0587467136023512
Energy: 0.8815871702872426
Energy: 1.0585632089139352
Energy: 0.9551194294478379
Energy: 1.0237714616552978
Energy: 0.8463554402561976
Energy: 0.7360325236591727
Energy: 0.846556402075277
Energy: 1.02377146165103
Energy: 0.8463554402618447
Energy: 0.7360325236563275
Energy: 0.881987379974919
Energy: 0.8424595889547257
Energy: 0.7254652662322104
Energy: 0.8631773981262697
Energy: 0.881987379972074
Energy: 0.8424595889551998
Energy: 0.7254652662369521
Energy: 1.0531997303667902
Energy: 0.8464164957912019
Energy: 0.7361288704956849
Energy: 0.7962369595222588
Energy: 1.0531997303677385
Energy: 0.846416495789305
Energy: 0.7361288704961588
Energy: 0.9700362076820647
Energy: 0.8444245481345688
Energy: 0.8805505167156797
Energy: 1.0479793112136204
Energy: 0.9700362077228438
Energy: 0.8444245481336204
Energy: 0.8499071501909917
Energy: 1.053623868930822
Energy: 0.7238515875447769
Energy: 1.1378423071376176
Energy: 0.7867713696607893
Energy: 1.0536238689327186
Energy: 0.7238515875490444
Energy: 1.1378423071366695
Energy: 1.0914168966042341
Energy: 0.8442042028886486
Energy: 0.9369899484427442
Energy: 0.8642652375131543
Energy: 1.091416896606131
Energy: 0.844204202889597
Energy: 0.8556289779599003
Energy: 1.0534400985313643
Energy: 0.8565742886185373
Energy: 1.1885517897097806
Energy: 0.8569853973898206
Energy: 1.0534400985318384
Energy: 0.8565742886199599
Energy: 1.1885517897093063
Energy: 1.0912722523453067
Energy: 0.8642263109614804
Energy: 0.8886746205219791
Energy: 0.8442271709582959
Energy: 1.0912722523424616
Energy: 0.8642263109600579
Energy: 0.8934430210666588
Energy: 1.0536975999602876
Energy: 0.7872360782978818
Energy: 1.1377265033913806
Energy: 0.7237132842010378
Energy: 1.053697599961236
Energy: 0.787236078295985
Energy: 1.1377265033909063
Energy: 0.9688722225068489
Energy: 1.0479647211778402
Energy: 0.9322211998357274
Energy: 0.8444167179528607
Energy: 0.968872222509694
Energy: 1.047964721177366
Energy: 0.8354935816370918
Energy: 1.0534697073135706
Energy: 0.7885852646766652
Energy: 0.7361120253771328
Energy: 0.8464204095584759
Energy: 1.0534697073145192
Energy: 0.7885852646742942
Energy: 0.7361120253780813
Energy: 0.8823821455429676
Energy: 0.863151028232311
Energy: 0.7622935861207716
Energy: 0.838243356557042
Energy: 0.882382145541545
Energy: 0.8631510282308885
Energy: 0.7745477332983733
Energy: 1.0237347173566687
Energy: 0.84640858667594
Energy: 0.7360254149526974
Energy: 0.8463963153013273
Energy: 1.0237347173590396
Energy: 0.8464085866745605
Energy: 0.7360254149493781
Energy: 0.8815871702886653
Energy: 1.0585632089110903
Energy: 0.9245158074843427
Energy: 1.0587467136023512
Energy: 0.8815871702867686
Energy: 1.0585632089134611
Energy: 0.9551194294317159
Energy: 1.023771461656246
Energy: 0.846355440254775
Energy: 0.7360325236591727
Energy: 0.846556402075277
Energy: 1.02377146165103
Energy: 0.8463554402576201
Energy: 0.7360325236553791
Energy: 0.8819873799734965
Energy: 0.8424595889523548
Energy: 0.7254652662317361
Energy: 0.863177398126744
Energy: 0.8819873799706515
Energy: 0.8424595889509323
Energy: 0.725465266236478
Energy: 1.053199730366316
Energy: 0.8464164957912019
Energy: 0.7361288704966331
Energy: 0.7962369595217847
Energy: 1.0531997303667902
Energy: 0.846416495788831
Energy: 0.7361288704966331
Energy: 0.9700362077228438
Energy: 0.8444245481340945
Energy: 0.8499071501909917
Energy: 1.0479793112155174
Energy: 0.9700362077176279
Energy: 0.8444245481355172
Energy: 0.9382131401115806
Energy: 1.053623868930822
Energy: 0.7238515875466734
Energy: 1.1378423071390402
Energy: 0.7867713696579443
Energy: 1.0536238689327186
Energy: 0.7238515875499927
Energy: 1.1378423071366695
Energy: 1.0914168966042341
Energy: 0.8442042028891228
Energy: 0.855628977956581
Energy: 0.86426523751268
Energy: 1.0914168966047084
Energy: 0.8442042028900713
Energy: 0.8556289779613228
Energy: 1.0534400985323127
Energy: 0.8565742886180633
Energy: 1.1885517897097806
Energy: 0.856985397390769
Energy: 1.0534400985327868
Energy: 0.8565742886199599
Energy: 1.1885517897088322
Energy: 1.0912722523448324
Energy: 0.8642263109614804
Energy: 0.8543031782213414
Energy: 0.8442271709597182
Energy: 1.0912722523419875
Energy: 0.8642263109600579
Energy: 0.8886746205196083
Energy: 1.053697599958865
Energy: 0.7872360782978818
Energy: 1.1377265033913806
Energy: 0.7237132842000894
Energy: 1.0536975999598135
Energy: 0.787236078295985
Energy: 1.1377265033909063
Energy: 0.9688722225092197
Energy: 1.047964721177366
Energy: 0.8006363129416347
Energy: 0.8444167179547574
Energy: 0.9688722225092197
Energy: 1.047964721177366
Energy: 0.8175891527923398
Energy: 1.0534697073116739
Energy: 0.788585264673346
Energy: 0.7361120253757103
Energy: 0.8464204095575275
Energy: 1.0534697073130965
Energy: 0.7885852646714492
Energy: 0.7361120253771328
Energy: 0.8823821455405968
Energy: 0.8631510282304145
Energy: 0.7745477332969508
Energy: 0.8382433565565678
Energy: 0.8823821455410709
Energy: 0.8631510282308885
Energy: 0.7745477332955283
Energy: 1.0237347173561944
Energy: 0.8464085866736122
Energy: 0.7360254149526974
Energy: 0.8463963153008531
Energy: 1.0237347173590396
Energy: 0.8464085866726639
Energy: 0.7360254149498524
Energy: 0.8815871702891395
Energy: 1.0585632089120387
Energy: 0.9551194294369317
Energy: 1.0587467136023512
Energy: 0.8815871702877169
Energy: 1.0585632089144095
Energy: 0.9551194294383544
Energy: 1.023771461656246
Energy: 0.8463554402580944
Energy: 0.7360325236591727
Energy: 0.8465564020738544
Energy: 1.02377146165103
Energy: 0.8463554402576201
Energy: 0.7360325236563275

minimum gb energy = 0.7237132842000894 eV
minimum distance =  2.27654022488848 Angstroms
sigma value = 21


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

Energy: 0.8843231776335317
Energy: 1.0491456459616646
Energy: 0.8413617745351232
Energy: 1.0714182961351844
Energy: 0.8843231776346829
Energy: 1.0491456459605133
Energy: 0.8688861572742193
Energy: 0.9150919771575196
Energy: 0.8782558654768696
Energy: 0.9289619397890737
Energy: 0.8783676336114327
Energy: 0.9150919771586707
Energy: 0.8782558654785703
Energy: 0.9289619397896492
Energy: 0.8026232849726239
Energy: 0.9131369421432499
Energy: 0.7767392066675652
Energy: 0.8365338887735083
Energy: 0.8026232849726239
Energy: 0.9131369421432499
Energy: 0.7767392066669897
Energy: 1.0478029277193501
Energy: 0.8780059893484796
Energy: 0.8758473087583823
Energy: 0.8273887514901722
Energy: 1.047802927717623
Energy: 0.8780059893496308
Energy: 0.8758473087601092
Energy: 0.8295006340515177
Energy: 0.821506874006458
Energy: 0.844740458410816
Energy: 0.8941089204982203
Energy: 0.8295006340520934
Energy: 0.821506874006458
Energy: 0.8447404584113917
Energy: 1.0509217100171242
Energy: 0.8646852167916057
Energy: 0.9084330879926441
Energy: 0.8729642488213712
Energy: 1.0509217100182755
Energy: 0.8646852167933325
Energy: 0.9084330879937954
Energy: 0.9134342284525239
Energy: 0.8058427636709341
Energy: 0.8694264390426876
Energy: 0.8548197956042829
Energy: 0.9134342284530994
Energy: 0.80584276367151
Energy: 0.8872896819834374
Energy: 0.8623495878900534
Energy: 0.9447630498303832
Energy: 0.9506957876948489
Energy: 0.8732706098141757
Energy: 0.8623495878917803
Energy: 0.9447630498298075
Energy: 0.9506957876942732
Energy: 0.885132874099274
Energy: 0.8718484256660244
Energy: 0.9704746189248907
Energy: 0.9303579086671137
Energy: 0.885132874101001
Energy: 0.8718484256648732
Energy: 0.9449536831118511
Energy: 0.904326015876936
Energy: 0.8650274485006089
Energy: 0.8475656388261654
Energy: 0.8729944322840175
Energy: 0.9043260158763603
Energy: 0.8650274485000332
Energy: 0.8475656388261654
Energy: 0.910096645896949
Energy: 0.776954731022459
Energy: 0.9078397766290673
Energy: 0.7780808665997478
Energy: 0.9100966458975246
Energy: 0.7769547310236103
Energy: 0.9078397766284917
Energy: 0.8221531202869055
Energy: 0.8903021515526883
Energy: 0.7776458921236772
Energy: 0.7991475161925257
Energy: 0.8221531202851786
Energy: 0.8903021515509615
Energy: 0.7776458921236772
Energy: 0.9114883745059205
Energy: 0.7771769832162784
Energy: 0.8033970387904019
Energy: 0.712844169052633
Energy: 0.9114883745064961
Energy: 0.7771769832151272
Energy: 0.8033970387915531
Energy: 0.8337205807568949
Energy: 0.8901213047865832
Energy: 0.8169698971610179
Energy: 0.8616520703186663
Energy: 0.8337205807574705
Energy: 0.8901213047871589
Energy: 0.8169698971604422
Energy: 1.0035213225847557
Energy: 0.8080159900454034
Energy: 0.9315447725139676
Energy: 0.7203183167208426
Energy: 1.003521322585907
Energy: 0.8080159900448276
Energy: 0.8938292198551371
Energy: 0.8350103929944834
Energy: 0.9080913855385261
Energy: 0.8538600386013914
Energy: 0.9275178030967314
Energy: 0.8350103929962104
Energy: 0.9080913855373749
Energy: 0.8538600386008158
Energy: 0.9347953013883608
Energy: 0.8116967790976278
Energy: 0.8599734815512959
Energy: 0.8788530795228859
Energy: 0.9347953013877851
Energy: 0.8116967790976278
Energy: 0.8899124528766597
Energy: 0.8420092089551243
Energy: 0.9287206090072758
Energy: 0.8159087453604018
Energy: 0.8489630498583722
Energy: 0.8420092089551243
Energy: 0.9287206090084271
Energy: 0.815908745358675
Energy: 0.8867514615325407
Energy: 0.7991096070677121
Energy: 0.8883201976700708
Energy: 0.8807059975580157
Energy: 0.8867514615313895
Energy: 0.7991096070677121
Energy: 0.8883201976700708
Energy: 0.8408870366694082
Energy: 0.8215152370823645
Energy: 0.7808428340210117
Energy: 0.8214416798266975
Energy: 0.8408870366705595
Energy: 0.8215152370829402
Energy: 0.7808428340187094
Energy: 0.8867418922613088
Energy: 0.8807136897159799
Energy: 0.8966494984606117
Energy: 0.7990887159758576
Energy: 0.8867418922613088
Energy: 0.880713689717131
Energy: 0.8966494984611874
Energy: 0.8337509284157473
Energy: 0.8489956749624676
Energy: 0.815897655264159
Energy: 0.9285003036310132
Energy: 0.8337509284163229
Energy: 0.8489956749584383
Energy: 0.8158976552630076
Energy: 0.9349096311471282
Energy: 0.8788804788377582
Energy: 0.8552276157121503
Energy: 0.8117605368024086
Energy: 0.9349096311454014
Energy: 0.8788804788377582
Energy: 0.8552276157104234
Energy: 0.8349223541662859
Energy: 0.9275969492463001
Energy: 0.8538262032459015
Energy: 0.9079421854530891
Energy: 0.8349223541674371
Energy: 0.9275969492468757
Energy: 0.8538262032447503
Energy: 1.003042511386515
Energy: 0.7192010561311247
Energy: 0.9212326373870955
Energy: 0.8079656539678409
Energy: 1.003042511386515
Energy: 0.7192010561328516
Energy: 0.9212326373865198

minimum gb energy = 0.712844169052633 eV
minimum distance =  2.30255288581666 Angstroms
sigma value = 113


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

Energy: 0.8302821442876445
Energy: 0.9935594370386484
Energy: 0.7245776748552673
Energy: 0.919442060406605
Energy: 0.8302821442908572
Energy: 0.9935594370386484
Energy: 0.7635152482510483
Energy: 0.9335225032341536
Energy: -0.7768450545425932
Energy: 1.0550284519578346
Energy: 0.9063580231325908
Energy: 0.9335225032437914
Energy: -0.7767449627375914
Energy: 1.055028451961047
Energy: 0.8693258529781392
Energy: -0.9444739586385318
Energy: 0.946076227758081
Energy: 0.8631059561802458
Energy: 0.8693258529749267
Energy: -0.871508078921069
Energy: 0.946076227758081
Energy: 0.8226661070824416
Energy: 0.9250252057662722
Energy: 0.8234710676240735
Energy: 0.842334680828166
Energy: 0.8226661070824416
Energy: 0.9250252057694849
Energy: 0.823471067627286
Energy: 0.8782932571675722
Energy: 0.8260771802812878
Energy: 0.865466522540087
Energy: -0.2912559092666657
Energy: 0.8782932571707847
Energy: 0.8260771802812878
Energy: 0.8654665225432995
Energy: 0.7952396826872962
Energy: 0.8531489844194253
Energy: 0.9623637298941623
Energy: 0.7942344265208569
Energy: 0.7952396826905087
Energy: 0.853148984422638
Energy: 0.962363729887737
Energy: 0.8220278359501246
Energy: 0.8239474251771303
Energy: 0.8000884612676891
Energy: 0.7866631065758712
Energy: 0.8220278359469122
Energy: 0.8239474251771303
Energy: 0.8096527819726216
Energy: 0.7823947572542537
Energy: 0.790583855522364
Energy: 1.0202558931909487
Energy: 0.7980063788843691
Energy: 0.7823947572542537
Energy: 0.7905838555191516
Energy: 1.0202558931877361
Energy: 0.817476841457777
Energy: 0.8444782221968924
Energy: 0.8653805267572157
Energy: 0.7841925324644761
Energy: 0.8174768414609895
Energy: 0.8444782221968924
Energy: 0.8653805267604282
Energy: 0.7839346930683627
Energy: 0.7867323011724153
Energy: 0.8277456813804596
Energy: 0.7902637491685095
Energy: 0.7839346930683627
Energy: 0.7867323011659902
Energy: 0.8277456813804596
Energy: 0.8284897362681264
Energy: 0.8420532710649933
Energy: 0.7919751795769174
Energy: 0.8122034308476674
Energy: 0.8284897362617012
Energy: 0.8420532710714185
Energy: 0.8486696717669745
Energy: 0.7808864438603631
Energy: 0.7810379072427046
Energy: 0.8975493671342218
Energy: 0.7817033782058773
Energy: 0.780886443857209
Energy: 0.7810379072459173
Energy: 0.8975493671630768
Energy: 0.8422230170710936
Energy: 0.8645976883612627
Energy: 0.8085399263642994
Energy: 0.8302368581631254
Energy: 0.8422230170710936
Energy: 0.8645976883644754
Energy: 0.8085399263610867
Energy: 0.7558329766945742
Energy: 0.8044747988505742
Energy: 1.0048395209384358
Energy: 0.819176925640144
Energy: 0.7558329766945742
Energy: 0.8044747988505742
Energy: 1.0048395209416483
Energy: 0.8249518117557939
Energy: 0.8669295127918651
Energy: 0.8161303782826284
Energy: 0.8147397662895474
Energy: 0.8249518117622191
Energy: 0.8669295127950776
Energy: 0.8087143226668487
Energy: 0.7555934212181192
Energy: 0.7820634082142981
Energy: 0.866406559542749
Energy: 0.7934137120343627
Energy: 0.7555934212181192
Energy: 0.7820634082175106
Energy: 0.8664065595395366
Energy: 0.7949125909940572
Energy: 0.8651768404534002
Energy: 0.8371180266655529
Energy: 0.8373635541634487
Energy: 0.7949125909908447
Energy: 0.8651768404534002
Energy: 0.8371180266623403
Energy: 0.7819711799616693
Energy: 0.7800146806844613
Energy: 0.7417224626302709
Energy: 0.7741520906348713
Energy: 0.7819711799616693
Energy: 0.7800146806812488
Energy: 0.7417224626302709
Energy: 0.8097523226559745
Energy: 0.7990753963759449
Energy: 0.8672085592575128
Energy: 0.8773866665678471
Energy: 0.8097523226559745
Energy: 0.7990753963727324
Energy: 0.8853068585613045
Energy: 0.8268463240599053
Energy: 0.7824912225568809
Energy: 0.6985142750830793
Energy: 0.776808575546973
Energy: 0.8268463240631179
Energy: 0.7824912225568809
Energy: 0.6985142750862917
Energy: 0.7895899950456484
Energy: 0.7885800803863982
Energy: 0.9321763576849526
Energy: 0.8846586944453091
Energy: 0.7895899950456484
Energy: 0.7885800803863982
Energy: 0.9321763576849526
Energy: 0.8284812322251214
Energy: 0.7846568729621772
Energy: 0.731435542022051
Energy: 0.7846712817438861
Energy: 0.8284812322251214
Energy: 0.7846568729621772
Energy: 0.7314355420252636
Energy: 0.7992533532374889
Energy: 0.8086825503706072
Energy: 0.8096296676239346
Energy: 0.9339883120438225
Energy: 0.7992533532439141
Energy: 0.80868255037382
Energy: 0.8835200856642668
Energy: 0.7927458833989641
Energy: 0.8440857046396072
Energy: 0.7742008502423715
Energy: 0.7778226698708822
Energy: 0.7927458834053893
Energy: 0.8440857046428198
Energy: 0.7742008502423715
Energy: 0.8119688583653167
Energy: 0.8314995760081662
Energy: 0.8201143621582588
Energy: 1.0130871818534546
Energy: 0.8119688583685293
Energy: 0.8314995760049535
Energy: 0.8201143621614713
Energy: 0.8372222094334558
Energy: 0.8373505125742475
Energy: 0.78324000139225
Energy: 0.7352152985817041
Energy: 0.8372222094398809
Energy: 0.8373505125710349
Energy: 0.7832400013954626
Energy: 0.8895312427284952
Energy: 0.8480019522450049
Energy: 0.8561923837540646
Energy: 0.7866903044325626
Energy: 0.8895312427284952
Energy: 0.8480019522450049
Energy: 0.8561923837572772
Energy: 0.8521344768036803
Energy: 0.8474707177892784
Energy: 0.853256266092605
Energy: 0.7881233573825749
Energy: 0.8521344768036803
Energy: 0.8474707177860659
Energy: 0.8532562660893924
Energy: -0.43743997945485685
Energy: 0.8483159143671377
Energy: 0.8561045173624411
Energy: 0.8918706013911206
Energy: -0.43743997923967193
Energy: 0.8483159143703503
Energy: 0.8561045173592285
Energy: 0.8693993708989503
Energy: 0.8880950191104283
Energy: 0.8148946543438098
Energy: 0.7223525389089407
Energy: 0.8693993708989503
Energy: 0.8880950191136411
Energy: 0.8148946543470225
Energy: 0.8486266568674586
Energy: 0.8615222332083864
Energy: 0.961330058127798
Energy: 0.7188205956697751
Energy: 0.8486266568642459
Energy: 0.8615222332020196
Energy: 0.9613300581342232
Energy: 0.8550165034142718
Energy: 0.84442647929544
Energy: 0.7616432524951385
Energy: 0.8232375792032943
Energy: 0.8550165034142718
Energy: 0.8444264792986527
Energy: 0.7616432524951385
Energy: 0.8010100910978494
Energy: 0.8186639148722674
Energy: 0.8546308143960539
Energy: -0.5014291101344945
Energy: 0.8010100911010035
Energy: 0.8186639148690548
Energy: 0.8546308143960539
Energy: 0.9098365935320708
Energy: 0.7833430884730452
Energy: 0.8174964042605294
Energy: 0.8440656747706865
Energy: 0.9098365935320708
Energy: 0.7833430884730452
Energy: 0.8174964042605294
Energy: 0.9603398780658725
Energy: 0.7647231246111442
Energy: 1.010818210504609
Energy: 0.8738847427687142
Energy: 0.9603398780658725
Energy: 0.7647231246143569
Energy: 1.010818210504609
Energy: 0.8983346413193256
Energy: 0.8389808533893931
Energy: 0.81262185001212
Energy: 0.841062183972469
Energy: 0.8983346413257508
Energy: 0.8389808533830263
Energy: 0.8126218500089074
Energy: 0.9596293572572678
Energy: 0.865609485950414
Energy: 0.8636970523088979
Energy: 0.8722720764893193
Energy: 0.9596293572540552
Energy: 0.8656094859568393
Energy: 0.8636970523088979
Energy: 0.8078584928199732
Energy: 0.8398383779455211
Energy: 0.7771613944520714
Energy: 0.8462631910949653
Energy: 0.8078584928167608
Energy: 0.8398383779423085
Energy: 0.7771613944552841
Energy: 0.8714261483718365
Energy: 0.8820980963160137
Energy: 0.7806705905906484
Energy: 0.901216966854751
Energy: 0.871426148368624
Energy: 0.8820980963160137
Energy: 0.7806705905810106
Energy: 0.8078603718822697
Energy: 0.8352767844375819
Energy: 0.7640004458171071
Energy: 0.7973309426182619
Energy: 0.8078603718822697
Energy: 0.8352767844407947
Energy: 0.7640004458171071
Energy: 0.8110197406664587
Energy: 0.8442798153576565
Energy: 0.8294640525694308
Energy: 0.9303434799350261
Energy: 0.811019740663246
Energy: 0.8442798153576565
Energy: 0.8294640525662182
Energy: 0.8078512844857845
Energy: 0.8742766402700517
Energy: 1.0274453765541796
Energy: 0.822213050239859
Energy: 0.807851284482572
Energy: 0.8742766402700517
Energy: 1.0274453765573919
Energy: 0.752275664125962
Energy: 0.844627982616961
Energy: 0.7102554100391846
Energy: 0.933130490704021
Energy: 0.7522756641291748
Energy: 0.844627982616961
Energy: 0.7102554100295468
Energy: 0.8047296072167237
Energy: 0.8725225611122804
Energy: 0.9593016125665602
Energy: 0.839018583999724
Energy: 0.8047296072102985
Energy: 0.8725225611187056
Energy: 0.9593016125697729
Energy: 0.786691424457006
Energy: 0.8443994120474246
Energy: 0.7868419538488903
Energy: 0.9220851849150175
Energy: 0.7866914244505808
Energy: 0.8443994120377868
Energy: 0.7868419538488903

minimum gb energy = -0.9444739586385318 eV
minimum distance =  2.2214093795754 Angstroms
sigma value = 365


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

Energy: 0.7790712982759117
Energy: 0.29984763848494855
Energy: 0.6159854945286373
Energy: 0.29984763848494855
Energy: 0.7790712982759117
Energy: 0.29984763848494855
Energy: 0.3917836081121161
Energy: 0.7790712982751875
Energy: 0.2998476384842242
Energy: 0.8007423360462447
Energy: 0.29984763848567286
Energy: 0.7790712982744631
Energy: 0.29984763848567286
Energy: 0.39187396549892156
Energy: 0.7790712982751875
Energy: 0.2998476384863972
Energy: 0.24583850998333512
Energy: 0.2998476384871215
Energy: 0.7790712982744631
Energy: 0.29984763848494855
Energy: 0.6226653369974479
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.6567767522625256
Energy: 0.2998476384842242
Energy: 0.7790712982766361
Energy: 0.29984763848494855
Energy: 0.3918144643277501
Energy: 0.7790712982744631
Energy: 0.29984763848349993
Energy: 0.6713095407433678
Energy: 0.29984763848567286
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.3917728140726445
Energy: 0.7790712982744631
Energy: 0.2998476384863972
Energy: 1.046314834573457
Energy: 0.2998476384863972
Energy: 0.7790712982744631
Energy: 0.29984763848494855
Energy: 0.6226740552473591
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.6225205910412113
Energy: 0.29984763848494855
Energy: 0.7790712982759117
Energy: 0.29984763848567286
Energy: 0.39190504761447564
Energy: 0.7790712982744631
Energy: 0.29984763848349993
Energy: 0.6713095390615343
Energy: 0.29984763848567286
Energy: 0.7790712982744631
Energy: 0.2998476384863972
Energy: 0.39185736372783037
Energy: 0.7790712982751875
Energy: 0.29984763848494855
Energy: 0.6814832178257336
Energy: 0.29984763848567286
Energy: 0.7790712982744631
Energy: 0.29984763848494855
Energy: 0.6226966445510046
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.6300226376725784
Energy: 0.29984763848494855
Energy: 0.7790712982759117
Energy: 0.29984763848494855
Energy: 0.3918473339997548
Energy: 0.7790712982744631
Energy: 0.29984763848349993
Energy: 0.6920892144757335
Energy: 0.29984763848567286
Energy: 0.7790712982751875
Energy: 0.2998476384871215
Energy: 0.39184585811432204
Energy: 0.7790712982751875
Energy: 0.29984763848494855
Energy: 0.6228818381638215
Energy: 0.2998476384863972
Energy: 0.7790712982744631
Energy: 0.29984763848494855
Energy: 0.6229798033957367
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.3918384187895204
Energy: 0.29984763848494855
Energy: 0.7790712982759117
Energy: 0.29984763848494855
Energy: 0.39184127273327946
Energy: 0.7790712982744631
Energy: 0.29984763848349993
Energy: 0.39231957788643856
Energy: 0.2998476384863972
Energy: 0.7790712982744631
Energy: 0.2998476384863972
Energy: 0.39183736589391793
Energy: 0.7790712982751875
Energy: 0.29984763848494855
Energy: 0.3918642651515696
Energy: 0.29984763848567286
Energy: 0.7790712982744631
Energy: 0.29984763848494855
Energy: 0.39183125900262183
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.3918629065564569
Energy: 0.2998476384842242
Energy: 0.7790712982759117
Energy: 0.29984763848567286
Energy: 0.3918356305405105
Energy: 0.7790712982744631
Energy: 0.2998476384842242
Energy: 0.39186801027763135
Energy: 0.29984763848494855
Energy: 0.7790712982751875
Energy: 0.2998476384871215
Energy: 0.3918616267857061
Energy: 0.7790712982751875
Energy: 0.29984763848494855
Energy: 0.39187935221437853
Energy: 0.2998476384871215
Energy: 0.7790712982744631
Energy: 0.29984763848567286
Energy: 0.39187051974535403
Energy: 0.7790712982751875
Energy: 0.29984763848567286
Energy: 0.3918791154320751
Energy: 0.29984763848494855
Energy: 0.7790712982759117
Energy: 0.29984763848494855
Energy: 0.39187030221268904
Energy: 0.7790712982744631
Energy: 0.29984763848494855
Energy: 0.3918824650852771
Energy: 0.29984763848567286
Energy: 0.7790712982744631
Energy: 0.2998476384863972
Energy: 0.39187819450437167

minimum gb energy = 0.24583850998333512 eV
minimum distance =  2.42042787341889 Angstroms
sigma value = 23