Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.24678472710697
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.018680764159829354
Energy: 0.3383074413772504
Energy: 0.3383074413772504
Energy: 0.01868076415837528
Energy: 0.3383074413757964
Energy: 0.3383074413772504
Energy: 0.01868076415837528
Energy: 0.3383074413772504
Energy: 0.3383074413772504
Energy: 0.018680764159829354
Energy: 0.3345940337345983
Energy: 0.022201511879039036
Energy: 0.3344641298835902
Energy: 0.33459403373605234
Energy: 0.022201511879039036
Energy: 0.3344643569042687
Energy: 0.3345940337345983
Energy: 0.02220151188049311
Energy: 0.3344644504685066
Energy: 0.3345940337345983
Energy: 0.7663048573178194
Energy: 1.0542133701684298
Energy: 1.0542133701669758
Energy: 0.7663048566477904
Energy: 1.054213370169884
Energy: 1.0542133701582843
Energy: 0.7663048564123299
Energy: 0.537060659712806
Energy: 1.0542133701568301
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Energy: 0.33459403373605234
Energy: 0.33446387427551527
Energy: 0.02220151188049311
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Energy: 0.02220151188049311
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Energy: 0.33446400253157044
Energy: 0.022201511879039036
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Energy: 0.018680764159829354
Energy: 0.3383074413772504
Energy: 0.3383074413772504
Energy: 0.01868076415837528
Energy: 0.3383074413772504
Energy: 0.3383074413772504
Energy: 0.01868076415837528
Energy: 0.3383074413772504
Energy: 0.3383074413757964
Energy: 0.01868076415837528
Energy: 0.3345940337345983
Energy: 0.02220151188049311
Energy: 0.33446445745657283
Energy: 0.33459403373605234
Energy: 0.02220151188049311
Energy: 0.3344644952819789
Energy: 0.33459403373605234
Energy: 0.02220151188049311
Energy: 0.33446450387609944
Energy: 0.3345940337345983
Energy: 0.766304856476276
Energy: 1.0542133701568301
Energy: 0.6392538391341593
Energy: 0.7663048570518568
Energy: 1.0542133701568301
Energy: 1.0542133701713379
Energy: 0.7663048613684974
Energy: 1.0542133701611596
Energy: 1.0542133701655214
Energy: 0.766304858535802

minimum gb energy = 0.01868076415837528 eV
minimum distance =  2.27878685721526 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: -0.44949318310969943
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Energy: 0.662064120763824

minimum gb energy = -0.7495458574499938 eV
minimum distance =  2.40597420313649 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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minimum gb energy = 0.5086431749604994 eV
minimum distance =  2.26678256846198 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7493844778769088
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Energy: 0.6424621726239151
Energy: 0.7987570974407987
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Energy: 0.6848495255066137
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Energy: 0.7713192509579531
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Energy: 0.9298639390328293
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Energy: 0.8401884473151872
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Energy: 0.8928723431484208
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Energy: 0.7645890965861625
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Energy: 0.9092488875862041
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Energy: 0.6901889930070608
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Energy: 0.6901889930070608
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Energy: 0.8067948470326254
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Energy: 0.8344356586965385
Energy: 0.7504570504495235
Energy: 0.9813908010316095
Energy: 0.6846770642748832
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Energy: 0.9813908010335702
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Energy: 0.9813908010335702
Energy: 0.6846770642591978
Energy: 0.7504570504495235
Energy: 0.6958912812014847
Energy: 0.7663188764579293
Energy: 0.7623853829404604
Energy: 0.6958912812034453
Energy: 0.7663188764559686
Energy: 0.7623853829404604
Energy: 0.6958912812034453
Energy: 0.7663188764579293
Energy: 0.7623853829404604
Energy: 0.6958912812034453
Energy: 0.6846374242497938
Energy: 0.7896583377955667
Energy: 0.8484677513878349
Energy: 0.6846374242478331
Energy: 0.7875684502376714
Energy: 0.8484677513878349
Energy: 0.6846374242478331
Energy: 0.789658337793606
Energy: 0.8484677513878349
Energy: 0.6846374242517544
Energy: 0.9291189159887906
Energy: 0.7902766669431863
Energy: 0.8683475266347341
Energy: 0.9291189159887906
Energy: 0.7899237381587322
Energy: 0.8683475266347341
Energy: 0.9291189159907511
Energy: 0.7902766669451471
Energy: 0.8683475266347341
Energy: 0.9291189159927119
Energy: 0.7509526569886966
Energy: 0.7409828093407993
Energy: 0.8333274589875275
Energy: 0.7509526569886966
Energy: 0.74098280934276
Energy: 0.8333274589875275
Energy: 0.750952656986736
Energy: 0.74098280934276
Energy: 0.8333274589875275
Energy: 0.7509526569906574
Energy: 0.7936598807252971
Energy: 0.9246703684181277
Energy: 0.8389074939687945
Energy: 0.7936598807252971
Energy: 0.9211760023499562
Energy: 0.8389074939668338
Energy: 0.7936598807272578
Energy: 0.9246703684181277
Energy: 0.8389074939668338
Energy: 0.7936598807252971
Energy: 0.9022958188484334
Energy: 0.7957666119711289
Energy: 0.8723381843025522
Energy: 0.9022958188484334
Energy: 0.7953923647012304
Energy: 0.8723381843005915
Energy: 0.9022958188484334
Energy: 0.7957666119730895
Energy: 0.8723381843005915
Energy: 0.9022958188484334
Energy: 0.7485045806245733
Energy: 0.8115503659847044
Energy: 0.7546816946538953
Energy: 0.7485045806265339
Energy: 0.8117705873265066
Energy: 0.7546816946519347
Energy: 0.7485045806265339
Energy: 0.8115503659847044
Energy: 0.7546816946538953
Energy: 0.7485045806265339

minimum gb energy = 0.6424621726239151 eV
minimum distance =  2.34546105594593 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.0031172872860985
Energy: 0.9144190733813999
Energy: 0.9146471241660963
Energy: 0.9498363241193887
Energy: 0.9144190734769807
Energy: 0.9146471241660963
Energy: 1.0031172872867715
Energy: 0.9144190733215549
Energy: 0.9146471241674426
Energy: 0.9498363241193887
Energy: 0.944684968121995
Energy: 0.9273577123635274
Energy: 0.9385800848995377
Energy: 0.9446849681233414
Energy: 0.9273577123621811
Energy: 0.9385800849008841
Energy: 0.944684968121995
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Energy: 0.9385800848995377
Energy: 0.9446849681199756
Energy: 0.9008957812639439
Energy: 0.9150887932106788
Energy: 0.8981060201321335
Energy: 0.9008957812639439
Energy: 0.9150887932113521
Energy: 0.8985333452585835
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Energy: 0.9150887932106788
Energy: 0.8981060201328066
Energy: 0.9008957812639439
Energy: 0.9178880922837859
Energy: 0.9098319182881008
Energy: 0.9284850219697122
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Energy: 0.9284850219690391
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Energy: 0.9048468980583306
Energy: 0.9030071270371225
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Energy: 0.9048468980589426
Energy: 0.9030071270377956
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Energy: 0.9048468980569845
Energy: 0.9030071270371225
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Energy: 0.9334687983259105
Energy: 0.9557253327246001
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Energy: 0.9557253330104858
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Energy: 0.9557253325718666
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Energy: 0.9130714907541787
Energy: 0.9219443296964447
Energy: 0.9039932353731107
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Energy: 0.9880145334093109
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Energy: 0.9880145334079645
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Energy: 0.9880145334086378
Energy: 0.9174930326420796
Energy: 0.910641277911468
Energy: 0.9213725166516227
Energy: 0.9174930326414065
Energy: 0.9106412779121412
Energy: 0.9214196622029547
Energy: 0.9174930326420796
Energy: 0.910641277911468
Energy: 0.9213725166590268
Energy: 0.9174930326420796
Energy: 0.94863451348225
Energy: 0.9180213712390944
Energy: 0.9731938234075473
Energy: 0.933423278953422
Energy: 0.9180213712390944
Energy: 0.973193823406201
Energy: 0.9486345134842695
Energy: 0.9180213712397676
Energy: 0.973193823406201
Energy: 0.9334232789547683
Energy: 0.9655746908049934
Energy: 0.9029741716169123
Energy: 0.9598463555084269
Energy: 0.9023311766517107
Energy: 0.9029741713403888
Energy: 0.928198621843241
Energy: 0.9655746908043202
Energy: 0.9029741713949103
Energy: 0.9598463555070806
Energy: 0.9023311766517107
Energy: 0.9133252798917397
Energy: 0.9281391672572145
Energy: 0.908026492980623
Energy: 0.9133252798910665
Energy: 0.9281391672578876
Energy: 0.9080264929812962
Energy: 0.9133252798903935
Energy: 0.9281391672565412
Energy: 0.9080264929792768
Energy: 0.9133252798917397
Energy: 0.9237750254793742
Energy: 0.9140842613656067
Energy: 0.9169961452427816
Energy: 0.9237750247352271
Energy: 0.9140842613649336
Energy: 0.9169961452575901
Energy: 0.9237750241976618
Energy: 0.9140842613656067
Energy: 0.9169961452501859
Energy: 0.923775024461396
Energy: 0.9236504265012894
Energy: 0.949846786521805
Energy: 0.9282318575586473
Energy: 0.9236504265012894
Energy: 0.9498467864074385
Energy: 0.928231857556628
Energy: 0.9236504265012894
Energy: 0.9498467864309358
Energy: 0.9282318575573012
Energy: 0.9236504265019625
Energy: 0.9498363241193887
Energy: 0.9144190734514028
Energy: 0.9146471241654233
Energy: 0.9498363241193887
Energy: 0.9144190739216578
Energy: 0.9146471241660963
Energy: 0.9498363241193887
Energy: 0.9144190731943995
Energy: 0.9146471241660963
Energy: 0.9498363241193887

minimum gb energy = 0.8981060201321335 eV
minimum distance =  2.32494329470812 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.7838486430922951
Energy: 0.7528905167195492
Energy: 0.7928411842309371
Energy: 0.7666174555232566
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Energy: 0.7928411842309371
Energy: 0.7838486430714023
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Energy: 0.7928411842309371
Energy: 0.7666174555232566
Energy: 0.7766318828705217
Energy: 0.6829392056025987
Energy: 0.8090022067708238
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Energy: 0.6829392056052103
Energy: 0.8090022067682121
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Energy: 0.7356279372656972
Energy: 0.679479506168183
Energy: 0.7269086869853469
Energy: 0.7356279372683087
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Energy: 0.7271969949559339
Energy: 0.7503186661869293
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Energy: 0.7621175082749597
Energy: 0.736379811421419
Energy: 0.7303868007505202
Energy: 0.6992739153329387
Energy: 0.7363798114266421
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Energy: 0.699366807243226
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Energy: 0.736379811421419
Energy: 0.7425717245961855
Energy: 0.8754730717684137
Energy: 0.7009755909824431
Energy: 0.7425717245961855
Energy: 0.8754730717710253
Energy: 0.700801311958872
Energy: 0.7425717245961855
Energy: 0.8754730717684137
Energy: 0.7009755909824431
Energy: 0.7425717245961855
Energy: 0.7022722917428775
Energy: 0.7787554223243004
Energy: 0.782855414799636
Energy: 0.7022722917402661
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Energy: 0.7015426424844766
Energy: 0.6795580846897096
Energy: 0.7989304647190766
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Energy: 0.6951814718082321
Energy: 0.7671954859591315
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Energy: 0.796282651922845
Energy: 0.7012886532427537
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Energy: 0.7270219501015062
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Energy: 0.7270219500988946
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Energy: 0.7596056470004218
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Energy: 0.682921884305468
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Energy: 0.7406803348200691
Energy: 0.7432450755157117
Energy: 0.7597945144647162
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Energy: 0.7472382362172719
Energy: 0.7832539592496
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Energy: 0.7472382362198835
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Energy: 0.6792800266046675
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Energy: 0.7011571720673377
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Energy: 0.7752674830678473
Energy: 0.7913433472009047
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Energy: 0.7913433471982931
Energy: 0.741880628544428
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Energy: 0.8040384170958274
Energy: 0.6999037216520084
Energy: 0.7825429964799465
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Energy: 0.6999037216520084
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Energy: 0.69990372165462
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Energy: 0.7378852073437324
Energy: 0.8616458759487359
Energy: 0.6959704549035993
Energy: 0.7378852073437324
Energy: 0.8616458759487359
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Energy: 0.7378852073437324
Energy: 0.8616458759513475
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Energy: 0.7207625658761149
Energy: 0.7215486315092067
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Energy: 0.7207625658761149
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Energy: 0.682765938741497
Energy: 0.7207625658761149
Energy: 0.7592077442402697
Energy: 0.8904674073521791
Energy: 0.6946901368057191
Energy: 0.7592077442428813
Energy: 0.8904674073495674
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Energy: 0.8904674073521791
Energy: 0.6946901368109423
Energy: 0.7592077442428813
Energy: 0.7408771244774064
Energy: 0.7795139967608773
Energy: 0.7835594319594338
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Energy: 0.7835594319594338
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Energy: 0.7627321896513408
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Energy: 0.7118674941729113
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Energy: 0.7410496716251679
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Energy: 0.7118674941729113
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Energy: 0.7190305922748069
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Energy: 0.720290124024458
Energy: 0.8390194136928579
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Energy: 0.720290124024458
Energy: 0.8390194136928579
Energy: 0.7621588024296139
Energy: 0.720290124024458
Energy: 0.8007144631143972
Energy: 0.6847925085480465
Energy: 0.7481730852000059
Energy: 0.8007144631170088
Energy: 0.6847925085480465
Energy: 0.7481730851973943
Energy: 0.8007144631143972
Energy: 0.6847925085480465
Energy: 0.7481730851973943
Energy: 0.8007144631143972
Energy: 0.7974285056585193
Energy: 0.7918682515772715
Energy: 0.7414423334945539
Energy: 0.7974285056559076
Energy: 0.7918682515824946
Energy: 0.7414423334971655
Energy: 0.7974285056559076
Energy: 0.791868251579883
Energy: 0.7414423334945539
Energy: 0.7974285056559076
Energy: 0.6823143897839888
Energy: 0.7569390147980364
Energy: 0.7634588563261813
Energy: 0.6823143897839888
Energy: 0.7667633899343805
Energy: 0.7634588563287928
Energy: 0.6823143897839888
Energy: 0.756939014800648
Energy: 0.7634588563287928
Energy: 0.6823143897839888
Energy: 0.6826137857234652
Energy: 0.722971370672149
Energy: 0.7215151598070952
Energy: 0.6826137857234652
Energy: 0.7231094925436549
Energy: 0.7214892759326192
Energy: 0.6826137857234652
Energy: 0.722971370672149
Energy: 0.7215151598070952
Energy: 0.6826137857234652
Energy: 0.7038799902674214
Energy: 0.6992670721328162
Energy: 0.7605489704761845
Energy: 0.7038799902674214
Energy: 0.6992586860961368
Energy: 0.7605489704787961
Energy: 0.7038799902674214
Energy: 0.6992670721328162
Energy: 0.7605489704761845
Energy: 0.7038799902674214
Energy: 0.7818195710340611
Energy: 0.6997325070970207
Energy: 0.7880375019474344
Energy: 0.7818195710314495
Energy: 0.6995151648386305
Energy: 0.7880375019474344
Energy: 0.7818195710314495
Energy: 0.699732507094409
Energy: 0.7880375019448227
Energy: 0.7818195710340611
Energy: 0.7723036466377357
Energy: 0.7833515068336382
Energy: 0.6961385227325678
Energy: 0.7723036466377357
Energy: 0.783351506828415
Energy: 0.6961385227325678
Energy: 0.7723036466351242
Energy: 0.7833515068310266
Energy: 0.6961385227299564
Energy: 0.7723036466351242

minimum gb energy = 0.6792800266020559 eV
minimum distance =  2.33883085292697 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.8991112009649805
Energy: 0.35525333841999507
Energy: 0.35387640857932684
Energy: 0.5293961027786275
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Energy: 0.353876408577805
Energy: 0.8991112009662205
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Energy: 0.5293961027782893
Energy: 0.5103153525019468
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Energy: 0.43674148890816156
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Energy: 0.4627513037600848
Energy: 0.3548446427154453
Energy: 0.5223680665174609
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Energy: 0.41776914327163256
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Energy: 0.3531914583846178
Energy: 0.6698949222966303
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Energy: 0.6698949222972502
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Energy: 0.4666734457895762
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Energy: 0.5210513673015881
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Energy: 0.6223933194884531
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Energy: 0.5210513673003481
Energy: 0.6321627273898995
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Energy: 0.36707269907347423
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Energy: 0.6704407212960062
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Energy: 0.670440721295668
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Energy: 0.35525333841999507
Energy: 0.35387640857842495
Energy: 0.6602355503372509
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Energy: 0.35387640857718494
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Energy: 0.3538764085774668
Energy: 0.6602355503372509
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Energy: 0.3549168340375335
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Energy: 0.3548446427157835
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Energy: 0.5769528718101763
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Energy: 0.35319145838709787
Energy: 0.6698949222966303
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Energy: 0.35319145838771787
Energy: 0.6211635267192052
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Energy: 0.37266805585365864
Energy: 0.3604747174262387
Energy: 0.4153601295321435
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Energy: 0.3726680558545605
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Energy: 0.41536012953248175
Energy: 0.37266805585518054
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Energy: 0.6013709009077316
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Energy: 0.6425647046303987
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Energy: 0.36707269907533424
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Energy: 0.35132952398850376
Energy: 0.5880462097929682
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Energy: 0.351329523990082
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Energy: 0.615442507035941
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Energy: 0.45327997688773736
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Energy: 0.3600007575234358
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Energy: 0.3604747174277606
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Energy: 0.6681686280767193
Energy: 0.5210513673003481
Energy: 0.6321627273886594
Energy: 0.6681686280760991
Energy: 0.409884704961248
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Energy: 0.5210513673003481
Energy: 0.6321627273902377
Energy: 0.6681686280776775
Energy: 0.3670726990749961
Energy: 0.6013709009080133
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Energy: 0.367072699073756
Energy: 0.618363328259023
Energy: 0.5876748594390439
Energy: 0.36707269907409423
Energy: 0.6013709009083514
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Energy: 0.5880462242952431
Energy: 0.470732881317178
Energy: 0.35132952398884193
Energy: 0.5880462286811934
Energy: 0.41533105686559607
Energy: 0.3513295239903638
Energy: 0.5880462290768775
Energy: 0.470732881317178
Energy: 0.351329523990702
Energy: 0.5880462228983427
Energy: 0.43240728543042517
Energy: 0.6518057322970059
Energy: 0.3600007575240558
Energy: 0.4532799768901611
Energy: 0.6154425070356591
Energy: 0.36000075752315397
Energy: 0.43240728543256707
Energy: 0.651805732297626
Energy: 0.36000075752315397
Energy: 0.45327997688925925
Energy: 0.5121316640578805
Energy: 0.4725615316768193
Energy: 0.3514080201119254
Energy: 0.4152535954789919
Energy: 0.372200741198097
Energy: 0.35140802011316546
Energy: 0.5121316640603606
Energy: 0.4725615316780593
Energy: 0.3514080201125454
Energy: 0.4152535954808519
Energy: 0.6704407212925679
Energy: 0.5855001774697814
Energy: 0.3547194724683829
Energy: 0.6704407212925679
Energy: 0.5855001774682597
Energy: 0.354719472467481
Energy: 0.670440721295668
Energy: 0.5855001774691616
Energy: 0.35471947246900287
Energy: 0.6704407212960062

minimum gb energy = 0.3513295239882219 eV
minimum distance =  2.33015685460836 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.6628344787474387
Energy: 0.6476441856079638
Energy: 0.6467355141122885
Energy: 0.6452415462089769
Energy: 0.6476441856079638
Energy: 0.6467355141122885
Energy: 0.662834478745737
Energy: 0.6476441856062619
Energy: 0.6467355141122885
Energy: 0.6452415462089769
Energy: 0.6662247190511018
Energy: 0.6680691480464025
Energy: 0.6407116664055348
Energy: 0.6662247190494001
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Energy: 0.6680691480481044
Energy: 0.6407116664055348
Energy: 0.6662247190511018
Energy: 0.5408966721483952
Energy: 0.6677931008423332
Energy: 0.6717864478623821
Energy: 0.5408966721466933
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Energy: 0.5467814113720286
Energy: 0.6677931008406313
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Energy: 0.6653362288992527
Energy: 0.6534256606828107
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Energy: 0.6653362288975508
Energy: 0.6534256606828107
Energy: 0.7688027158757297
Energy: 0.6521056858809676
Energy: 0.6398376736422992
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Energy: 0.66473518659723
Energy: 0.64666145965662
Energy: 0.6709646238538622
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Energy: 0.6466614596549183
Energy: 0.6708865535096807
Energy: 0.6647351865955282
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Energy: 0.670964623857266
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Energy: 0.6661252684714333
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Energy: 0.7541934152231039
Energy: 0.6661252684731351
Energy: 0.6825181458501519
Energy: 0.7400726286796415
Energy: 0.6661252684731351
Energy: 0.6854803757586669
Energy: 0.7541934152452281
Energy: 0.6661252684714333
Energy: 0.6676810629027133
Energy: 0.695035776382317
Energy: 0.6641045519212069
Energy: 0.6676810629010115
Energy: 0.6952592245366103
Energy: 0.654753127617303
Energy: 0.6676810629027133
Energy: 0.6950357763840188
Energy: 0.6641045519246105
Energy: 0.6676810629044152
Energy: 0.6660301022998152
Energy: 0.7066495365773645
Energy: 0.6899900532270626
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Energy: 0.7004140138009396
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Energy: 0.6615033880965339
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Energy: 0.6459957341956568
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Energy: 0.6909765147030775
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Energy: 0.6909765147030775
Energy: 0.6459957341973587
Energy: 0.6618528021609308
Energy: 0.6909765147013757
Energy: 0.6459957341956568
Energy: 0.6614784983859044
Energy: 0.6497840676021159
Energy: 0.6668140269827507
Energy: 0.6614784983859044
Energy: 0.6497840676021159
Energy: 0.6668140269844526
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Energy: 0.6497840676004141
Energy: 0.6668140269844526
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Energy: 0.6620869690794072
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Energy: 0.6902963713454886
Energy: 0.6620869690794072
Energy: 0.6373593148535138
Energy: 0.6902963713471905
Energy: 0.6620869690794072

minimum gb energy = 0.5408966721466933 eV
minimum distance =  2.33457666957241 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.0398621407836144
Energy: 0.9323892993455272
Energy: 0.9320415102428008
Energy: 1.0398621407836144
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Energy: 1.0392870408023227
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Energy: 0.9892080943241849
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Energy: 1.0535898155731391
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Energy: 1.0392870408023227
Energy: 0.9339235496877357
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Energy: 0.9333038861000815
Energy: 0.9427769791919715
Energy: 1.0491029067458333
Energy: 0.9333038861000815
Energy: 1.0335618240042916
Energy: 0.9652708372014819
Energy: 1.0402720256200604
Energy: 1.0335618240009126
Energy: 0.9652708372003554
Energy: 1.0402720256200604
Energy: 1.0335618240009126
Energy: 0.9652708372014819
Energy: 1.0402720256200604
Energy: 1.0335618239997864
Energy: 1.0373448915639047
Energy: 0.991351085820733
Energy: 0.9333071563865847
Energy: 1.0373448915639047
Energy: 0.991351085820733
Energy: 0.9333071563854585
Energy: 1.0373448915639047
Energy: 0.991351085820733
Energy: 0.9333071563854585
Energy: 1.0373448915639047
Energy: 0.9389321384903702
Energy: 0.9377848955091561
Energy: 0.9450923253272778
Energy: 0.9389321384903702
Energy: 0.9377848955091561
Energy: 0.9450923253272778
Energy: 0.9389321384903702
Energy: 0.9377848955091561
Energy: 0.9450923253272778
Energy: 0.9389321384903702

minimum gb energy = 0.931637128778334 eV
minimum distance =  2.28383498362182 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.2155111247424533
Energy: 1.1274127670850718
Energy: 1.136045816780035
Energy: 1.2274632169833355
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Energy: 1.085330092798758
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Energy: 1.1267224459414245
Energy: 1.0878332301466354
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Energy: 1.0878332301486748
Energy: 1.1067735214092569
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Energy: 1.105812807116057
Energy: 1.107377402492713
Energy: 1.1942049232529999
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Energy: 1.1071281490846332
Energy: 1.194204923255115
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Energy: 1.1942049232571543
Energy: 1.1058128071180964
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Energy: 1.0495946137587555
Energy: 1.0823502971833128
Energy: 1.168487751856217
Energy: 1.0495946137567163
Energy: 1.0823502971812733
Energy: 1.168487751852062
Energy: 1.0495946137567163
Energy: 1.0823502971771188
Energy: 1.1684877518500227
Energy: 1.1332722613907245
Energy: 1.0509659571788732
Energy: 1.076063662814805
Energy: 1.1332722613907245
Energy: 1.0509659571747183
Energy: 1.0761082416043555
Energy: 1.1332722613865698
Energy: 1.0509659571768335
Energy: 1.0760636628189595
Energy: 1.1332722613865698
Energy: 1.1032665512432953
Energy: 1.1277737445276514
Energy: 1.1586513572394415
Energy: 1.1032665512453348
Energy: 1.1277737445234968
Energy: 1.1586513572415567
Energy: 1.1032665512453348
Energy: 1.1277737445193425
Energy: 1.1586513572415567
Energy: 1.1032665512432953
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minimum gb energy = 1.0394355512470586 eV
minimum distance =  2.29013343201163 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.1042072347085377
Energy: 1.1899640651440597
Energy: 1.1348899567025286
Energy: 1.1042072347087688
Energy: 1.1899640651437824
Energy: 1.1348899567025286
Energy: 1.1042072347087688
Energy: 1.1899640651437824
Energy: 1.1348899567022512
Energy: 1.1042072347085377
Energy: 1.1244975022316261
Energy: 0.9129274087882527
Energy: 1.2021118244458764
Energy: 1.1244975022316261
Energy: 0.9129274087884839
Energy: 1.202111824446108
Energy: 1.1244975022316261
Energy: 0.9129274087882527
Energy: 1.202111824445599
Energy: 1.1244975022316261
Energy: 1.2918716880422787
Energy: 1.1661094146810171
Energy: 1.1037950249968436
Energy: 1.2918716880422787
Energy: 1.1661094146810171
Energy: 1.1037950249968436
Energy: 1.2918716880420476
Energy: 1.1661094146812485
Energy: 1.1037950249971211
Energy: 1.2918716880420476
Energy: 1.0054253924249232
Energy: 1.1858399163519724
Energy: 1.0942612559282305
Energy: 1.0054253924252008
Energy: 1.1858399163522035
Energy: 1.0942612559282305
Energy: 1.0054253924252008
Energy: 1.1858399163519724
Energy: 1.0942612559282305
Energy: 1.005425392425432
Energy: 1.1474139431717219
Energy: 1.0083960445828724
Energy: 1.0948045177787744
Energy: 1.1474139431717219
Energy: 1.00839604458315
Energy: 1.0948045177777568
Energy: 1.1474139431719532
Energy: 1.0083960445828724
Energy: 1.0948045177782657
Energy: 1.1474139431717219
Energy: 1.0482801426453277
Energy: 1.1903791145341907
Energy: 1.1047624066462787
Energy: 1.0482801426443102
Energy: 1.190379114534468
Energy: 1.1047624066462787
Energy: 1.048280142643015
Energy: 1.190379114534468
Energy: 1.1047624066462787
Energy: 1.0482801426425061
Energy: 1.127182336345971
Energy: 1.1144801084328637
Energy: 1.1145526871981006
Energy: 1.127182336345971
Energy: 1.1144801084328637
Energy: 1.1145526871981006
Energy: 1.127182336345971
Energy: 1.1144801084330949
Energy: 1.1145526871981006
Energy: 1.1271823363457396
Energy: 1.04798092842363
Energy: 1.1052065330124867
Energy: 1.190163767300506
Energy: 1.04798092842363
Energy: 1.1052065330122551
Energy: 1.1901637673007839
Energy: 1.0479809284226125
Energy: 1.1052065330122551
Energy: 1.190163767300506
Energy: 1.047980928423399
Energy: 1.1473489218973867
Energy: 1.0946955414383477
Energy: 1.0081750638782416
Energy: 1.1473489218976642
Energy: 1.0946955414383477
Energy: 1.0081750638782416
Energy: 1.1473489218976642
Energy: 1.0946955414383477
Energy: 1.0081750638779645
Energy: 1.1473489218978956
Energy: 1.00511077785021
Energy: 1.0942191727248367
Energy: 1.1859759649580908
Energy: 1.00511077785021
Energy: 1.0942191727248367
Energy: 1.1859759649586
Energy: 1.00511077785021
Energy: 1.0942191727245592
Energy: 1.1859759649588772
Energy: 1.00511077785021
Energy: 1.291957771084026
Energy: 1.103754480607873
Energy: 1.165576474188678
Energy: 1.2919577710842574
Energy: 1.103754480607873
Energy: 1.165576474188169
Energy: 1.2919577710837484
Energy: 1.103754480607873
Energy: 1.1655764741884003
Energy: 1.291957771084026
Energy: 1.1242886801739373
Energy: 1.2024551423544119
Energy: 0.9133334725930946
Energy: 1.1242886801739373
Energy: 1.2024551423544119
Energy: 0.913333472593372
Energy: 1.1242886801736598
Energy: 1.2024551423539032
Energy: 0.9133334725936033
Energy: 1.1242886801736598
Energy: 1.1041688518076185
Energy: 1.1355450502306494
Energy: 1.1896799641620164
Energy: 1.1041688518076185
Energy: 1.1355450502303723
Energy: 1.1896799641615075
Energy: 1.104168851807341
Energy: 1.1355450502306494
Energy: 1.1896799641612763
Energy: 1.1041688518081272
Energy: 0.9621855351029903
Energy: 0.9121059410766449
Energy: 0.912335268987319
Energy: 0.9621855351047943
Energy: 0.9121059410758586
Energy: 0.9123352689875501
Energy: 0.9621855351034992
Energy: 0.9121059410743323
Energy: 0.9123352689855149
Energy: 0.9621855351034992
Energy: 1.1042072347085377
Energy: 1.1899640651437824
Energy: 1.1348899567022512
Energy: 1.10420723470826
Energy: 1.1899640651440597
Energy: 1.1348899567020199
Energy: 1.1042072347087688
Energy: 1.1899640651440597
Energy: 1.1348899567020199
Energy: 1.1042072347085377
Energy: 1.1244975022316261
Energy: 0.9129274087882527
Energy: 1.202111824445599
Energy: 1.1244975022316261
Energy: 0.9129274087884839
Energy: 1.2021118244458764
Energy: 1.1244975022313484
Energy: 0.9129274087884839
Energy: 1.202111824445599
Energy: 1.1244975022316261
Energy: 1.2918716880422787
Energy: 1.1661094146812485
Energy: 1.1037950249971211
Energy: 1.2918716880422787
Energy: 1.1661094146812485
Energy: 1.1037950249971211
Energy: 1.2918716880422787
Energy: 1.1661094146810171
Energy: 1.1037950249971211
Energy: 1.2918716880422787
Energy: 1.0054253924249232
Energy: 1.1858399163522035
Energy: 1.0942612559279994
Energy: 1.0054253924249232
Energy: 1.1858399163519724
Energy: 1.094261255928508
Energy: 1.0054253924249232
Energy: 1.185839916352481
Energy: 1.094261255928508
Energy: 1.0054253924252008

minimum gb energy = 0.9121059410542569 eV
minimum distance =  2.20815358338761 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.1740134390833445
Energy: 1.1887376618059002
Energy: 1.1891085597913353
Energy: 1.1740134390833445
Energy: 1.1887376618049807
Energy: 1.1891085597904159
Energy: 1.1740134390842645
Energy: 1.1887376618059002
Energy: 1.1891085597908757
Energy: 1.174013439084724
Energy: 1.1875259751604306
Energy: 1.1834854282417135
Energy: 1.1887177421644155
Energy: 1.1875259751599712
Energy: 1.1834854282118674
Energy: 1.1887177421644155
Energy: 1.1875259751599712
Energy: 1.1834854281939344
Energy: 1.1887177421648754
Energy: 1.1875259751595113
Energy: 1.186945599531017
Energy: 1.1867910343909918
Energy: 1.1175510765743868
Energy: 1.1869455995305571
Energy: 1.1867910343909918
Energy: 1.117549146134123
Energy: 1.186945599531017
Energy: 1.1867910343909918
Energy: 1.1175471045684908
Energy: 1.186945599531017
Energy: 1.1142768556852722
Energy: 1.187149971446141
Energy: 1.187103115369094
Energy: 1.1142841139056077
Energy: 1.1871499714466007
Energy: 1.187103115369094
Energy: 1.1142788998477031
Energy: 1.187149971446141
Energy: 1.1871031153686342
Energy: 1.1142832468181965
Energy: 1.1887450379892166
Energy: 1.1835420452482524
Energy: 1.1871642640321067
Energy: 1.1887450379892166
Energy: 1.1835420452436543
Energy: 1.187164264031647
Energy: 1.1887450379892166
Energy: 1.1835420452468728
Energy: 1.1871642640321067
Energy: 1.1887450379896765
Energy: 1.1887376618054402
Energy: 1.1891085597908757
Energy: 1.1740134390861037
Energy: 1.1887376618054402
Energy: 1.1891085597913353
Energy: 1.174013439085184
Energy: 1.1887376618049807
Energy: 1.1891085597913353
Energy: 1.1740134390838044
Energy: 1.1887376618059002
Energy: 1.1834854282187228
Energy: 1.1887177421648754
Energy: 1.1875259751604306
Energy: 1.1834854282086487
Energy: 1.1887177421648754
Energy: 1.1875259751608904
Energy: 1.183485428237575
Energy: 1.1887177421644155
Energy: 1.1875259751608904
Energy: 1.1834854281603677
Energy: 1.1867910343914518
Energy: 1.117553567097332
Energy: 1.1869455995314768
Energy: 1.1867910343905321
Energy: 1.1175679082754402
Energy: 1.186945599531017
Energy: 1.1867910343909918
Energy: 1.1175589913934474
Energy: 1.1869455995314768
Energy: 1.1867910343909918
Energy: 1.1871499714466007
Energy: 1.1871031153681741
Energy: 1.1142751654729812
Energy: 1.187149971446141
Energy: 1.1871031153677145
Energy: 1.1142752211224871
Energy: 1.187149971446141
Energy: 1.1871031153686342
Energy: 1.1142762595786007
Energy: 1.1871499714466007
Energy: 1.1835420452473329
Energy: 1.1871642640321067
Energy: 1.1887450379896765
Energy: 1.1835420452464132
Energy: 1.1871642640325668
Energy: 1.1887450379887567
Energy: 1.1835420452441139
Energy: 1.1871642640325668
Energy: 1.1887450379896765
Energy: 1.1835420452441139
Energy: 1.1891085597913353
Energy: 1.174013439082885
Energy: 1.1887376618059002
Energy: 1.1891085597908757
Energy: 1.1740134390842645
Energy: 1.1887376618054402
Energy: 1.1891085597913353
Energy: 1.1740134390856436
Energy: 1.1887376618054402
Energy: 1.1891085597917954
Energy: 1.1887177421653352
Energy: 1.1875259751599712
Energy: 1.1834854282297584
Energy: 1.1887177421662551
Energy: 1.1875259751595113
Energy: 1.1834854281948541
Energy: 1.1887177421653352
Energy: 1.1875259751595113
Energy: 1.183485428172323
Energy: 1.1887177421648754
Energy: 1.1175564522309986
Energy: 1.186945599531017
Energy: 1.1867910343909918
Energy: 1.1175504777969274
Energy: 1.1869455995305571
Energy: 1.1867910343909918
Energy: 1.1175565646161416
Energy: 1.1869455995314768
Energy: 1.1867910343914518
Energy: 1.1175564132520954
Energy: 1.1871031153681741
Energy: 1.1142822090340856
Energy: 1.187149971446141
Energy: 1.1871031153686342
Energy: 1.1142802268128025
Energy: 1.187149971446141
Energy: 1.1871031153686342
Energy: 1.1142809246360545
Energy: 1.1871499714466007
Energy: 1.187103115369094
Energy: 1.1871642640321067
Energy: 1.1887450379892166
Energy: 1.1835420452459535
Energy: 1.1871642640325668
Energy: 1.1887450379892166
Energy: 1.1835420452487122
Energy: 1.1871642640325668
Energy: 1.1887450379887567
Energy: 1.1835420452459535
Energy: 1.1871642640321067
Energy: 1.174013439082885
Energy: 1.1887376618054402
Energy: 1.1891085597913353
Energy: 1.174013439082885
Energy: 1.1887376618049807
Energy: 1.1891085597908757
Energy: 1.1740134390833445
Energy: 1.1887376618054402
Energy: 1.1891085597913353
Energy: 1.1740134390833445
Energy: 1.1875259751590512
Energy: 1.1834854282095681
Energy: 1.1887177421639559
Energy: 1.1875259751595113
Energy: 1.183485428223321
Energy: 1.1887177421648754
Energy: 1.1875259751595113
Energy: 1.1834854282201022
Energy: 1.1887177421653352
Energy: 1.1875259751599712
Energy: 1.1869455995305571
Energy: 1.1867910343914518
Energy: 1.1175483895841818
Energy: 1.186945599531017
Energy: 1.1867910343909918
Energy: 1.1175538801698985
Energy: 1.1869455995314768
Energy: 1.1867910343909918
Energy: 1.1175538013406958
Energy: 1.186945599531017
Energy: 1.1142748167757555
Energy: 1.1871499714466007
Energy: 1.1871031153681741
Energy: 1.1142860041527156
Energy: 1.187149971446141
Energy: 1.1871031153686342
Energy: 1.1142688669116603
Energy: 1.1871499714466007
Energy: 1.1871031153695537
Energy: 1.1142782378141012
Energy: 1.1887450379896765
Energy: 1.1835420452477927
Energy: 1.1871642640321067
Energy: 1.1887450379896765
Energy: 1.1835420452468728
Energy: 1.1871642640321067
Energy: 1.1887450379896765
Energy: 1.1835420452450336
Energy: 1.1871642640321067
Energy: 1.1887450379896765
Energy: 1.1887376618049807
Energy: 1.1891085597913353
Energy: 1.1740134390842645
Energy: 1.1887376618054402
Energy: 1.1891085597908757
Energy: 1.1740134390833445
Energy: 1.1887376618054402
Energy: 1.1891085597913353
Energy: 1.1740134390833445
Energy: 1.1887376618049807
Energy: 1.1834854281985325
Energy: 1.188717742165795
Energy: 1.1875259751599712
Energy: 1.1834854282100282
Energy: 1.1887177421644155
Energy: 1.1875259751595113
Energy: 1.183485428237575
Energy: 1.1887177421644155
Energy: 1.1875259751604306
Energy: 1.1834854282191825

minimum gb energy = 1.1142688669116603 eV
minimum distance =  2.26992473618456 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.1121360257879598
Energy: 1.1230234492132765
Energy: 1.1222806046319331
Energy: 1.1121360257879598
Energy: 1.1230234492132765
Energy: 1.1222806046340177
Energy: 1.1121360257879598
Energy: 1.123023449215361
Energy: 1.1222806046340177
Energy: 1.1121360257879598
Energy: 1.1212439156100917
Energy: 1.0715240647699795
Energy: 1.0661856568948236
Energy: 1.1212439156100917
Energy: 1.0715240647699795
Energy: 1.0661856568948236
Energy: 1.1212439156080074
Energy: 1.0715240647699795
Energy: 1.0661856568948236
Energy: 1.1212439156100917
Energy: 1.1628359389363032
Energy: 1.09732412073694
Energy: 1.0460981116348682
Energy: 1.1628359389363032
Energy: 1.09732412073694
Energy: 1.0460981116369528
Energy: 1.1628359389363032
Energy: 1.09732412073694
Energy: 1.0460981116369528
Energy: 1.1628359389363032
Energy: 1.070998053618693
Energy: 1.0970647078390596
Energy: 1.0728331366411792
Energy: 1.070998053618693
Energy: 1.0970647078390596
Energy: 1.0728331366411792
Energy: 1.070998053618693
Energy: 1.0970647078390596
Energy: 1.0728331366411792
Energy: 1.070998053618693
Energy: 1.1417708674141451
Energy: 1.0731864912822042
Energy: 1.1581435527842636
Energy: 1.1417708674141451
Energy: 1.0731864912822042
Energy: 1.1581435527842636
Energy: 1.1417708674141451
Energy: 1.0731864912822042
Energy: 1.1581435527842636
Energy: 1.1417708674141451
Energy: 1.1128613755278547
Energy: 1.0993450418389952
Energy: 1.0616116679795498
Energy: 1.1128613755278547
Energy: 1.099345041836911
Energy: 1.0616116679795498
Energy: 1.1128613755278547
Energy: 1.0993450418389952
Energy: 1.0616116679795498
Energy: 1.1128613755278547
Energy: 1.073252829433324
Energy: 1.1784162505694218
Energy: 1.1213395158276511
Energy: 1.073252829433324
Energy: 1.1784162505694218
Energy: 1.1213395158276511
Energy: 1.073252829433324
Energy: 1.1784162505694218
Energy: 1.1213395158276511
Energy: 1.073252829433324
Energy: 1.083440007978397
Energy: 1.1548679888966866
Energy: 1.1548626872561587
Energy: 1.083440007978397
Energy: 1.154867988898771
Energy: 1.1548626872561587
Energy: 1.083440007978397
Energy: 1.1548679888966866
Energy: 1.1548626872540746
Energy: 1.083440007978397
Energy: 1.2901529665449083
Energy: 1.086284086882241
Energy: 1.086216838016022
Energy: 1.2901529665469924
Energy: 1.086284086882241
Energy: 1.086216838016022
Energy: 1.2901529665449083
Energy: 1.086284086882241
Energy: 1.086216838016022
Energy: 1.2901529665449083
Energy: 1.072062930153087
Energy: 1.1224840238245906
Energy: 1.0978734207569885
Energy: 1.072062930153087
Energy: 1.1224840238266751
Energy: 1.0978734207590728
Energy: 1.072062930153087
Energy: 1.1224840238287594
Energy: 1.0978734207590728
Energy: 1.072062930153087
Energy: 1.0960205820339957
Energy: 1.0630947271719104
Energy: 1.1347548945844237
Energy: 1.0960205820339957
Energy: 1.0630947271719104
Energy: 1.1347548945844237
Energy: 1.0960205820339957
Energy: 1.0630947271719104
Energy: 1.1347548945823391
Energy: 1.09602058203608
Energy: 1.0669132651592008
Energy: 1.0598401307165009
Energy: 1.0819683894899983
Energy: 1.0669132651571165
Energy: 1.0598401307165009
Energy: 1.0819683894899983
Energy: 1.0669132651592008
Energy: 1.0598401307165009
Energy: 1.0819683894899983
Energy: 1.0669132651592008
Energy: 1.184092540617376
Energy: 1.0842037000693001
Energy: 1.1709439827603394
Energy: 1.184092540617376
Energy: 1.0842037000693001
Energy: 1.1709439827603394
Energy: 1.184092540617376
Energy: 1.0842037000693001
Energy: 1.1709439827603394
Energy: 1.184092540617376
Energy: 1.065263844585328
Energy: 1.0674003631032514
Energy: 1.1838821007102647
Energy: 1.065263844585328
Energy: 1.0674003631032514
Energy: 1.183882100712349
Energy: 1.0652638445874125
Energy: 1.0674003631032514
Energy: 1.1838821007102647
Energy: 1.065263844585328
Energy: 1.1489141966729726
Energy: 1.1542342777731445
Energy: 1.0789850488761341
Energy: 1.1489141966729726
Energy: 1.1542342777731445
Energy: 1.07898504887405
Energy: 1.1489141966729726
Energy: 1.1542342777731445
Energy: 1.07898504887405
Energy: 1.1489141966729726
Energy: 1.0719730695096112
Energy: 1.1654833704943541
Energy: 1.1006970246647556
Energy: 1.0719730695096112
Energy: 1.1654833704943541
Energy: 1.1006970246647556
Energy: 1.0719730695096112
Energy: 1.1654833704943541
Energy: 1.1006970246647556
Energy: 1.0719730695096112
Energy: 1.1096429015171991
Energy: 1.078037458188317
Energy: 1.2205559152722834
Energy: 1.1096429015171991
Energy: 1.078037458188317
Energy: 1.2205559152722834
Energy: 1.1096429015171991
Energy: 1.0780374581904013
Energy: 1.2205559152722834
Energy: 1.1096429015171991
Energy: 1.2251002126811572
Energy: 1.0724124578392935
Energy: 1.067284028798499
Energy: 1.2251002126811572
Energy: 1.0724124578392935
Energy: 1.067284028798499
Energy: 1.2251002126811572
Energy: 1.0724124578392935
Energy: 1.067284028798499
Energy: 1.2251002126811572
Energy: 1.0728586341232476
Energy: 1.1813036686624285
Energy: 1.0905722898217223
Energy: 1.0728586341232476
Energy: 1.1813036686624285
Energy: 1.0905722898217223
Energy: 1.0728586341232476
Energy: 1.1813036686624285
Energy: 1.0905722898217223
Energy: 1.0728586341232476
Energy: 1.116703238847187
Energy: 1.078335991494913
Energy: 1.1247222997914619
Energy: 1.1167032388492713
Energy: 1.078335991494913
Energy: 1.1247222997914619
Energy: 1.1167032388492713
Energy: 1.078335991494913
Energy: 1.1247222997914619
Energy: 1.1167032388492713
Energy: 1.1202522331176492
Energy: 1.0714992610043852
Energy: 1.209160021060718
Energy: 1.1202522331176492
Energy: 1.0714992610043852
Energy: 1.209160021060718
Energy: 1.1202522331176492
Energy: 1.0714992610043852
Energy: 1.209160021060718
Energy: 1.1202522331155649
Energy: 1.091222279859496
Energy: 1.2163963675243985
Energy: 1.061653824795218
Energy: 1.091222279859496
Energy: 1.2163963675243985
Energy: 1.061653824795218
Energy: 1.091222279859496
Energy: 1.2163963675243985
Energy: 1.061653824795218
Energy: 1.091222279859496
Energy: 1.0726380964280062
Energy: 1.0656734332082884
Energy: 1.0932987195857806
Energy: 1.0726380964280062
Energy: 1.0656734332082884
Energy: 1.0932987195857806
Energy: 1.0726380964280062
Energy: 1.0656734332082884
Energy: 1.0932987195836965
Energy: 1.0726380964280062
Energy: 1.0759036611220871
Energy: 1.1117067536971879
Energy: 1.0632042686261873
Energy: 1.0759036611220871
Energy: 1.1117067536971879
Energy: 1.0632042686261873
Energy: 1.0759036611220871
Energy: 1.1117067536971879
Energy: 1.0632042686261873
Energy: 1.0759036611220871
Energy: 1.1491958275235559
Energy: 1.0722084553523594
Energy: 1.0835349481327226
Energy: 1.1491958275235559
Energy: 1.0722084553523594
Energy: 1.0835349481327226
Energy: 1.1491958275235559
Energy: 1.0722084553523594
Energy: 1.0835349481327226
Energy: 1.1491958275235559
Energy: 1.0720491147278979
Energy: 1.1047380507310705
Energy: 1.1194126603362182
Energy: 1.0720491147278979
Energy: 1.1047380507310705
Energy: 1.1194126603362182
Energy: 1.0720491147278979
Energy: 1.1047380507310705
Energy: 1.1194126603362182
Energy: 1.0720491147278979
Energy: 1.1479047175596164
Energy: 1.059789648550845
Energy: 1.137875919960691
Energy: 1.1479047175617008
Energy: 1.059789648550845
Energy: 1.137875919960691
Energy: 1.1479047175596164
Energy: 1.059789648550845
Energy: 1.1378759199586066
Energy: 1.1479047175617008
Energy: 1.1780092081612172
Energy: 1.1708008633768296
Energy: 1.0905019779150074
Energy: 1.1780092081612172
Energy: 1.1708008633768296
Energy: 1.0905019779150074
Energy: 1.1780092081612172
Energy: 1.170800863378914
Energy: 1.0905019779150074
Energy: 1.1780092081612172
Energy: 1.1713195584271128
Energy: 1.0596675560512976
Energy: 1.1209415368286968
Energy: 1.1713195584271128
Energy: 1.0596675560512976
Energy: 1.1209415368286968
Energy: 1.1713195584271128
Energy: 1.0596675560512976
Energy: 1.1209415368286968
Energy: 1.1713195584271128
Energy: 1.085595552241088
Energy: 1.0661662772767253
Energy: 1.1928909753420676
Energy: 1.085595552241088
Energy: 1.0661662772767253
Energy: 1.1928909753420676
Energy: 1.085595552241088
Energy: 1.0661662772767253
Energy: 1.1928909753420676
Energy: 1.085595552241088
Energy: 1.1713472229168238
Energy: 1.0914697641339117
Energy: 1.0826969512963003
Energy: 1.1713472229168238
Energy: 1.0914697641318272
Energy: 1.0826969512963003
Energy: 1.1713472229168238
Energy: 1.0914697641318272
Energy: 1.0826969512963003
Energy: 1.1713472229168238
Energy: 1.06053363174435
Energy: 1.170705012138362
Energy: 1.083119949389041
Energy: 1.06053363174435
Energy: 1.170705012138362
Energy: 1.0831199493911257
Energy: 1.06053363174435
Energy: 1.170705012138362
Energy: 1.0831199493911257
Energy: 1.060533631740181
Energy: 1.1068866490350138
Energy: 1.2065847236369747
Energy: 1.1473306883577021
Energy: 1.1068866490350138
Energy: 1.2065847236390592
Energy: 1.1473306883577021
Energy: 1.1068866490329294
Energy: 1.2065847236390592
Energy: 1.1473306883577021
Energy: 1.1068866490350138
Energy: 1.1069233045083404
Energy: 1.1244477253049974
Energy: 1.0939577417898636
Energy: 1.1069233045083404
Energy: 1.1244477253049974
Energy: 1.0939577417898636
Energy: 1.1069233045083404
Energy: 1.1244477253049974
Energy: 1.0939577417898636
Energy: 1.1069233045083404
Energy: 1.0688688321838986
Energy: 1.2374319072232518
Energy: 1.1554600660238181
Energy: 1.0688688321838986
Energy: 1.2374319072232518
Energy: 1.1554600660238181
Energy: 1.0688688321838986
Energy: 1.2374319072274202
Energy: 1.1554600660217338
Energy: 1.0688688321838986
Energy: 1.125070007928725
Energy: 1.0841318171894987
Energy: 1.0896780446421463
Energy: 1.1250700079308094
Energy: 1.0841318171894987
Energy: 1.0896780446421463
Energy: 1.1250700079308094
Energy: 1.0841318171894987
Energy: 1.0896780446421463
Energy: 1.125070007928725
Energy: 1.1119635874826286
Energy: 1.2112004666499518
Energy: 1.06586022838848
Energy: 1.1119635874826286
Energy: 1.2112004666499518
Energy: 1.06586022838848
Energy: 1.1119635874826286
Energy: 1.2112004666499518
Energy: 1.06586022838848
Energy: 1.1119635874826286
Energy: 1.1268821306765688
Energy: 1.1449527723321449
Energy: 1.0597916796002882
Energy: 1.1268821306765688
Energy: 1.1449527723321449
Energy: 1.0597916796002882
Energy: 1.1268821306765688
Energy: 1.1449527723321449
Energy: 1.0597916796002882
Energy: 1.1268821306765688
Energy: 1.0865584039436633
Energy: 1.0893306916667178
Energy: 1.1714526875173963
Energy: 1.0865584039436633
Energy: 1.0893306916667178
Energy: 1.1714526875173963
Energy: 1.0865584039436633
Energy: 1.0893306916667178
Energy: 1.1714526875173963
Energy: 1.0865584039457477
Energy: 1.142125145152761
Energy: 1.098085971827988
Energy: 1.0605725433723336
Energy: 1.1421251451548455
Energy: 1.0980859718300724
Energy: 1.0605725433723336
Energy: 1.1421251451548455
Energy: 1.0980859718300724
Energy: 1.0605725433723336
Energy: 1.1421251451548455
Energy: 1.0714238905258928
Energy: 1.1854461529702327
Energy: 1.0972550635937304
Energy: 1.0714238905258928
Energy: 1.1854461529702327
Energy: 1.0972550635937304
Energy: 1.0714238905279772
Energy: 1.1854461529702327
Energy: 1.0972550635937304
Energy: 1.0714238905258928
Energy: 1.101293745788273
Energy: 1.1083355124693626
Energy: 1.118534619875402
Energy: 1.101293745788273
Energy: 1.1083355124693626
Energy: 1.1185346198774861
Energy: 1.101293745788273
Energy: 1.1083355124693626
Energy: 1.118534619875402
Energy: 1.101293745788273
Energy: 1.256209394997913
Energy: 1.0633937037021317
Energy: 1.089438375818372
Energy: 1.256209394997913
Energy: 1.0633937037021317
Energy: 1.089438375818372
Energy: 1.256209394997913
Energy: 1.063393703704216
Energy: 1.089438375818372
Energy: 1.256209394997913
Energy: 1.0669881938183106
Energy: 1.293727770867449
Energy: 1.066643817024407
Energy: 1.0669881938162262
Energy: 1.293727770867449
Energy: 1.066643817024407
Energy: 1.0669881938183106
Energy: 1.293727770867449
Energy: 1.066643817024407
Energy: 1.0669881938183106
Energy: 1.1087714388657375
Energy: 1.0594287620983176
Energy: 1.2165472519207547
Energy: 1.1087714388657375
Energy: 1.0594287620983176
Energy: 1.2165472519228389
Energy: 1.1087714388657375
Energy: 1.059428762096233
Energy: 1.2165472519228389
Energy: 1.1087714388657375
Energy: 1.1107388499029527
Energy: 1.0715164736995788
Energy: 1.1011110043086834
Energy: 1.110738849905037
Energy: 1.0715164736995788
Energy: 1.1011110043086834
Energy: 1.1107388499029527
Energy: 1.0715164736995788
Energy: 1.1011110043086834
Energy: 1.1107388499029527
Energy: 1.113544990429212
Energy: 1.1146858100378074
Energy: 1.0788263715645527
Energy: 1.113544990429212
Energy: 1.1146858100378074
Energy: 1.0788263715624684
Energy: 1.113544990429212
Energy: 1.1146858100378074
Energy: 1.0788263715645527
Energy: 1.113544990429212
Energy: 1.0645351956596634
Energy: 1.0759037689733384
Energy: 1.163423806629459
Energy: 1.0645351956596634
Energy: 1.0759037689733384
Energy: 1.1634238066211218
Energy: 1.0645351956596634
Energy: 1.0759037689733384
Energy: 1.1634238066065314
Energy: 1.0645351956596634
Energy: 1.1067184026819465
Energy: 1.092302757707354
Energy: 1.0438540079287018
Energy: 1.1067184026819465
Energy: 1.092302757707354
Energy: 1.0438540079266176
Energy: 1.1067184026819465
Energy: 1.092302757707354
Energy: 1.0438540079266176
Energy: 1.1067184026819465

minimum gb energy = 1.0438540079266176 eV
minimum distance =  2.25528250675421 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.9965936276551688
Energy: 1.0657974422750978
Energy: 1.0665347799203413
Energy: 0.9965936276551688
Energy: 1.0657974422750978
Energy: 1.066534779919582
Energy: 0.9965936276551688
Energy: 1.0657974422743384
Energy: 1.0665347799203413
Energy: 0.9965936276551688
Energy: 1.1108923453766653
Energy: 0.9760672864128564
Energy: 0.9882720899736223
Energy: 1.1108923453766653
Energy: 0.9760672864128564
Energy: 0.9882720899736223
Energy: 1.1108923453766653
Energy: 0.9760672864120971
Energy: 0.9882720899736223
Energy: 1.1108923453766653
Energy: 1.042481728161216
Energy: 0.9669447999765836
Energy: 1.114329460522673
Energy: 1.042481728161216
Energy: 0.9669447999765836
Energy: 1.1143294605234324
Energy: 1.042481728161216
Energy: 0.9669447999765836
Energy: 1.114329460522673
Energy: 1.0424817281619756
Energy: 1.08753011285508
Energy: 1.0423815161612096
Energy: 0.977907385875998
Energy: 1.0875301128543207
Energy: 1.0423815161612096
Energy: 0.977907385875998
Energy: 1.0875301128543207
Energy: 1.0423815161619687
Energy: 0.9779073858767574
Energy: 1.08753011285508
Energy: 1.0192999595458772
Energy: 0.9987884222164926
Energy: 1.1409053540633831
Energy: 1.0192999593545866
Energy: 0.9987884222164926
Energy: 1.1409053540633831
Energy: 1.0192999592043015
Energy: 0.9987884222164926
Energy: 1.1409053540633831
Energy: 1.0192999595306897
Energy: 0.985219068303118
Energy: 1.1209775972170486
Energy: 0.976402166082898
Energy: 0.985219068303118
Energy: 1.1209775972170486
Energy: 0.976402166082898
Energy: 0.985219068303118
Energy: 1.1209775972178078
Energy: 0.976402166082898
Energy: 0.9852190683023587
Energy: 1.0096913467846447
Energy: 0.9875523337822014
Energy: 0.9668014843526977
Energy: 1.009691346793757
Energy: 0.9875523337822014
Energy: 0.9668014843526977
Energy: 1.009691346787682
Energy: 0.9875523337822014
Energy: 0.9668014843526977
Energy: 1.0096913467952757
Energy: 0.9777358255184743
Energy: 1.1763192262968167
Energy: 1.0902368927343848
Energy: 0.9777358255184743
Energy: 1.1763192262968167
Energy: 1.0902368927343848
Energy: 0.9777358255184743
Energy: 1.1763192262968167
Energy: 1.0902368927343848
Energy: 0.9777358255184743
Energy: 1.1886383514353078
Energy: 0.9765558474633306
Energy: 0.9991332308743868
Energy: 1.1886383514360672
Energy: 0.9765558474633306
Energy: 0.9991332308736273
Energy: 1.1886383514353078
Energy: 0.9765558474633306
Energy: 0.9991332308743868
Energy: 1.1886383514353078
Energy: 1.0986037545244458
Energy: 1.1028285445513466
Energy: 1.0911621410968155
Energy: 1.0986037545244458
Energy: 1.1028285445513466
Energy: 1.0911621410968155
Energy: 1.0986037545252052
Energy: 1.1028285445513466
Energy: 1.091162141096056
Energy: 1.0986037545244458
Energy: 1.0201787603044383
Energy: 0.9693472884600493
Energy: 1.00008836202628
Energy: 1.0201787603051975
Energy: 0.96934728845929
Energy: 1.00008836202628
Energy: 1.0201787603044383
Energy: 0.9693472884600493
Energy: 1.0386408725556302
Energy: 1.0201787603044383
Energy: 1.025695131629247
Energy: 0.9881890341585484
Energy: 1.0387368166140893
Energy: 1.025695131629247
Energy: 0.9881890341593078
Energy: 1.0387368166140893
Energy: 1.025695131629247
Energy: 0.9881890341585484
Energy: 1.0387368166140893
Energy: 1.025695131629247
Energy: 0.9999859640674217
Energy: 1.2299558422228365
Energy: 0.9988431565285327
Energy: 0.9999859640674217
Energy: 1.2299558422213177
Energy: 0.9988431565277734
Energy: 0.9999859640666624
Energy: 1.2299558422205583
Energy: 0.9988431565285327
Energy: 0.9999859640674217
Energy: 0.9842428168625362
Energy: 0.9608525180188565
Energy: 1.0107514709640846
Energy: 0.9842428168632957
Energy: 0.9608525180188565
Energy: 1.0107514709640846
Energy: 0.9842428168625362
Energy: 0.9608525180196158
Energy: 1.010751470962566
Energy: 0.9842428168625362

minimum gb energy = 0.9608525180188565 eV
minimum distance =  2.1931000020453 Angstroms
sigma value = 33