Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000003278256
cohesive_energy=4.450350014636681
mass=58.6934
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: 0.02054226309645927
Energy: 1.504409657824318
Energy: 1.504409657824318
Energy: 0.02054226309645927
Energy: 1.5044096578227937
Energy: 1.504409657824318
Energy: 0.02054226309493468
Energy: 1.504409657824318
Energy: 1.504409657824318
Energy: 0.02054226309645927
Energy: 2.210306792277717
Energy: 0.024330534956546038
Energy: 1.5070921496254557
Energy: 2.2103067922761923
Energy: 0.024330534956546038
Energy: 1.5070921496254557
Energy: 2.210306792277717
Energy: 0.024330534956546038
Energy: 1.5070921496254557
Energy: 2.210306792277717
Energy: 2.7201016077802707
Energy: 2.2503476720990765
Energy: 2.132476595141299
Energy: 2.6921378528434468
Energy: 2.250347672100601
Energy: 2.2503476720990765
Energy: 1.8309595836265211
Energy: 1.9207705062483709
Energy: 1.968760248871618
Energy: 1.7507069465619356
Energy: 2.210306792277717
Energy: 1.5070921496254557
Energy: 0.024330534956546038
Energy: 2.2103067922761923
Energy: 1.5070921496254557
Energy: 0.024330534956546038
Energy: 2.210306792277717
Energy: 1.5070921496254557
Energy: 0.024330534956546038
Energy: 2.2103067922761923
Energy: 0.02054226309645927
Energy: 1.504409657824318
Energy: 1.504409657824318
Energy: 0.02054226309645927
Energy: 1.504409657824318
Energy: 1.504409657824318
Energy: 0.02054226309645927
Energy: 1.504409657824318
Energy: 1.504409657824318
Energy: 0.02054226309645927
Energy: 2.210306792277717
Energy: 0.024330534956546038
Energy: 1.5070921496254557
Energy: 2.2103067922761923
Energy: 0.024330534956546038
Energy: 1.5070921496254557
Energy: 2.210306792277717
Energy: 0.024330534956546038
Energy: 1.5070921496254557
Energy: 2.210306792277717
Energy: 1.7795394664960162
Energy: 2.0674739393191945
Energy: 1.371973316130802
Energy: 1.7885186376863205
Energy: 2.0674739393191945
Energy: 1.371973316130802
Energy: 1.904370846891858
Energy: 2.0674739393207195
Energy: 1.8401327198207003
Energy: 1.7976535126478088

minimum gb energy = 0.02054226309493468 eV
minimum distance =  2.13450777109082 Angstroms
sigma value = 3


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

Energy: 2.3895455876846623
Energy: 3.307911845187563
Energy: 3.333372049123471
Energy: 2.3104661641461615
Energy: 3.307911845187563
Energy: 3.333372049123471
Energy: 2.389545587680928
Energy: 3.3079118451838285
Energy: 3.333372049123471
Energy: 2.3104661641386923
Energy: 2.4909810371800054
Energy: 2.0298216323042744
Energy: 2.2409834133154303
Energy: 2.4909810371800054
Energy: 2.0298216323042744
Energy: 2.2409834133154303
Energy: 2.4909810371800054
Energy: 2.029821632308009
Energy: 2.2409834133154303
Energy: 2.4909810371762706
Energy: 2.218880747709895
Energy: 2.4558851968156987
Energy: 2.545584973906991
Energy: 2.2246104509685467
Energy: 2.455885196811964
Energy: 2.545584973903256
Energy: 2.218880747709895
Energy: 2.455885196811964
Energy: 2.545584973906991
Energy: 2.2246104509648124
Energy: 2.775839114173236
Energy: 2.9125596738853505
Energy: 2.245128276957619
Energy: 2.775839114173236
Energy: 2.9125596738853505
Energy: 2.245128276957619
Energy: 2.7758391141769705
Energy: 2.9125596738816157
Energy: 2.245128276957619
Energy: 2.775839114173236
Energy: 1.9636255752049863
Energy: 2.3768237350878176
Energy: 2.451059054816487
Energy: 1.9636255752049863
Energy: 2.38604927698084
Energy: 2.4441521898811374
Energy: 1.963625575201252
Energy: 2.3768237350878176
Energy: 2.4510590548202216
Energy: 1.963625575201252
Energy: 2.8510132757010527
Energy: 3.028070716818461
Energy: 2.4911479064474134
Energy: 2.8510132757010527
Energy: 3.028070716818461
Energy: 2.4911479064474134
Energy: 2.8510132757010527
Energy: 3.028070716818461
Energy: 2.4911479064474134
Energy: 2.8510132757010527
Energy: 2.7087982888373348
Energy: 2.7438506302791312
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Energy: 2.7087982888373348
Energy: 2.7438506302791312
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Energy: 2.7087982888373348
Energy: 2.7438506302791312
Energy: 2.7624122773399287
Energy: 2.708798288841069
Energy: 2.461259741474115
Energy: 2.239179687701922
Energy: 2.166109810422016
Energy: 2.461259741474115
Energy: 2.2391796877056565
Energy: 2.166073003657543
Energy: 2.461259741474115
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Energy: 2.383192854975872
Energy: 3.1821091817377254
Energy: 2.686691710770439
Energy: 2.383192854975872
Energy: 3.182109181733991
Energy: 2.686691710770439
Energy: 2.383192854975872
Energy: 3.182109181733991
Energy: 2.6866917107667043
Energy: 2.383192854972138
Energy: 2.4270121462210503
Energy: 2.5518579943042146
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Energy: 2.427012146217316
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Energy: 2.4270121462210503
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Energy: 2.4270121462210503
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Energy: 2.1889471895582187
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Energy: 2.1126783150966273
Energy: 3.006945836326371
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Energy: 3.006945836326371
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Energy: 2.4334810119243504
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Energy: 2.703946405594282
Energy: 2.468785734650588
Energy: 2.4479304470509127
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Energy: 2.468805668839539
Energy: 2.4479304470509127
Energy: 2.703946405594282
Energy: 2.4687857346543227
Energy: 2.447930447047178
Energy: 2.703946405594282
Energy: 2.866090297266019
Energy: 2.417989314864289
Energy: 2.9128357446471966
Energy: 2.8660902972697535
Energy: 2.417989314864289
Energy: 2.9128357446471966
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Energy: 2.4179893148680236
Energy: 2.912835744650931
Energy: 2.8660902972697535
Energy: 2.2256488651628765
Energy: 2.4307909097665528
Energy: 2.1376526564973095
Energy: 2.225648865166611
Energy: 2.4307909097665528
Energy: 2.156710119085863
Energy: 2.225648865166611
Energy: 2.430790909762818
Energy: 2.1376526564973095
Energy: 2.2256488651628765
Energy: 2.5247322344443757
Energy: 2.476474382505782
Energy: 2.7902848521318173
Energy: 2.5247322344443757
Energy: 2.476474382505782
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Energy: 2.5247322344443757
Energy: 2.476474382505782
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Energy: 2.5247322344443757
Energy: 2.346972801046073
Energy: 2.8855500735815625
Energy: 3.2019551435523557
Energy: 2.336386953776391
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Energy: 3.2019551435523557
Energy: 2.346972801046073
Energy: 2.8855500735815625
Energy: 3.2019551435560905
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Energy: 2.324156120706992
Energy: 2.1749440630593226
Energy: 2.3177366148040135
Energy: 2.324156120706992
Energy: 2.1749440630593226
Energy: 2.3177366148040135
Energy: 2.324156120703257
Energy: 2.174944063055588
Energy: 2.3177366148040135
Energy: 2.324156120706992
Energy: 2.931019975162503
Energy: 2.8401063475111634
Energy: 2.515155725656983
Energy: 2.931019975166237
Energy: 2.8401063475111634
Energy: 2.515155725656983
Energy: 2.931019975162503
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Energy: 2.515155725656983
Energy: 2.931019975162503
Energy: 2.936792663538529
Energy: 2.3819818064832283
Energy: 2.8189613378060527
Energy: 2.9367926635347943
Energy: 2.393522180096369
Energy: 2.8189613378060527
Energy: 2.9367926635347943
Energy: 2.3819818064832283
Energy: 2.8189613378060527
Energy: 2.93679266353106
Energy: 2.0628580792591222
Energy: 2.4336424396006286
Energy: 2.369365952178877
Energy: 2.0628580792591222
Energy: 2.436926842250012
Energy: 2.369720947900964
Energy: 2.0628580792591222
Energy: 2.4336424396006286
Energy: 2.369365952178877
Energy: 2.062858079255388
Energy: 2.873219242445386
Energy: 2.3910737608207806
Energy: 2.835506719123174
Energy: 2.8732192424491205
Energy: 2.3910737608207806
Energy: 2.835506719123174
Energy: 2.873219242445386
Energy: 2.3910737608207806
Energy: 2.835506719123174
Energy: 2.873219242445386
Energy: 2.4504667523443975
Energy: 2.4453454281826494
Energy: 2.405017331942597
Energy: 2.4504667523406627
Energy: 2.4453454281826494
Energy: 2.4050173319538004
Energy: 2.4504667523443975
Energy: 2.4453454281826494
Energy: 2.4050173319463313
Energy: 2.4504667523406627
Energy: 2.47714388173849
Energy: 2.339576258934198
Energy: 2.216156958888929
Energy: 2.47714388173849
Energy: 2.339576258930464
Energy: 2.2315475338047084
Energy: 2.47714388173849
Energy: 2.339576258930464
Energy: 2.216156958888929
Energy: 2.4771438817347557
Energy: 2.310466164179772
Energy: 3.307911845187563
Energy: 3.333372049123471
Energy: 2.3104661641835063
Energy: 3.3079118451838285
Energy: 3.333372049123471
Energy: 2.310466164179772
Energy: 3.3079118451838285
Energy: 3.333372049123471
Energy: 2.310466164176037
Energy: 2.4909810371762706
Energy: 2.029821632308009
Energy: 2.2409834133266338
Energy: 2.4909810371762706
Energy: 2.029821632308009
Energy: 2.2409834133266338
Energy: 2.4909810371762706
Energy: 2.0298216323117435
Energy: 2.2409834133228994
Energy: 2.4909810371725363
Energy: 2.1936317945970107
Energy: 2.4558851968156987
Energy: 2.545584973906991
Energy: 2.2317261001860524
Energy: 2.455885196811964
Energy: 2.545584973903256
Energy: 2.1936317946530273
Energy: 2.4558851968082296
Energy: 2.545584973903256
Energy: 2.2317261001860524
Energy: 2.7758391141695014
Energy: 2.912559673904023
Energy: 2.245128276953885
Energy: 2.7758391141695014
Energy: 2.9125596739076896
Energy: 2.245128276953885
Energy: 2.775839114173236
Energy: 2.9125596739002884
Energy: 2.245128276953885
Energy: 2.775839114173236

minimum gb energy = 1.963625575201252 eV
minimum distance =  2.33814461265332 Angstroms
sigma value = 75


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

Energy: 2.6094876320897002
Energy: 2.6343921826671313
Energy: 2.427483370557493
Energy: 2.514108963807559
Energy: 2.6343921826671313
Energy: 2.42748337055206
Energy: 2.6094876320897002
Energy: 2.6343921826653087
Energy: 2.427483370555671
Energy: 2.5141089638093805
Energy: 2.7812557541945875
Energy: 2.050325225661748
Energy: 2.854422916774517
Energy: 2.78125575419641
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Energy: 2.2594790278547263
Energy: 2.6895800437045136
Energy: 2.682668749950022
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Energy: 2.2252213067917426
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Energy: 2.605326607751014
Energy: 2.593954761986301
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Energy: 2.4507548625864812
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Energy: 2.635993531011119
Energy: 2.3508091045508546
Energy: 2.48008102628256
Energy: 2.419305903065789
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Energy: 2.4800810262862045
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Energy: 2.374995082614544
Energy: 2.6510030281783603
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Energy: 2.7898564573310423
Energy: 2.63284114703505
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Energy: 2.7898564573292197
Energy: 2.651003028174749
Energy: 2.342559542574299
Energy: 2.7898564573310423
Energy: 2.632841146993139
Energy: 1.9490185758774408
Energy: 2.8535846357730184
Energy: 2.9717429308320122
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Energy: 1.9270727652225283
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Energy: 2.349044102041948
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Energy: 2.397695799636659
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Energy: 2.221701022262081
Energy: 2.416888249639928
Energy: 2.853962992436166
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Energy: 2.397695799631192
Energy: 2.853962992437988
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minimum gb energy = 1.7513194808821635 eV
minimum distance =  2.21040993702512 Angstroms
sigma value = 105


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

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Energy: 2.6848380898400266
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Energy: 2.68483808983797
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Energy: 2.338197829875911
Energy: 2.593368251693114
Energy: 2.211509993347307
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Energy: 2.593368251693114
Energy: 2.230603058997539
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Energy: 2.593368251693114
Energy: 2.2115099933493623
Energy: 2.6005289966719745
Energy: 2.593368251693114
Energy: 2.5589247302696383
Energy: 2.3000567399575638
Energy: 2.7342012476826962
Energy: 2.5589247302675826
Energy: 2.299281704316186
Energy: 2.734201247684753
Energy: 2.5589247302675826
Energy: 2.3000567399575638
Energy: 2.734201247684753
Energy: 2.5589247302696383
Energy: 2.4127348095546615
Energy: 2.525718425374507
Energy: 2.097517797721869
Energy: 2.412734809556717
Energy: 2.525718425374507
Energy: 2.097517797721869
Energy: 2.412734809556717
Energy: 2.525718425374507
Energy: 2.097517797723925
Energy: 2.4127348095546615
Energy: 2.2731204052192346
Energy: 2.556429199123012
Energy: 2.512893097748812
Energy: 2.2731204052212903
Energy: 2.583976495788032
Energy: 2.512893097748812
Energy: 2.2731204052212903
Energy: 2.556429199123012
Energy: 2.512893097748812
Energy: 2.2731204052212903
Energy: 2.4817966661387096
Energy: 2.414059848702929
Energy: 2.6986463528164046
Energy: 2.4817966661407658
Energy: 2.4178293359302145
Energy: 2.6986463528164046
Energy: 2.4817966661387096
Energy: 2.414059848702929
Energy: 2.6986463528143863
Energy: 2.4817966661366544
Energy: 2.743374794546642
Energy: 2.117971657671215
Energy: 3.1833236914854437
Energy: 2.743374794546642
Energy: 2.1139643937565387
Energy: 3.1833236914854437
Energy: 2.743374794546642
Energy: 2.1179716576732712
Energy: 3.1833236914854437
Energy: 2.7433747945486986

minimum gb energy = 1.9962179274078413 eV
minimum distance =  2.31860641441881 Angstroms
sigma value = 165


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

Energy: 1.9630002772512798
Energy: 3.205596390555806
Energy: 3.1593007528041435
Energy: 1.9523321985917452
Energy: 3.2055963905579232
Energy: 3.1593007528041435
Energy: 1.9630002772498685
Energy: 3.205596390555806
Energy: 3.1593007528041435
Energy: 1.9523321985924513
Energy: 2.2728740708166537
Energy: 2.2910548991840924
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Energy: 3.0006477674478003
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Energy: 2.5859168368459633
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Energy: 3.0006477674470946
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Energy: 3.224958297210164
Energy: 2.808854802294571
Energy: 2.0331973246899255
Energy: 3.224958297209459
Energy: 2.808854802296689
Energy: 2.0331973246906316
Energy: 3.224958297209459
Energy: 2.8088548022938657
Energy: 2.9331247067877726
Energy: 2.732886366866356
Energy: 2.4966287703567778
Energy: 2.933124706785655
Energy: 2.732886366866356
Energy: 2.4966287703539543
Energy: 2.933124706785655
Energy: 2.7328863668656505
Energy: 2.496628770352543
Energy: 2.933124706784244
Energy: 2.3083546760932236
Energy: 3.0443255269602862
Energy: 2.4008963342110587
Energy: 2.3083546760939293
Energy: 3.0443255269609923
Energy: 2.4008963342089418
Energy: 2.3083546760953406
Energy: 3.044325526959581
Energy: 2.400896334210353
Energy: 2.3083546760939293
Energy: 1.9523321985910396
Energy: 3.2055963905565115
Energy: 3.1593007528041435
Energy: 1.9523321985917452
Energy: 3.2055963905565115
Energy: 3.1593007528041435
Energy: 1.9523321985910396
Energy: 3.205596390557217
Energy: 3.1593007528048487
Energy: 1.9523321985917452

minimum gb energy = 1.7844056081902055 eV
minimum distance =  2.34936615429287 Angstroms
sigma value = 41


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

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Energy: 2.8923559013667193
Energy: 2.78864089475322
Energy: 1.6802172407704759
Energy: 2.892355901363981
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Energy: 1.815333257093599
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Energy: 2.5790791254656646
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Energy: 2.4537116163380905
Energy: 2.7584127601210664
Energy: 1.9905257521528672
Energy: 2.1670982904812393
Energy: 2.7584127601238047
Energy: 1.9905257521391757
Energy: 2.0896100965646927
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Energy: 1.9905257521473905
Energy: 2.1670982904812393
Energy: 2.758412760118328
Energy: 2.875647197257398
Energy: 2.802988355229204
Energy: 1.6892650389282562
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Energy: 2.802988355231942
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Energy: 2.802988355231942
Energy: 1.6892650389282562
Energy: 2.875647197257398
Energy: 2.0178180355219477
Energy: 2.3447426085832346
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Energy: 2.01781803551921
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Energy: 2.2888461339957535
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Energy: 2.3447426086735463
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Energy: 1.5273774213682878
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Energy: 1.5273774198273546
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Energy: 2.361698785261224
Energy: 1.5273774185272377
Energy: 2.4378664560043752
Energy: 1.951522116275451
Energy: 2.80674579769084
Energy: 2.4378664560043752
Energy: 1.951522116275451
Energy: 2.80674579769084
Energy: 2.437866456001637
Energy: 1.9515221162781893
Energy: 2.8067457976881016
Energy: 2.4378664560043752
Energy: 3.237336836423301
Energy: 1.795186552599874
Energy: 2.336840329898896
Energy: 3.237336836423301
Energy: 1.795186552599874
Energy: 2.336840329896158
Energy: 3.237336836423301
Energy: 1.795186552599874
Energy: 2.336840329898896
Energy: 3.2373368364205626
Energy: 2.8264747576231253
Energy: 2.7544246850921286
Energy: 1.684953752054699
Energy: 2.8264747576258635
Energy: 2.754424685094867
Energy: 1.731924172074897
Energy: 2.8264747576231253
Energy: 2.754424685094867
Energy: 1.684953752054699
Energy: 2.8264747576231253
Energy: 1.6295232007568001
Energy: 2.517739928166521
Energy: 2.3768941013936917
Energy: 1.6295232007568001
Energy: 2.5844003766329107
Energy: 2.333024287896012
Energy: 1.6295232007568001
Energy: 2.517739928163783
Energy: 2.3768941013964304
Energy: 1.629523200754062
Energy: 1.9619560976989985
Energy: 2.7893354612489065
Energy: 2.594749110941462
Energy: 1.961956097701737
Energy: 2.7752237678964935
Energy: 2.600286417974445
Energy: 1.9619560976989985
Energy: 2.7893354612489065
Energy: 2.594749110941462
Energy: 1.9619560976962604
Energy: 2.668549917105259
Energy: 1.8317155399815375
Energy: 2.5589681611822908
Energy: 2.668549917107997
Energy: 1.823382585720897
Energy: 2.5589681611822908
Energy: 2.668549917107997
Energy: 1.8317155399815375
Energy: 2.5589681611822908
Energy: 2.668549917105259
Energy: 2.3630412527318483
Energy: 1.6837349100792085
Energy: 2.4858312127158695
Energy: 2.3630412527318483
Energy: 1.6795915658621943
Energy: 2.4858312127158695
Energy: 2.3630412527318483
Energy: 1.6837349100764705
Energy: 2.4858312127158695
Energy: 2.3630412527318483
Energy: 2.695338907897081
Energy: 2.765855017673114
Energy: 1.507123553310253
Energy: 2.716559782879136
Energy: 2.7658550176785903
Energy: 1.507123553310253
Energy: 2.773103559364209
Energy: 2.7658550176785903
Energy: 1.507123553312991
Energy: 2.773103559364209

minimum gb energy = 1.4636650941082534 eV
minimum distance =  2.31516482884576 Angstroms
sigma value = 185


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

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Energy: 2.06330709939928
Energy: 2.972993479331969
Energy: 0.8595618909124051
Energy: 2.063307099385628
Energy: 2.972993479257564
Energy: 1.196763787065905
Energy: 2.0633070993885827
Energy: 2.9729934792026613
Energy: 0.8595618909120505
Energy: 1.0935522411312002
Energy: 1.6333116838452841
Energy: 1.7212944889081756
Energy: 1.3254948014054315
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Energy: 1.3254948014125825
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Energy: 0.9880404314755454
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Energy: 1.2688863643969222
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Energy: 1.1524125353921852
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Energy: 2.202501095613399
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Energy: 0.8646743005735047
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Energy: 2.393351412515366
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Energy: 1.6663319476404748
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Energy: 1.6663319476391747
Energy: 1.6343010452975226
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Energy: 1.4022085724952844
Energy: 1.27182732917188
Energy: 0.9872886879871849
Energy: 1.3149463978814409
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Energy: 1.4022085724238342
Energy: 1.2718273295322053
Energy: 0.9872856502171603
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Energy: 2.104454799988813
Energy: 1.0964364495881245
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Energy: 2.104454803679
Energy: 1.126652212450405
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Energy: 2.104454796630347
Energy: 1.0964364495864694
Energy: 0.7551311059656698
Energy: 2.063307099410686
Energy: 2.9729934793313193
Energy: 0.7507651081081419
Energy: 2.0633070993950837
Energy: 2.9729934792543133
Energy: 0.7551311059650196
Energy: 2.0633070994015847
Energy: 2.9729934791994106
Energy: 0.7507651081084373
Energy: 1.6280916651815
Energy: 1.6333116832799452
Energy: 1.5658905300657588
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Energy: 1.3842497821359856
Energy: 0.9880404380664193
Energy: 1.6708055209422101
Energy: 1.8744312715887042
Energy: 0.9880405484056847
Energy: 1.4366301033271298
Energy: 1.3842497821404771
Energy: 0.9880404922098902
Energy: 1.670805520944515
Energy: 1.8744312715942595
Energy: 2.5599181716551067
Energy: 2.0598506012944817
Energy: 1.184607643677186
Energy: 2.559918171654456
Energy: 2.054262888104594
Energy: 1.1892749479406235
Energy: 2.5599181716551067
Energy: 2.0621818196096586
Energy: 1.1846076436674347
Energy: 2.5599181716557564
Energy: 1.620064799947671
Energy: 3.0097500784091165
Energy: 0.8622212331981729
Energy: 1.6200647999983777
Energy: 3.009750078410062
Energy: 0.865298226107429
Energy: 1.620064799996723
Energy: 3.009750078408762
Energy: 0.862221233199473
Energy: 1.6200648000994364
Energy: 1.5261561184930994
Energy: 2.258067864546263
Energy: 1.6103000703789287
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Energy: 2.187686191621431
Energy: 1.5768331745225403
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Energy: 2.258067864548213
Energy: 1.6103000703786334
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Energy: 1.7988907976487674
Energy: 1.2387987953721897
Energy: 2.893441190114009
Energy: 1.7988901042736802
Energy: 1.2131103024143823
Energy: 2.8934411901088084
Energy: 1.798892554676947
Energy: 1.238798794809451
Energy: 2.893441190115014
Energy: 1.7988871484733762
Energy: 2.3933514126215663
Energy: 0.8669514816445003
Energy: 2.0650492878422444
Energy: 2.3933514126670725
Energy: 0.9170756123700036
Energy: 2.065049287794788
Energy: 2.3933514126589763
Energy: 0.8669514816426093
Energy: 2.065049287734034
Energy: 2.3933514127057234
Energy: 1.7460101188537207
Energy: 1.6606908438013168
Energy: 1.5984204865448624
Energy: 1.6513808613191523
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Energy: 1.5984204887467057
Energy: 1.7460101188660724
Energy: 1.660690843804922
Energy: 1.5984204936413264
Energy: 1.6513808615771186
Energy: 1.3625987775466553
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Energy: 0.9872898241665441
Energy: 1.464877098827348
Energy: 1.286615532164016
Energy: 0.9872875188543428
Energy: 1.3625987775450006
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Energy: 0.9872866866778379
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Energy: 2.8512256297161196
Energy: 2.104454803458739
Energy: 1.2060140645253687
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Energy: 2.1044548043752433
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Energy: 2.104454795137098
Energy: 1.2060140645266688
Energy: 1.196763787067205
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Energy: 0.8595618909120505
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Energy: 1.1967637870662597
Energy: 2.0633070993953795
Energy: 2.972993479178608
Energy: 0.8595618909120505
Energy: 1.0935522413349137
Energy: 1.6333116827997083
Energy: 1.7212944815501403
Energy: 1.3254948014619299
Energy: 1.6333116831246335
Energy: 1.7884971172291226
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Energy: 1.6333116823159848
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Energy: 1.2688863641633639
Energy: 2.0712843227962967
Energy: 0.9880404717630104
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Energy: 1.1524125381301136
Energy: 2.5599181716547523
Energy: 2.0604533039220354
Energy: 1.2474288151196735
Energy: 2.5599181716551067
Energy: 2.0597601600806636
Energy: 1.3109747291315608
Energy: 2.559918171654456
Energy: 2.062076922583595
Energy: 1.2474288150472181
Energy: 2.5599181716551067
Energy: 1.62006479990772
Energy: 3.0097500784107125
Energy: 0.916794692822753
Energy: 1.6200647999424702
Energy: 3.009750078410062
Energy: 0.8665920773699032
Energy: 1.6200648000425835
Energy: 3.0097500784091165
Energy: 0.9167946927308543
Energy: 1.6200648001172844
Energy: 1.5261561184410923
Energy: 2.2025010956136946
Energy: 1.6089300975557113
Energy: 1.5261561184141434
Energy: 2.2376341118668455
Energy: 1.5955801484156276
Energy: 1.5261561184170394
Energy: 2.2025010956136946
Energy: 1.6089300975534067
Energy: 1.5261561183923358
Energy: 1.7988855101292103
Energy: 1.2087244197447455
Energy: 2.893441190113359
Energy: 1.798888285066959
Energy: 1.2064827820186774
Energy: 2.8934411901130637
Energy: 1.7988863160600035
Energy: 1.2087244197460456
Energy: 2.893441190115014
Energy: 1.798887157195648
Energy: 2.3933514126687276
Energy: 0.8646743005774051
Energy: 2.0650492878805404
Energy: 2.3933514126323225
Energy: 0.8624996230702959
Energy: 2.065049287811336
Energy: 2.393351412654071
Energy: 0.8646743005784099
Energy: 2.06504928777629
Energy: 2.393351412712579
Energy: 1.6663319476401204
Energy: 1.6343010452991182
Energy: 1.598420484648796
Energy: 1.636184533882625
Energy: 1.632135615946128
Energy: 1.5984204897717742
Energy: 1.6663319476394705
Energy: 1.634301045297168
Energy: 1.5984204915811429
Energy: 1.6361845338809704
Energy: 1.4022085725804458
Energy: 1.2718273287794049
Energy: 0.9872889711961315
Energy: 1.3149463978859914
Energy: 1.0979454588217654
Energy: 0.9872862769587798
Energy: 1.4022085725238882
Energy: 1.2718273290598285
Energy: 0.9872861850783112
Energy: 1.3149463979041938
Energy: 1.1266522124491047
Energy: 2.851225629715765
Energy: 2.1044547982889545
Energy: 1.0964364495884198
Energy: 2.8512256297161196
Energy: 2.1044548004079413
Energy: 1.126652212451055
Energy: 2.85122562971547
Energy: 2.1044547914982084
Energy: 1.0964364495864694

minimum gb energy = 0.7507651081081419 eV
minimum distance =  2.28200856666011 Angstroms
sigma value = 33


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

Energy: 1.3534690867109156
Energy: 3.0588465929991666
Energy: 3.04649813820478
Energy: 1.4137535291044099
Energy: 3.0588465930045197
Energy: 3.0464981382083494
Energy: 1.3534690867251906
Energy: 3.0588465929991666
Energy: 3.0464981382065646
Energy: 1.4137535291026255
Energy: 2.2024358880462183
Energy: 1.73659914126312
Energy: 2.756797782746882
Energy: 2.202435888044434
Energy: 1.7365991412613357
Energy: 2.756797782746882
Energy: 2.2024358880462183
Energy: 1.7365991412595514
Energy: 2.7567977827486665
Energy: 2.202435888048002
Energy: 2.625148687355185
Energy: 1.662729788369176
Energy: 2.6663173606735366
Energy: 2.6286578369347398
Energy: 1.662729788369176
Energy: 2.676558839642559
Energy: 2.638800783871321
Energy: 1.6627297883709604
Energy: 2.6765588396443434
Energy: 2.638800783871321
Energy: 2.2037066378641046
Energy: 1.9621719277103473
Energy: 2.2705305577525783
Energy: 2.2037066378712415
Energy: 1.9621719277121314
Energy: 2.270530557750794
Energy: 2.203706637881948
Energy: 1.9621719277103473
Energy: 2.2705305577525783
Energy: 2.2037066378944394
Energy: 2.792711831301925
Energy: 2.7647384932442325
Energy: 1.346107339531576
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Energy: 1.3461073395297918
Energy: 2.7927118313001404
Energy: 2.7647384932335584
Energy: 1.3461073395297918
Energy: 2.792711831301925
Energy: 1.8010514470085977
Energy: 3.143246304615039
Energy: 2.047229853668656
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Energy: 2.0472298536704403
Energy: 1.8010514470103822
Energy: 1.351942237133991
Energy: 2.497190929145158
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Energy: 1.3410119335087989
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Energy: 1.3519422371304222
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Energy: 2.739642752017833
Energy: 1.3410119335087989
Energy: 2.322949180326991
Energy: 1.9926914208390152
Energy: 2.040076392893897
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Energy: 1.9926914208390152
Energy: 2.0400763928172005
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Energy: 2.0400763929081718
Energy: 2.322949180326991
Energy: 2.435238205014262
Energy: 1.4191933452962822
Energy: 2.6977296762686773
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Energy: 1.419193345408667
Energy: 2.697729676266893
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Energy: 1.4191933454318315
Energy: 2.6977296762651086
Energy: 2.435238205012478
Energy: 3.0578538191510964
Energy: 1.8069468748914854
Energy: 2.13028373466465
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Energy: 1.8069468748968385
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Energy: 3.0578538191510964
Energy: 2.58487109337705
Energy: 2.7809476800964945
Energy: 1.373518226915383
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Energy: 2.780947680092926
Energy: 1.3840497500553097
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Energy: 2.780947680092926
Energy: 1.3735182269082453
Energy: 2.58487109337705
Energy: 1.7239165773749971
Energy: 2.144648282650769
Energy: 2.1549061525665754
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Energy: 2.1483279933433135
Energy: 2.145671645998473
Energy: 1.7239165773749971
Energy: 2.144648282650769
Energy: 2.154906152564791
Energy: 1.7239165773714284
Energy: 1.6332554685684515
Energy: 2.6647849520941547
Energy: 2.6600449040721488
Energy: 1.633255468566667
Energy: 2.664150739246185
Energy: 2.638294620661523
Energy: 1.6332554685648826
Energy: 2.6647849520941547
Energy: 2.66004490406858
Energy: 1.6332554685648826
Energy: 1.8799491184157995
Energy: 2.1219188886576954
Energy: 2.4283220145314584
Energy: 1.8799491184157995
Energy: 2.0993305161625937
Energy: 2.4283220145314584
Energy: 1.8799491184122312
Energy: 2.1219188886576954
Energy: 2.4283220145314584
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Energy: 2.6825292544478856
Energy: 1.3229164843459025
Energy: 2.7940280684495398
Energy: 2.682529254446101
Energy: 1.2533421895759809
Energy: 2.7940280684495398
Energy: 2.682529254446101
Energy: 1.322916484328091
Energy: 2.7940280684495398
Energy: 2.682529254446101
Energy: 2.9273335967847323
Energy: 2.2570046197858153
Energy: 1.6502502976782263
Energy: 2.9273335967829475
Energy: 2.2570046197858153
Energy: 1.6502502976782263
Energy: 2.9273335967829475
Energy: 2.2570046197858153
Energy: 1.6502502976800109
Energy: 2.927333596781163
Energy: 2.483742300944861
Energy: 2.843227125359186
Energy: 1.5681878273703709
Energy: 2.4837423009430775
Energy: 2.8432271253556167
Energy: 1.5681878273935357
Energy: 2.4837423009412927
Energy: 2.843227125359186
Energy: 1.5681878274524206
Energy: 2.4837423009395083
Energy: 2.364369832280601
Energy: 2.1197730044704874
Energy: 2.172351617218447
Energy: 2.364369832280601
Energy: 2.1197730044704874
Energy: 2.1723516172202317
Energy: 2.364369832277032
Energy: 2.1197730044669183
Energy: 2.1723516172202317
Energy: 2.364369832278817
Energy: 1.4929553501462345
Energy: 2.6928430355483735
Energy: 2.568080534653326
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Energy: 2.927446665602351
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Energy: 2.9274466655987816
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Energy: 2.4508233446901424
Energy: 1.455855627717676
Energy: 2.373404109863949
Energy: 2.4508233446901424
Energy: 1.4558556279138624

minimum gb energy = 1.2290963659821132 eV
minimum distance =  2.2562373926358 Angstroms
sigma value = 219


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

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Energy: 1.66000840077991
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Energy: 1.7943055133168215
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Energy: 2.917499510251191
Energy: 2.253020335883439
Energy: 2.2793064717763785
Energy: 2.9174995102523718
Energy: 2.2530203358846204

minimum gb energy = 1.66000840077991 eV
minimum distance =  2.30724083322974 Angstroms
sigma value = 15


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

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minimum gb energy = 1.8562805130987983 eV
minimum distance =  2.3091339096078 Angstroms
sigma value = 293


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

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Energy: 2.122437453542614
Energy: 2.717803059777248
Energy: 2.720424026067506
Energy: 2.1224374535452815
Energy: 2.71780305971061
Energy: 2.720424026067506
Energy: 2.122437453542614
Energy: 2.7178030598572724
Energy: 2.720424026067506
Energy: 2.1224374535452815
Energy: 2.4361416827314692
Energy: 2.349711679263983
Energy: 2.888542491812488
Energy: 2.4361416827314692
Energy: 2.349711679263983
Energy: 2.888542491812488
Energy: 2.4361416827314692
Energy: 2.349711679263983
Energy: 2.888542491812488
Energy: 2.4361416827314692
Energy: 2.3382789202346492
Energy: 2.400700321195045
Energy: 2.232428322157158
Energy: 2.3382789202346492
Energy: 2.400700321195045
Energy: 2.232428322154539
Energy: 2.3382789202346492
Energy: 2.400700321195045
Energy: 2.232428322154539
Energy: 2.3382789202346492
Energy: 2.6627357445627235
Energy: 2.570283317415801
Energy: 2.475139323162652
Energy: 2.6627357445653907
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Energy: 2.475139323162652
Energy: 2.6627357445627235
Energy: 2.570283317415801
Energy: 2.475139323162652
Energy: 2.6627357445627235
Energy: 3.0115011148451627
Energy: 2.2977193446861737
Energy: 2.623813667677354
Energy: 3.011501114842495
Energy: 2.2977193446861737
Energy: 2.6238136676800212
Energy: 3.011501114839828
Energy: 2.2977193446861737
Energy: 2.623813667677354
Energy: 3.011501114842495
Energy: 2.8163288244414453
Energy: 2.642954598314509
Energy: 2.2211068044847524
Energy: 2.8163288240974866
Energy: 2.642954598319844
Energy: 2.2211068044847524
Energy: 2.816328824174795
Energy: 2.6429545983118414
Energy: 2.2211068044847524
Energy: 2.816328823292249
Energy: 2.1845845719548556
Energy: 2.7027524565834984
Energy: 2.615558952758147
Energy: 2.1845845719548556
Energy: 2.7027524565834984
Energy: 2.615558952758147
Energy: 2.1845845719548556
Energy: 2.7027524565834984
Energy: 2.615558952758147
Energy: 2.1845845719548556
Energy: 3.1121871072308345
Energy: 2.670810559968824
Energy: 2.6626003179573092
Energy: 3.1121871072308345
Energy: 2.670810559968824
Energy: 2.6626003179573092
Energy: 3.1121871072308345
Energy: 2.670810559968824
Energy: 2.6626003179573092
Energy: 3.1121871072308345
Energy: 2.1862925409324254
Energy: 2.6032725414612687
Energy: 2.7518236104493607
Energy: 2.1862925409324254
Energy: 2.6032725414612687
Energy: 2.7518236104493607
Energy: 2.1862925409324254
Energy: 2.603272541463936
Energy: 2.7518236104466935
Energy: 2.1862925409324254
Energy: 2.8536525993284023
Energy: 2.2165116213518137
Energy: 2.6653635906509203
Energy: 2.8536525993284023
Energy: 2.2165116213518137
Energy: 2.6653635906482527
Energy: 2.8536525993284023
Energy: 2.2165116213518137
Energy: 2.6653635906482527
Energy: 2.8536525993284023
Energy: 2.900253231618223
Energy: 2.524853709314564
Energy: 2.294644104672978
Energy: 2.9002532316155554
Energy: 2.524853709314564
Energy: 2.294644104672978
Energy: 2.900253231618223
Energy: 2.524853709314564
Energy: 2.294644104672978
Energy: 2.900253231618223
Energy: 2.6067621150000173
Energy: 2.4882723729884826
Energy: 2.4267137743674128
Energy: 2.606762115133294
Energy: 2.4882723729884826
Energy: 2.42671377437008
Energy: 2.606762115786534
Energy: 2.4882723729884826
Energy: 2.4267137743674128
Energy: 2.606762116567764

minimum gb energy = 2.122437453537279 eV
minimum distance =  2.27314883729098 Angstroms
sigma value = 293


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

Energy: 2.2879160090089985
Energy: 2.31152044537745
Energy: 2.299975404058908
Energy: 2.2879160090094808
Energy: 2.311520445375521
Energy: 2.2999754040675864
Energy: 2.2879160090089985
Energy: 2.3115204453760034
Energy: 2.299975404079157
Energy: 2.2879160090094808
Energy: 2.8361557303059555
Energy: 2.6594376817981673
Energy: 2.6436229867341137
Energy: 2.8361557303054736
Energy: 2.659437681797203
Energy: 2.6436229867302568
Energy: 2.8361557303059555
Energy: 2.6594376817967214
Energy: 2.643622986728328
Energy: 2.8361557303049914
Energy: 2.300692036131571
Energy: 2.699282164872123
Energy: 2.3670668219593978
Energy: 2.3006920361301244
Energy: 2.6992821648740506
Energy: 2.3670668219598796
Energy: 2.3006920361296426
Energy: 2.699282164865855
Energy: 2.3670668219593978
Energy: 2.300692036132053
Energy: 2.35261864104513
Energy: 2.6931622813922904
Energy: 2.3016219610228084
Energy: 2.3526186410436836
Energy: 2.6931622813855847
Energy: 2.3016219610213615
Energy: 2.3526186410436836
Energy: 2.693162281393255
Energy: 2.30162196102329
Energy: 2.3526186410436836
Energy: 2.65006149091414
Energy: 2.6590501111048437
Energy: 2.7782225891487244
Energy: 2.6500614909151046
Energy: 2.6590501111067715
Energy: 2.7782225891762047
Energy: 2.650061490913176
Energy: 2.659050111107254
Energy: 2.778222589182955
Energy: 2.650061490911247
Energy: 2.311520445380824
Energy: 2.2999754040314273
Energy: 2.2879160090089985
Energy: 2.311520445375521
Energy: 2.2999754040396234
Energy: 2.2879160090094808
Energy: 2.311520445375521
Energy: 2.2999754040545692
Energy: 2.2879160090089985
Energy: 2.3115204453764853
Energy: 2.6594376817991314
Energy: 2.6436229867331495
Energy: 2.83615573030692
Energy: 2.6594376817981673
Energy: 2.643622986733631
Energy: 2.8361557303059555
Energy: 2.659437681797203
Energy: 2.64362298672881
Energy: 2.8361557303059555
Energy: 2.6594376817996137
Energy: 2.699282164874533
Energy: 2.367066821958915
Energy: 2.3006920361296426
Energy: 2.699282164866819
Energy: 2.3670668219593978
Energy: 2.300692036128196
Energy: 2.699282164867783
Energy: 2.3670668219593978
Energy: 2.300692036131571
Energy: 2.6992821648615157
Energy: 2.6931622813846205
Energy: 2.3016219610203974
Energy: 2.3526186410441654
Energy: 2.693162281379317
Energy: 2.30162196102329
Energy: 2.3526186410436836
Energy: 2.693162281386067
Energy: 2.3016219610203974
Energy: 2.3526186410436836
Energy: 2.693162281381728
Energy: 2.6590501111082183
Energy: 2.7782225891270294
Energy: 2.650061490914622
Energy: 2.659050111107254
Energy: 2.778222589142939
Energy: 2.650061490914622
Energy: 2.659050111107736
Energy: 2.7782225891154586
Energy: 2.650061490912694
Energy: 2.659050111107736
Energy: 2.2999754040314273
Energy: 2.2879160090094808
Energy: 2.311520445383235
Energy: 2.2999754040401057
Energy: 2.2879160090089985
Energy: 2.3115204453822704
Energy: 2.2999754040555334
Energy: 2.2879160090094808
Energy: 2.311520445380824
Energy: 2.299975404062765
Energy: 2.6436229867331495
Energy: 2.8361557303064377
Energy: 2.6594376817981673
Energy: 2.643622986733631
Energy: 2.8361557303059555
Energy: 2.6594376817981673
Energy: 2.64362298672881
Energy: 2.8361557303059555
Energy: 2.6594376817967214
Energy: 2.6436229867249534
Energy: 2.3670668219593978
Energy: 2.3006920361325354
Energy: 2.699282164870194
Energy: 2.3670668219593978
Energy: 2.3006920361306067
Energy: 2.699282164861034
Energy: 2.3670668219593978
Energy: 2.3006920361291603
Energy: 2.6992821648600698
Energy: 2.3670668219593978
Energy: 2.3016219610228084
Energy: 2.3526186410436836
Energy: 2.693162281394219
Energy: 2.3016219610208797
Energy: 2.3526186410436836
Energy: 2.6931622813894416
Energy: 2.3016219610223256
Energy: 2.3526186410432017
Energy: 2.6931622813812455
Energy: 2.3016219610203974
Energy: 2.7782225890571657
Energy: 2.65006149091414
Energy: 2.6590501111082183
Energy: 2.7782225890885033
Energy: 2.650061490914622
Energy: 2.6590501111067715
Energy: 2.778222589086093
Energy: 2.6500614909122118
Energy: 2.659050111107254
Energy: 2.778222589137636
Energy: 2.2879160090089985
Energy: 2.311520445375521
Energy: 2.2999754040401057
Energy: 2.2879160090094808
Energy: 2.3115204453760034
Energy: 2.299975404042516
Energy: 2.2879160090089985
Energy: 2.3115204453760034
Energy: 2.2999754040613185
Energy: 2.2879160090094808
Energy: 2.8361557303064377
Energy: 2.6594376817986496
Energy: 2.643622986733631
Energy: 2.8361557303064377
Energy: 2.6594376817981673
Energy: 2.6436229867331495
Energy: 2.83615573030692
Energy: 2.6594376817981673
Energy: 2.6436229867263994
Energy: 2.8361557303059555
Energy: 2.300692036131571
Energy: 2.6992821648711582
Energy: 2.3670668219593978
Energy: 2.3006920361296426
Energy: 2.6992821648639262
Energy: 2.3670668219593978
Energy: 2.300692036133017
Energy: 2.699282164863444
Energy: 2.3670668219593978
Energy: 2.3006920361325354
Energy: 2.3526186410436836
Energy: 2.693162281374496
Energy: 2.3016219610223256
Energy: 2.3526186410441654
Energy: 2.6931622813812455
Energy: 2.3016219610218442
Energy: 2.3526186410436836
Energy: 2.6931622813797995
Energy: 2.3016219610228084
Energy: 2.3526186410432017
Energy: 2.6500614909136586
Energy: 2.6590501111053255
Energy: 2.7782225890933248
Energy: 2.65006149091414
Energy: 2.6590501111053255
Energy: 2.7782225891043697
Energy: 2.6500614909136586
Energy: 2.6590501111067715
Energy: 2.77822258912269
Energy: 2.6500614909107654
Energy: 2.311520445374557
Energy: 2.299975404010214
Energy: 2.2879160090089985
Energy: 2.3115204453764853
Energy: 2.2999754040217852
Energy: 2.2879160090094808
Energy: 2.3115204453760034
Energy: 2.2999754040323914
Energy: 2.2879160090089985
Energy: 2.311520445375521
Energy: 2.6594376817976855
Energy: 2.643622986733631
Energy: 2.83615573030692
Energy: 2.6594376817991314
Energy: 2.643622986733631
Energy: 2.8361557303064377
Energy: 2.6594376817991314
Energy: 2.643622986727846
Energy: 2.83615573030692
Energy: 2.659437681797203

minimum gb energy = 2.2879160090089985 eV
minimum distance =  2.33951584420716 Angstroms
sigma value = 15


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

Energy: 2.1810457598835677
Energy: 3.125261096965692
Energy: 3.0782628145452215
Energy: 2.1250289209029516
Energy: 3.125261096965692
Energy: 3.0782628145452215
Energy: 2.1810457599010515
Energy: 3.1252610969613213
Energy: 3.0782628145452215
Energy: 2.1250289209051365
Energy: 2.747344581236876
Energy: 2.3637153132192004
Energy: 2.418139887383277
Energy: 2.747344581236876
Energy: 2.3637153132213857
Energy: 2.4181398873810913
Energy: 2.747344581236876
Energy: 2.3637153132235715
Energy: 2.418139887383277
Energy: 2.74734458123469
Energy: 2.597526509447164
Energy: 2.3913836566714073
Energy: 2.5984520166020597
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Energy: 2.3913836566692224
Energy: 2.598452016604245
Energy: 2.597526509447164
Energy: 2.3913836566670366
Energy: 2.5984520166020597
Energy: 2.597526509447164
Energy: 2.6521923683184307
Energy: 2.5325785279114803
Energy: 2.390695115700821
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Energy: 2.5325785279114803
Energy: 2.390695115700821
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Energy: 2.5325785279092945
Energy: 2.3906951156986356
Energy: 2.6521923683184307
Energy: 2.472363636608329
Energy: 2.268315820919935
Energy: 2.590883372932128
Energy: 2.472363636610514
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Energy: 2.268315820919935
Energy: 2.5908833729299428
Energy: 2.472363636608329
Energy: 2.629774508621877
Energy: 2.7889113073248986
Energy: 1.977453877247362
Energy: 2.6297745086240227
Energy: 2.788911307322713
Energy: 1.977453877247362
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Energy: 2.7889113073248986
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Energy: 2.4132406528117722
Energy: 2.5779823512438074
Energy: 2.72906286923192
Energy: 2.4078103573835383
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Energy: 2.729062869236291
Energy: 2.4132406528117722
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Energy: 2.7290628692341055
Energy: 2.40781035738787
Energy: 2.3098826640228833
Energy: 2.560216592358425
Energy: 2.5391945230017647
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Energy: 2.560216592358425
Energy: 2.5391945230017647
Energy: 2.3098826640206975
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Energy: 2.539194522999579
Energy: 2.3098826640228833
Energy: 2.9856983354477022
Energy: 2.6266441498935302
Energy: 2.538157933903457
Energy: 2.9856983354477022
Energy: 2.614481431956036
Energy: 2.5390386190550993
Energy: 2.985698335443332
Energy: 2.6266441498957156
Energy: 2.5381579339078275
Energy: 2.9856983354477022
Energy: 2.2493372934959814
Energy: 2.5024350487149265
Energy: 2.5839674950580145
Energy: 2.2047266158562775
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Energy: 2.5994950943439106
Energy: 2.2493372934916107
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Energy: 2.5839674950580145
Energy: 2.2047266158562775
Energy: 2.7274077369397434
Energy: 2.287760781814711
Energy: 2.8266004696897515
Energy: 2.7274077369375576
Energy: 2.2877607818168966
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Energy: 2.727407736941929
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Energy: 2.8266004696897515
Energy: 2.7274077369375576
Energy: 2.5075287425092183
Energy: 2.3129150585017113
Energy: 2.7380082043177123
Energy: 2.5075287425092183
Energy: 2.3149670552363473
Energy: 2.738008204319898
Energy: 2.5075287425092183
Energy: 2.312915058499526
Energy: 2.7380082043177123
Energy: 2.5075287425092183
Energy: 2.6181507309385434
Energy: 2.391010975185423
Energy: 2.4771531651289123
Energy: 2.618150730947246
Energy: 2.391010975187609
Energy: 2.477153165126727
Energy: 2.618150730936358
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Energy: 2.477153165131098
Energy: 2.618150730951616
Energy: 2.5611724082198406
Energy: 2.2826169427979357
Energy: 2.8199623727699463
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Energy: 2.282616942800121
Energy: 2.8199623727699463
Energy: 2.561172408222026
Energy: 2.282616942800121
Energy: 2.8199623727699463
Energy: 2.5611724082242113
Energy: 2.6011915395811642
Energy: 2.631640550892703
Energy: 2.36376084469967
Energy: 2.6011915395811642
Energy: 2.631640550892703
Energy: 2.376948672963138
Energy: 2.6011915395811642
Energy: 2.6316405508905176
Energy: 2.3637608447018548
Energy: 2.6011915395811642
Energy: 2.4804107301349116
Energy: 2.890587583634211
Energy: 2.704504142161754
Energy: 2.4804107301349116
Energy: 2.890587583636397
Energy: 2.704504142161754
Energy: 2.4804107301349116
Energy: 2.890587583636397
Energy: 2.704504142161754
Energy: 2.4804107301349116
Energy: 2.471081453258288
Energy: 2.903812982491696
Energy: 2.8505360339262356
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Energy: 2.903812982489511
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Energy: 2.903812982489511
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Energy: 2.7328819766721333
Energy: 2.215094680397181
Energy: 2.579110321469791
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Energy: 2.215094680397181
Energy: 2.579110321469791
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Energy: 2.6179745489147046
Energy: 2.6615416542056125
Energy: 2.6661747503314888
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Energy: 2.586518485623542
Energy: 2.4164505407883388
Energy: 2.418922245653717
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Energy: 2.586518485623542
Energy: 2.728669101548613
Energy: 2.2223142234422175
Energy: 2.8213474619676573
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Energy: 2.757717318210376
Energy: 2.7156560579181046
Energy: 2.0242575015269004
Energy: 2.7577173182125607
Energy: 2.715656057915919
Energy: 2.0242575015290862
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Energy: 2.715656057922475
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Energy: 2.7577173182125607
Energy: 2.393191505359895
Energy: 2.3538262972560307
Energy: 2.891451511634375
Energy: 2.3836957172994255
Energy: 2.302731497889578
Energy: 2.8914515116321895
Energy: 2.393191505359895
Energy: 2.3538262972123225
Energy: 2.891451511634375
Energy: 2.3836957172994255
Energy: 2.5172857234348758
Energy: 2.724848174739985
Energy: 2.418178732322932
Energy: 2.51728572343269
Energy: 2.724848174739985
Energy: 2.418178732329488
Energy: 2.5172857234348758
Energy: 2.724848174739985
Energy: 2.418178732325117
Energy: 2.5172857234370607
Energy: 2.600565698858464
Energy: 2.532093795683719
Energy: 2.5968607609759444
Energy: 2.600565698858464
Energy: 2.5320937956859044
Energy: 2.5968607609759444
Energy: 2.600565698858464
Energy: 2.5320937956859044
Energy: 2.5968607609759444
Energy: 2.600565698858464
Energy: 2.196878047944277
Energy: 2.5514433219457864
Energy: 2.347527617677611
Energy: 2.2066619618536314
Energy: 2.5514433219436006
Energy: 2.334426735238767
Energy: 2.1968780479420915
Energy: 2.5514433219479717
Energy: 2.347527617677611
Energy: 2.206661961851446
Energy: 2.923875826629367
Energy: 2.0594846906077557
Energy: 3.122416533039367
Energy: 2.923875826627181
Energy: 2.059484690603385
Energy: 3.1224165330437375
Energy: 2.923875826629367
Energy: 2.0594846906055704
Energy: 3.122416533041552
Energy: 2.923875826627181
Energy: 2.2921441384902757
Energy: 2.700725707005316
Energy: 2.5819952347056465
Energy: 2.2921441384815338
Energy: 2.700725707005316
Energy: 2.581995234707832
Energy: 2.2921441384924606
Energy: 2.700725707005316
Energy: 2.581995234707832
Energy: 2.292144138426898
Energy: 2.4492216350253306
Energy: 2.423897191739092
Energy: 2.631148177439186
Energy: 2.499566650560306
Energy: 2.4118599280281408
Energy: 2.6311481774370007
Energy: 2.4492216353092773
Energy: 2.423897191739092
Energy: 2.6311481774370007
Energy: 2.4995666505646774
Energy: 2.6073436295429726
Energy: 2.3282859137563436
Energy: 2.6691274439785095
Energy: 2.6073436295407872
Energy: 2.3282859137563436
Energy: 2.669127444000364
Energy: 2.6073436295429726
Energy: 2.3282859137563436
Energy: 2.6691274439632116
Energy: 2.6073436295407872
Energy: 2.750952064774312
Energy: 2.5856654555951906
Energy: 2.1212302450946203
Energy: 2.7509520647764973
Energy: 2.585665455597376
Energy: 2.115710630499767
Energy: 2.7509520647764973
Energy: 2.5856654555951906
Energy: 2.121230245096806
Energy: 2.7509520647764973
Energy: 2.1602670081000954
Energy: 2.7926153345678197
Energy: 2.797439850455358
Energy: 2.1602670081022812
Energy: 2.792615334570005
Energy: 2.797439850455358
Energy: 2.1602670081022812
Energy: 2.7926153345678197
Energy: 2.797439850455358
Energy: 2.1602670081022812
Energy: 2.5343228169190417
Energy: 2.47096418494841
Energy: 2.56874304524996
Energy: 2.507703023153978
Energy: 2.4709641849396684
Energy: 2.568743045241258
Energy: 2.5343228169190417
Energy: 2.470964184941853
Energy: 2.568743045241258
Energy: 2.507703023153978
Energy: 2.65857500568088
Energy: 2.289711311874192
Energy: 2.4315161086708508
Energy: 2.6143514554899783
Energy: 2.2897113118698207
Energy: 2.466113448803051
Energy: 2.65857500568088
Energy: 2.2897113118720065
Energy: 2.4315161086686654
Energy: 2.6143514554921636
Energy: 2.13498022192664
Energy: 2.902848945177977
Energy: 2.9155479328310476
Energy: 2.1349802219288256
Energy: 2.902848945177977
Energy: 2.9155479328332334
Energy: 2.1349802219288256
Energy: 2.9028489451801627
Energy: 2.9155479328332334
Energy: 2.13498022192664
Energy: 2.6567195122052754
Energy: 2.2369513083718378
Energy: 2.5262677827453475
Energy: 2.6567195122030904
Energy: 2.2369513083718378
Energy: 2.5262677827431617
Energy: 2.656719512207461
Energy: 2.236951308369653
Energy: 2.5262677827453475
Energy: 2.6567195122052754
Energy: 2.8398948855358856
Energy: 2.666642688284636
Energy: 2.314342386392884
Energy: 2.8398948855337
Energy: 2.666642688282451
Energy: 2.3298768957311706
Energy: 2.8398948855337
Energy: 2.666642688282451
Energy: 2.314342386392884
Energy: 2.8398948855337
Energy: 2.638359661501592
Energy: 2.5866768576382113
Energy: 2.3923181935457367
Energy: 2.638359661501592
Energy: 2.5866768576403967
Energy: 2.3923181935457367
Energy: 2.6383596614994063
Energy: 2.5866768576382113
Energy: 2.392318193547922
Energy: 2.638359661501592
Energy: 2.4031322548864567
Energy: 2.5083160007566248
Energy: 2.860107277083385
Energy: 2.4031322548864567
Energy: 2.5083160007566248
Energy: 2.860107277083385
Energy: 2.4031322548864567
Energy: 2.5083160007566248
Energy: 2.86010727708557
Energy: 2.4031322548864567
Energy: 2.582260950312083
Energy: 2.611775018341034
Energy: 2.0709479949815277
Energy: 2.582260950309897
Energy: 2.6117750183388493
Energy: 2.0709479949815277
Energy: 2.582260950309897
Energy: 2.611775018341034
Energy: 2.0709479949815277
Energy: 2.582260950312083
Energy: 2.3262872191882824
Energy: 2.5217324621096746
Energy: 2.7048882343489513
Energy: 2.326287219186097
Energy: 2.521732462107489
Energy: 2.704888234351137
Energy: 2.3262872191904678
Energy: 2.521732462107489
Energy: 2.704888234351137
Energy: 2.3262872191904678
Energy: 2.5756959696411843
Energy: 2.6563001592713857
Energy: 2.514214033314286
Energy: 2.5756959696411843
Energy: 2.6769804187374824
Energy: 2.5353567149348146
Energy: 2.575695969645555
Energy: 2.6563001592692004
Energy: 2.5142140333121006
Energy: 2.575695969638999
Energy: 2.6492215043266487
Energy: 2.2447451727202545
Energy: 2.7550412713205152
Energy: 2.649221504328834
Energy: 2.2447451727180696
Energy: 2.75504127131833
Energy: 2.649221504328834
Energy: 2.2447451727180696
Energy: 2.7550412713205152
Energy: 2.6492215043266487
Energy: 2.2982342350253213
Energy: 3.0899044291814066
Energy: 2.550545068741814
Energy: 2.298234235023136
Energy: 3.0899044291814066
Energy: 2.5505450687374434
Energy: 2.298234235023136
Energy: 3.0899044291814066
Energy: 2.5505450687396287
Energy: 2.2982342350253213
Energy: 2.7298905192388765
Energy: 2.265054365611727
Energy: 2.6036089410423995
Energy: 2.729890519241062
Energy: 2.2637427856055985
Energy: 2.603608941035843
Energy: 2.7298905192388765
Energy: 2.265054365611727
Energy: 2.6036089410402146
Energy: 2.7298905192388765
Energy: 2.7853942607783506
Energy: 2.6030694411211375
Energy: 2.685661432065573
Energy: 2.785394260776165
Energy: 2.6030694411211375
Energy: 2.685661432065573
Energy: 2.78539426077398
Energy: 2.6030694411211375
Energy: 2.6856614320699435
Energy: 2.78539426077398
Energy: 2.691854101685426
Energy: 2.519231946892276
Energy: 2.3527351540734998
Energy: 2.691854101685426
Energy: 2.5192319468966478
Energy: 2.3581912615605147
Energy: 2.6918541016832402
Energy: 2.519231946894462
Energy: 2.3527351540734998
Energy: 2.691854101685426
Energy: 2.289007515790227
Energy: 2.59136819371349
Energy: 2.6582047535624023
Energy: 2.289007515785856
Energy: 2.5913681937156756
Energy: 2.6582047535624023
Energy: 2.289007515785856
Energy: 2.59136819371349
Energy: 2.6582047535624023
Energy: 2.2890075157880414
Energy: 2.7602679451560475
Energy: 2.4856592096090706
Energy: 2.4072340306535396
Energy: 2.7602679451560475
Energy: 2.485659209611256
Energy: 2.407234030655725
Energy: 2.7602679451538616
Energy: 2.485659209611256
Energy: 2.407234030660096
Energy: 2.7602679451560475

minimum gb energy = 1.977453877247362 eV
minimum distance =  2.28876504809549 Angstroms
sigma value = 437


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

Energy: 2.3809150140043913
Energy: 2.844991165527227
Energy: 2.8269321645510725
Energy: 2.3809150140043913
Energy: 2.8449911655280227
Energy: 2.8269321645526646
Energy: 2.3809150140043913
Energy: 2.844991165527227
Energy: 2.8269321645510725
Energy: 2.3809150140043913
Energy: 2.8609382212001817
Energy: 2.14028288962779
Energy: 2.664748226364558
Energy: 2.8609382212009775
Energy: 2.1402828896261976
Energy: 2.664748226364558
Energy: 2.8609382212009775
Energy: 2.1402828896269943
Energy: 2.664748226364558
Energy: 2.860938221201774
Energy: 2.436855868041993
Energy: 2.212373021949074
Energy: 2.365546713365534
Energy: 2.4368558680252734
Energy: 2.212373021949074
Energy: 2.3655467133663297
Energy: 2.4368558680220884
Energy: 2.212373021949074
Energy: 2.365546713365534
Energy: 2.436855868087376
Energy: 2.497553734260056
Energy: 2.6688565568707787
Energy: 2.353628938390429
Energy: 2.497553734260056
Energy: 2.6688565568707787
Energy: 2.353628938380875
Energy: 2.497553734260852
Energy: 2.6688565568707787
Energy: 2.3536289383912252
Energy: 2.497553734260852
Energy: 2.8919239438945743
Energy: 2.2361921452276365
Energy: 2.6353164258143003
Energy: 2.891923943893778
Energy: 2.2361921452276365
Energy: 2.6353164258143003
Energy: 2.8919239438945743
Energy: 2.2361921452276365
Energy: 2.635316425815097
Energy: 2.891923943893778
Energy: 2.7713262152881084
Energy: 2.720733392664401
Energy: 2.2342412836289944
Energy: 2.7713262152865163
Energy: 2.7207333926651973
Energy: 2.2342412836281986
Energy: 2.771326215287312
Energy: 2.720733392664401
Energy: 2.2342412836289944
Energy: 2.7713262152865163
Energy: 2.5309931188378267
Energy: 2.434659684737173
Energy: 2.243870005928496
Energy: 2.5309931188362347
Energy: 2.434659684736377
Energy: 2.243870005928496
Energy: 2.5309931188378267
Energy: 2.434659684736377
Energy: 2.243870005928496
Energy: 2.5309931188362347
Energy: 2.346010205387873
Energy: 2.749654625417229
Energy: 2.4617322185398987
Energy: 2.346010205379911
Energy: 2.749654625417229
Energy: 2.4617322185398987
Energy: 2.3460102053958347
Energy: 2.749654625417229
Energy: 2.4617322185398987
Energy: 2.3460102053862806
Energy: 2.9153776865909333
Energy: 2.7493995549138686
Energy: 2.25653560552157
Energy: 2.915377686591729
Energy: 2.7493995549130728
Energy: 2.256535605522366
Energy: 2.9153776865909333
Energy: 2.7493995549130728
Energy: 2.25653560552157
Energy: 2.915377686591729
Energy: 2.182115647552201
Energy: 2.63127746349862
Energy: 2.660158023868633
Energy: 2.182115647551405
Energy: 2.6312774634994156
Energy: 2.6601580238678366
Energy: 2.1821156475474237
Energy: 2.631277463497824
Energy: 2.660158023868633
Energy: 2.1821156475458316
Energy: 2.301342694012198
Energy: 2.317700698131881
Energy: 2.5917096486427407
Energy: 2.301342694012198
Energy: 2.317700698131881
Energy: 2.591709648647518
Energy: 2.3013426940129933
Energy: 2.3177006981071995
Energy: 2.6220483757937822
Energy: 2.30134269401379
Energy: 2.5672027743921078
Energy: 2.090722809185419
Energy: 2.667714731261014
Energy: 2.5672027743929036
Energy: 2.0907228091901966
Energy: 2.6677147312626066
Energy: 2.5672027743921078
Energy: 2.0907228091862153
Energy: 2.667714731261014
Energy: 2.5672027743921078
Energy: 2.3773946780589292
Energy: 3.0540939540858827
Energy: 2.233532368204254
Energy: 2.3773946780589292
Energy: 3.0540939540858827
Energy: 2.233532368204254
Energy: 2.3773946780589292
Energy: 3.0540939540858827
Energy: 2.233532368204254
Energy: 2.377394678058133
Energy: 2.836592822193272
Energy: 2.093909041116297
Energy: 2.4682908288311523
Energy: 2.836592822194069
Energy: 2.093909041115501
Energy: 2.4682908288303564
Energy: 2.836592822193272
Energy: 2.093909041116297
Energy: 2.4682908288311523
Energy: 2.836592822193272

minimum gb energy = 2.090722809185419 eV
minimum distance =  2.25809687724675 Angstroms
sigma value = 33