Model name: model_name=MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784094648996
mass=63.546
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: 0.015500081443846916
Energy: 0.3224302197293294
Energy: 0.3224302197293294
Energy: 0.015500081443846916
Energy: 0.3224302197293294
Energy: 0.3224302197293294
Energy: 0.015500081443846916
Energy: 0.3224302197293294
Energy: 0.3224302197293294
Energy: 0.015500081443846916
Energy: 0.3190320613647209
Energy: 0.018338564212506223
Energy: 0.31939827220438766
Energy: 0.3190320613647209
Energy: 0.018338564212506223
Energy: 0.31939827220438766
Energy: 0.3190320613647209
Energy: 0.018338564213953083
Energy: 0.31939827220438766
Energy: 0.3190320613647209
Energy: 1.2853429814975181
Energy: 0.015920641211329575
Energy: 0.17658414836858158
Energy: 1.2853429814975181
Energy: 0.015920641211329575
Energy: 0.015920641211329575
Energy: 1.4348402204852337
Energy: 0.015920641211329575
Energy: 0.015920641211329575
Energy: 0.6491352858411601
Energy: 0.3190320613647209
Energy: 0.31939827220438766
Energy: 0.018338564212506223
Energy: 0.3190320613647209
Energy: 0.31939827220438766
Energy: 0.018338564213953083
Energy: 0.3190320613647209
Energy: 0.31939827220438766
Energy: 0.018338564212506223
Energy: 0.3190320613647209
Energy: 0.015500081443846916
Energy: 0.3224302197293294
Energy: 0.3224302197293294
Energy: 0.015500081443846916
Energy: 0.3224302197293294
Energy: 0.3224302197293294
Energy: 0.015500081443846916
Energy: 0.3224302197293294
Energy: 0.3224302197293294
Energy: 0.015500081443846916
Energy: 0.3190320613661678
Energy: 0.018338564212506223
Energy: 0.31939827220438766
Energy: 0.3190320613647209
Energy: 0.018338564212506223
Energy: 0.31939827220438766
Energy: 0.3190320613647209
Energy: 0.018338564213953083
Energy: 0.31939827220438766
Energy: 0.3190320613647209
Energy: 1.0853528193847
Energy: 0.015920641211329575
Energy: 0.658151164861945
Energy: 0.8606645858060266
Energy: 0.015920641211329575
Energy: 0.33298716759124003
Energy: 0.8607245725420605
Energy: 0.015920641212776435
Energy: 0.1765841483671347
Energy: 0.8607273977545555

minimum gb energy = 0.015500081443846916 eV
minimum distance =  2.31319570505899 Angstroms
sigma value = 3


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

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Energy: 1.2020859192581692
Energy: 1.0683490973178067
Energy: 0.9480289109786041
Energy: 1.202085919259587
Energy: 1.0683490973199332
Energy: 0.9480289109782819
Energy: 1.2020859192581692
Energy: 1.0683490973189023
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Energy: 1.3111595429039418
Energy: 0.9041225958285639
Energy: 1.049160657368809
Energy: 1.3111595429018155
Energy: 0.9041225958281773
Energy: 1.049160657368809
Energy: 1.3111595429028462
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Energy: 1.3111595429021374
Energy: 0.9935195718559984
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Energy: 1.1889861798122547
Energy: 0.9935195718563847
Energy: 1.152370095323524
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Energy: 1.2341872202073443
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Energy: 1.0308361717517471
Energy: 1.0682244736825177
Energy: 0.8328381709005754
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Energy: 1.0612206334452328
Energy: 1.08021893315446
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Energy: 1.0802189331558776
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Energy: 1.0612206334455552
Energy: 0.8906009239130926
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Energy: 0.9446047568497783
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Energy: 1.0681367915732467
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Energy: 0.9446047568483605
Energy: 1.0471300253470002
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Energy: 1.0478676707961627
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Energy: 1.0695005799359514
Energy: 1.2999733623939635
Energy: 0.9463784205132216
Energy: 1.0695005799369823
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Energy: 0.9463784205110951
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Energy: 0.9463784205107729
Energy: 1.0695005799366601
Energy: 1.1274695963206904
Energy: 0.9110515693713815
Energy: 0.8361296107900049
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Energy: 0.9110515693735078
Energy: 0.8361296107903915
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Energy: 0.9110515693713815
Energy: 0.8361296107914223
Energy: 1.1274695963213992
Energy: 0.7952606658204558
Energy: 1.3061828354208431
Energy: 1.1964228867612592
Energy: 0.7952606658211647
Energy: 1.3061828354194256
Energy: 1.196422886758746
Energy: 0.7952606658204558
Energy: 1.3061828354208431
Energy: 1.1964228867598417
Energy: 0.7952606658211647
Energy: 1.071479895121956
Energy: 0.8333911649144149
Energy: 1.0689272554125295
Energy: 1.0714798951226647
Energy: 0.833391164913706
Energy: 1.068927255412916
Energy: 1.071479895121247
Energy: 0.8333911649144149
Energy: 1.068927255414656
Energy: 1.0714798951222781
Energy: 0.9116285586356825
Energy: 1.3687263158750156
Energy: 1.0274722250301382
Energy: 0.9116285586378087
Energy: 1.3687263158743066
Energy: 1.0274722250287207
Energy: 0.9116285586360688
Energy: 1.3687263158746288
Energy: 1.0274722250297517
Energy: 0.9116285586378087
Energy: 0.8803740998447892
Energy: 1.058956280270128
Energy: 0.9027129859165984
Energy: 0.880374099840923
Energy: 1.0589562802566606
Energy: 0.9027129859155675
Energy: 0.8803740998416317
Energy: 1.0589562802559518
Energy: 0.9027129859165984
Energy: 0.880374099832095
Energy: 0.9129187840109073
Energy: 1.2020859192584916
Energy: 1.0683490973259901
Energy: 0.9129187840105206
Energy: 1.202085919259587
Energy: 1.0683490973256038
Energy: 0.9129187840109073
Energy: 1.2020859192584916
Energy: 1.068349097324186
Energy: 0.9129187840105206
Energy: 1.3111595429028462
Energy: 0.9041225958306904
Energy: 1.0491606573684868
Energy: 1.3111595429021374
Energy: 0.9041225958299816
Energy: 1.049160657368809
Energy: 1.311159542903233
Energy: 0.9041225958303037
Energy: 1.0491606573699046
Energy: 1.311159542902524
Energy: 1.0029615364519062
Energy: 1.1523700953228153
Energy: 1.1889861798111592
Energy: 1.002961536451584
Energy: 1.152370095323524
Energy: 1.1889861798118682
Energy: 1.0029615364511972
Energy: 1.1523700953228153
Energy: 1.1889861798101282
Energy: 1.0029615364519062
Energy: 1.0667733273004483
Energy: 1.2068152505932626
Energy: 0.8323605048362394
Energy: 1.0667733273014792
Energy: 1.2068152505939713
Energy: 0.8323605048362394
Energy: 1.0667733272997393
Energy: 1.2068152505929404
Energy: 0.8323605048359172
Energy: 1.066773327298644

minimum gb energy = 0.7952606658204558 eV
minimum distance =  2.27582919887234 Angstroms
sigma value = 75


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

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Energy: 0.9200997159329151
Energy: 0.9139299156594507
Energy: 1.0122273876272814
Energy: 0.9200997159346442
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minimum gb energy = 0.9023688028637123 eV
minimum distance =  2.26558031789411 Angstroms
sigma value = 105


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

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Energy: 1.0044582895516643
Energy: 1.0109300486561408
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Energy: 1.0044582895534377
Energy: 1.010800748250119
Energy: 1.0282298703894253
Energy: 1.165807365260179
Energy: 1.0716853651012843
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Energy: 1.0716853651016744
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Energy: 1.1292457450424735
Energy: 1.2463364976119076
Energy: 1.1029672015720378
Energy: 1.0660393836400843
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Energy: 1.102967201572818
Energy: 1.0181297618502096
Energy: 1.2463364976113045
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Energy: 1.066039383641822
Energy: 1.2011395884902456
Energy: 1.0439422691162679
Energy: 0.9581908437201048
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Energy: 1.0618326089563879
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Energy: 1.1304021742301247
Energy: 0.9795102090515105
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Energy: 0.9776931596471731
Energy: 1.128700635006238
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Energy: 1.2433717280077494
Energy: 1.07803087697065
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Energy: 1.0483492146300544
Energy: 1.0780308769704725
Energy: 1.0379930553892553
Energy: 1.0370721339791917
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Energy: 1.0629969229154486
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Energy: 1.147906248601545
Energy: 1.0962203966305966
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Energy: 1.138525545138082
Energy: 1.09622039663159
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Energy: 1.138525545138082
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Energy: 1.094651001174813
Energy: 1.1385255451384722
Energy: 1.0962203966304191
Energy: 1.1127554651164353
Energy: 1.0515992529252849
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Energy: 1.0936242182234508
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Energy: 1.1471171449514745
Energy: 1.0089416553816803
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Energy: 1.0089416553820707
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Energy: 1.1471171449512618
Energy: 1.0089416553816803
Energy: 1.1512315967862385
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Energy: 1.0564115823486568
Energy: 1.1027137670575742
Energy: 1.1016595922717183
Energy: 1.0564115823484441
Energy: 1.1027137670567937
Energy: 1.1016595922711505
Energy: 1.0564115823472737
Energy: 1.1027137670560132
Energy: 1.101659592271931
Energy: 1.0478985803935408
Energy: 1.0378297112883244
Energy: 1.0381683021569332
Energy: 1.0478985803929732
Energy: 1.0378297112859833
Energy: 1.0381683021553723
Energy: 1.0478985803939311
Energy: 1.0378297112881472
Energy: 1.038168302157146
Energy: 1.0478985803947114
Energy: 1.1091784621055794
Energy: 1.0824492128390732
Energy: 1.048969736000045
Energy: 1.109178462106537
Energy: 1.0881671045010817
Energy: 1.0489697359988746
Energy: 1.109178462106537
Energy: 1.0824492128384702
Energy: 1.0489697359986971
Energy: 1.109178462104976
Energy: 1.2099939110056206
Energy: 1.1316088975317014
Energy: 1.1907240497204168
Energy: 1.2099939110044498
Energy: 1.053794456609946
Energy: 1.1907240497215874
Energy: 1.2099939110052302
Energy: 1.1316088975326946
Energy: 1.1907240497209841
Energy: 1.2099939110050175
Energy: 1.066027989245894
Energy: 1.0475223755837195
Energy: 0.9768588562711312
Energy: 1.066027989246284
Energy: 1.0475223755858831
Energy: 0.9768588562713441
Energy: 1.0660279892466744
Energy: 1.047522375591736
Energy: 0.9768588562713441
Energy: 1.0660279892470645
Energy: 1.0978271964393969
Energy: 1.1273969432852482
Energy: 1.162957528025643
Energy: 1.0978271964405675
Energy: 1.128116085656017
Energy: 1.16295752802543
Energy: 1.0978271964400002
Energy: 1.127396943284645
Energy: 1.162957528025643
Energy: 1.0978271964397872
Energy: 1.2363952097533677
Energy: 1.0669229958065307
Energy: 1.0778518823173422
Energy: 1.2363952097531903
Energy: 1.084323961695821
Energy: 1.077851882317945
Energy: 1.2363952097537576
Energy: 1.0669229958061406
Energy: 1.077851882317945
Energy: 1.2363952097533677
Energy: 1.056783289955432
Energy: 1.010006151665622
Energy: 1.1341280361801012
Energy: 1.0567832899556449
Energy: 1.010008603480153
Energy: 1.1341280361785402
Energy: 1.056783289954474
Energy: 1.0100061516667926
Energy: 1.1341280361785402
Energy: 1.0567832899552545

minimum gb energy = 0.9581908437199276 eV
minimum distance =  2.25369725784263 Angstroms
sigma value = 165


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

Energy: 0.9453652360429196
Energy: 1.0081946736686254
Energy: 1.0100496105851926
Energy: 0.9121845779073309
Energy: 1.0081946736686254
Energy: 1.0100496105858625
Energy: 0.9453652360429196
Energy: 1.0081946736686254
Energy: 1.0100496105851926
Energy: 0.9121845779073309
Energy: 1.0654789870149557
Energy: 1.0725200152914667
Energy: 1.071048825305893
Energy: 1.065478987014286
Energy: 1.0725200152921364
Energy: 1.0710488253320138
Energy: 1.065478987014286
Energy: 1.0725200152914667
Energy: 1.071048825115771
Energy: 1.0654789870149557
Energy: 0.9909901792857178
Energy: 1.1758244233417647
Energy: 1.086994533264029
Energy: 0.9909901792870575
Energy: 1.175824423341095
Energy: 0.9091083005450857
Energy: 0.9909901792857178
Energy: 1.1758244233397555
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Energy: 0.9909901792863877
Energy: 1.0646389205525724
Energy: 1.1313102301818736
Energy: 0.9219472231230856
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Energy: 1.0646389205519027
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Energy: 0.9219472231237552
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Energy: 1.057471106381475
Energy: 1.039063436430575
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Energy: 1.0574711063828144
Energy: 1.0390634364312448
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Energy: 1.0574711063834843
Energy: 0.9085171540174118
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Energy: 1.0761805413935046
Energy: 0.908517154016742
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Energy: 1.070993860682424
Energy: 1.1023730582053057
Energy: 1.0712789972589567
Energy: 1.070993860683094
Energy: 1.1023730582053057
Energy: 1.0712789972582868
Energy: 1.070993860682424
Energy: 1.102373058206645
Energy: 1.0266374177204098
Energy: 1.0746120286313194
Energy: 1.0846063433579731
Energy: 1.0266374177210797
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Energy: 1.08458172641658
Energy: 1.0266374177197402
Energy: 1.0746120286319893
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Energy: 1.0266374177197402
Energy: 0.9564807984097263
Energy: 1.0737348670474052
Energy: 1.2114745518979033
Energy: 0.9215185454997791
Energy: 1.073734867048075
Energy: 1.2114745518979033
Energy: 0.9564807984137449
Energy: 1.073734867048075
Energy: 1.2114745518972339
Energy: 0.9215185454971001
Energy: 1.0588008076640234
Energy: 1.0143720034587282
Energy: 1.0859798241964915
Energy: 1.1531878833492561
Energy: 1.0143720034587282
Energy: 1.046526539838465
Energy: 1.0588008076646929
Energy: 1.0143720034600676
Energy: 1.085979824195822
Energy: 1.1531878833492561
Energy: 1.0909714047186427
Energy: 0.922071572887587
Energy: 1.1464264798313497
Energy: 1.0909714047213217
Energy: 0.9220715728869172
Energy: 1.1464264798320196
Energy: 1.0909714047193124
Energy: 0.9220715728862475
Energy: 1.1464264798313497
Energy: 1.090971404720652
Energy: 1.030053772420406
Energy: 1.0402749680499987
Energy: 1.135554625947433
Energy: 1.030053772420406
Energy: 1.0402749680499987
Energy: 1.135554625947433
Energy: 1.030053772420406
Energy: 1.0402749680486594
Energy: 1.1355546259481026
Energy: 1.030053772420406
Energy: 1.0231668831868816
Energy: 1.0127294646847433
Energy: 0.9085125730174632
Energy: 1.0231668831882215
Energy: 1.0127294646834035
Energy: 0.908512573018133
Energy: 1.0231668831882215
Energy: 1.0127294646847433
Energy: 0.908512573018133
Energy: 1.0231668831875516
Energy: 0.9121845779086702
Energy: 1.0081946736686254
Energy: 1.010049610586532
Energy: 0.9121845779080007
Energy: 1.0081946736679555
Energy: 1.010049610586532
Energy: 0.9121845779086702
Energy: 1.0081946736679555
Energy: 1.0100496105851926
Energy: 0.9121845779080007

minimum gb energy = 0.9085125730174632 eV
minimum distance =  2.34572133727647 Angstroms
sigma value = 41


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

Energy: 0.9131511296771512
Energy: 1.0121766855862087
Energy: 1.027927955373349
Energy: 0.8846987157780044
Energy: 1.01217668558361
Energy: 1.0279279553707503
Energy: 0.9131511296797498
Energy: 1.0121766855862087
Energy: 1.027927955373349
Energy: 0.8846987157780044
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Energy: 0.8970156982888076
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Energy: 0.9339758921738346
Energy: 0.901964111890788
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Energy: 0.839001638493897
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Energy: 1.1543019501730016
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Energy: 1.0459738404717867
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Energy: 0.8763681839335837
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Energy: 0.9693065619141614
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Energy: 0.8435101993170809
Energy: 0.8039861203229705
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Energy: 0.9184759346012501
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Energy: 0.8906702678050044
Energy: 1.0745049994466511
Energy: 0.9123823531066921
Energy: 1.0099151048116681
Energy: 1.0745049994492495
Energy: 0.9123823531092907
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Energy: 0.9884219615761378
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Energy: 0.9980110316691536
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Energy: 0.8857204981291597
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Energy: 0.8924286533718973
Energy: 0.9721093574464353
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Energy: 0.9816731714197114
Energy: 0.9452680492803557
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Energy: 0.9721093574464353
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Energy: 0.8110314807048813
Energy: 0.8041001925950836
Energy: 0.8123397936150378
Energy: 0.8110314807074799
Energy: 0.807144813727969
Energy: 0.8126420607733209
Energy: 0.8110314807074799
Energy: 0.8041001925950836
Energy: 0.8123397936176365
Energy: 0.8110314807100785
Energy: 0.9215963560370042
Energy: 0.8131630828405781
Energy: 0.8131186465094106
Energy: 0.9215963560370042
Energy: 0.813156224913627
Energy: 0.8131186465094106
Energy: 0.9215963560344056
Energy: 0.8131630828379796
Energy: 0.8131186465120093
Energy: 0.9215963560370042
Energy: 1.1531260776142929
Energy: 0.8388378372233879
Energy: 0.9873541970426822
Energy: 1.1531260776142929
Energy: 0.8385280026621096
Energy: 0.9873541970426822
Energy: 1.1531260776168915
Energy: 0.8388378372259865
Energy: 0.9873541970400836
Energy: 1.1531260776142929
Energy: 1.031452566462425
Energy: 1.0457365418823295
Energy: 0.7924132966845507
Energy: 1.0314524226424875
Energy: 1.0068900075352507
Energy: 0.7924132966819522
Energy: 1.0314522068878944
Energy: 0.966481293696338
Energy: 0.7924132966819522
Energy: 1.031452136251989

minimum gb energy = 0.7784423137967348 eV
minimum distance =  2.24410598239141 Angstroms
sigma value = 185


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

Energy: 0.37494741484686883
Energy: 0.39027247395746706
Energy: 0.9818199563327963
Energy: 0.3020480859562247
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Energy: 0.3020167842986783
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Energy: 0.3680573501529167
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Energy: 0.4567965705460684
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Energy: 0.39098718051969966
Energy: 0.36819596423577583
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Energy: 0.36819596423546735
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Energy: 0.3909871805190827
Energy: 0.3681959642360843
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Energy: 0.39098718051969966
Energy: 0.458804647167012
Energy: 0.30196000109233095
Energy: 0.4086140220118519
Energy: 0.458804647168246
Energy: 0.3019600010926395
Energy: 0.4086140220093841
Energy: 0.45880464716762903
Energy: 0.3019600010914336
Energy: 0.4086140220075332
Energy: 0.45880464716639513
Energy: 0.34282099028215335
Energy: 0.37615825961988303
Energy: 0.39001676394318474
Energy: 0.3428209902830788
Energy: 0.37615825961772376
Energy: 0.3900167639444186
Energy: 0.3428209902840042
Energy: 0.3761582596186492
Energy: 0.3900167639441101
Energy: 0.3428209902827703
Energy: 0.302058087291649
Energy: 0.30262698616245215
Energy: 0.38971400540088225
Energy: 0.30205808729103206
Energy: 0.3026269861627606
Energy: 0.38971400540149925
Energy: 0.3020580872919575
Energy: 0.30262698616121825
Energy: 0.3897140054005738
Energy: 0.30205808729411676
Energy: 0.37687910533679037
Energy: 0.42221858422905456
Energy: 0.4079650300850177
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Energy: 0.4222185842296715
Energy: 0.4079650300856346
Energy: 0.37687910533771574
Energy: 0.4222185842315223
Energy: 0.40796503008470925
Energy: 0.3768791053370988

minimum gb energy = 0.3019600010914336 eV
minimum distance =  2.40344962659808 Angstroms
sigma value = 33


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

Energy: 0.7587060654081764
Energy: 0.8546541386598657
Energy: 0.8326478725244775
Energy: 0.7265444584969619
Energy: 0.8546541386598657
Energy: 0.8326478725244775
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Energy: 0.9423845323827279
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Energy: 0.9423845323810344
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Energy: 0.8987451004385776
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Energy: 0.9934626961028036
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Energy: 0.718792775875709
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Energy: 0.9504401221194486
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Energy: 1.0093591970628961
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Energy: 1.0225672515754654
Energy: 0.6932220742678238
Energy: 0.8123987263862186
Energy: 1.0225672515754654
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Energy: 0.7194037159453411

minimum gb energy = 0.6878878788556939 eV
minimum distance =  2.26882887388873 Angstroms
sigma value = 219


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

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Energy: 1.2146870414603361
Energy: 1.1183851517467185
Energy: 1.0566796064653767
Energy: 1.2146870414603361
Energy: 1.1183851517467185

minimum gb energy = 0.8530193083850511 eV
minimum distance =  2.32420958215298 Angstroms
sigma value = 15


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

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Energy: 1.3003297210023026
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minimum gb energy = 0.9967908309490918 eV
minimum distance =  2.26699905325372 Angstroms
sigma value = 293


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

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Energy: 1.0630937367743019
Energy: 1.2541280447977665
Energy: 1.0850225640122022
Energy: 1.0630937367737956
Energy: 1.2541280447975134
Energy: 1.0850225640122022
Energy: 1.0630937367743019
Energy: 1.0184801686734632
Energy: 1.0521204028011173
Energy: 1.0844668160036472
Energy: 1.018480168674476
Energy: 1.0521204027993685
Energy: 1.0844668160036472
Energy: 1.018480168673187
Energy: 1.0521204027980795
Energy: 1.084466816003394
Energy: 1.018480168674476
Energy: 1.074624456487885
Energy: 1.1008317720903704
Energy: 1.1274427122664183
Energy: 1.074624456487885
Energy: 1.1008317720880918
Energy: 1.127442712266165
Energy: 1.074624456487885
Energy: 1.1008317720885983
Energy: 1.1274427122664183
Energy: 1.074624456487885
Energy: 1.145142475195356
Energy: 1.2787408242384646
Energy: 1.2783919015571539
Energy: 1.145142475195103
Energy: 1.2787408242389708
Energy: 1.278391901555382
Energy: 1.145142475195103
Energy: 1.2787408242384646
Energy: 1.2783919015561414
Energy: 1.145142475195103
Energy: 1.0749028672280316
Energy: 1.127406902969978
Energy: 1.1010419910766693
Energy: 1.0749028672275254
Energy: 1.1274069029702312
Energy: 1.1010419910751503
Energy: 1.0749028672277785
Energy: 1.1274069029702312
Energy: 1.1010419910769225
Energy: 1.0749028672280316
Energy: 1.018398936710872
Energy: 1.084474327185193
Energy: 1.052149512302586
Energy: 1.0183989367100896
Energy: 1.084474327185193
Energy: 1.0521495123023097
Energy: 1.0183989367100896
Energy: 1.084474327185193
Energy: 1.052149512302586
Energy: 1.018398936710596
Energy: 1.0633770957311228
Energy: 1.0853659987536561
Energy: 1.2539397065241642
Energy: 1.0633770957321353
Energy: 1.0853659987536561
Energy: 1.2539397065241642
Energy: 1.0633770957321353
Energy: 1.085365998753403
Energy: 1.2539397065241642
Energy: 1.0633770957321353
Energy: 1.1550487887166334
Energy: 1.1290506611021482
Energy: 1.3059934604193018
Energy: 1.1550487887161272
Energy: 1.1290506611021482
Energy: 1.3059934604193018
Energy: 1.1550487887158738
Energy: 1.1290506611018951
Energy: 1.3059934604187955
Energy: 1.155048788717393
Energy: 1.2896050164312785
Energy: 1.1024300243700378
Energy: 1.138298024015456
Energy: 1.2896050164300126
Energy: 1.1024300243700378
Energy: 1.138298024015709
Energy: 1.2896050164302657
Energy: 1.1024300243692786
Energy: 1.1382980240159624
Energy: 1.2896050164302657
Energy: 1.1259843146320654
Energy: 1.2753073907822694
Energy: 1.3847797767940335
Energy: 1.1259843146323183
Energy: 1.2753073907817631
Energy: 1.384779776795046
Energy: 1.1259843146323183
Energy: 1.2753073907817631
Energy: 1.3847797767945398
Energy: 1.1259843146323183
Energy: 1.080271608940138
Energy: 0.9952331661883818
Energy: 0.9938451892841101
Energy: 1.0802716089398852
Energy: 0.9952331661886348
Energy: 0.9938451892848698
Energy: 1.0802716089383662
Energy: 0.9952331661878755
Energy: 0.9938451892805663
Energy: 1.0802716089406446
Energy: 1.1258284317633704
Energy: 1.3846407371791678
Energy: 1.2754877748411673
Energy: 1.1258284317633704
Energy: 1.3846407371791678
Energy: 1.2754877748409141
Energy: 1.1258284317618517
Energy: 1.3846407371789144
Energy: 1.2754877748401547
Energy: 1.1258284317615985
Energy: 1.289755208749297
Energy: 1.1387218152287673
Energy: 1.102537782618528
Energy: 1.2897552087490438
Energy: 1.1387218152287673
Energy: 1.102537782618528
Energy: 1.289755208749297
Energy: 1.1387218152295269
Energy: 1.102537782618528
Energy: 1.2897552087487907
Energy: 1.1555247749469029
Energy: 1.3060514743422647
Energy: 1.1298200243835672
Energy: 1.1555247749474091
Energy: 1.3060514743420115
Energy: 1.129820024383314
Energy: 1.1555247749448774
Energy: 1.3060514743420115
Energy: 1.1298200243828078
Energy: 1.1555247749474091
Energy: 1.063093736774808
Energy: 1.2541280447975134
Energy: 1.0850225640124556
Energy: 1.063093736774808
Energy: 1.2541280447975134
Energy: 1.0850225640127085
Energy: 1.0630937367753144
Energy: 1.25412804479726
Energy: 1.0850225640127085
Energy: 1.0630937367743019

minimum gb energy = 0.9938451892805663 eV
minimum distance =  2.26717148884888 Angstroms
sigma value = 293


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

Energy: 0.945530364553118
Energy: 0.9459746914397609
Energy: 0.9459411529735483
Energy: 0.9455303645526606
Energy: 0.9459746914402183
Energy: 0.9459411529730907
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.9459411529735483
Energy: 0.9455303645526606
Energy: 1.1269826898440467
Energy: 0.9464213130026425
Energy: 1.129289083956704
Energy: 1.1269826898445041
Energy: 0.9464213130031002
Energy: 1.1292890839562466
Energy: 1.1269826898431314
Energy: 0.9464213130035576
Energy: 1.129289083956704
Energy: 1.1269826898435888
Energy: 0.9442636373879884
Energy: 0.9440339721511587
Energy: 1.161218267003988
Energy: 0.9442636373879884
Energy: 0.9440339721520739
Energy: 1.1612182670035303
Energy: 0.9442636373879884
Energy: 0.9440339721507014
Energy: 1.1612182670044453
Energy: 0.9442636373879884
Energy: 1.1617554852272298
Energy: 0.9439286726985169
Energy: 0.9435398963023847
Energy: 1.1617554852281446
Energy: 0.9439286726985169
Energy: 0.9435398963019271
Energy: 1.1617554852281446
Energy: 0.9439286726976017
Energy: 0.9435398963028422
Energy: 1.1617554852276872
Energy: 1.1299662389190634
Energy: 0.9459349021668614
Energy: 1.1271522714163467
Energy: 1.129966238919521
Energy: 0.9459349021668614
Energy: 1.1271522714154316
Energy: 1.1299662389190634
Energy: 0.9459349021668614
Energy: 1.1271522714163467
Energy: 1.129966238919521
Energy: 0.9459746914402183
Energy: 0.9459411529744634
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.9459411529740058
Energy: 0.945530364553118
Energy: 0.9459746914397609
Energy: 0.9459411529735483
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.9464213130026425
Energy: 1.129289083956704
Energy: 1.1269826898426738
Energy: 0.946421313002185
Energy: 1.1292890839571617
Energy: 1.1269826898431314
Energy: 0.946421313002185
Energy: 1.129289083956704
Energy: 1.1269826898449615
Energy: 0.946421313002185
Energy: 0.9440339721502436
Energy: 1.1612182670030728
Energy: 0.9442636373879884
Energy: 0.9440339721520739
Energy: 1.161218267003988
Energy: 0.9442636373879884
Energy: 0.9440339721516163
Energy: 1.161218267003988
Energy: 0.9442636373879884
Energy: 0.9440339721507014
Energy: 0.9439286726985169
Energy: 0.9435398963014695
Energy: 1.1617554852276872
Energy: 0.9439286726976017
Energy: 0.9435398963032997
Energy: 1.1617554852281446
Energy: 0.9439286726980594
Energy: 0.9435398963019271
Energy: 1.1617554852281446
Energy: 0.9439286726980594
Energy: 0.945934902167319
Energy: 1.127152271415889
Energy: 1.1299662389190634
Energy: 0.945934902167319
Energy: 1.1271522714163467
Energy: 1.129966238919521
Energy: 0.945934902167319
Energy: 1.1271522714154316
Energy: 1.1299662389190634
Energy: 0.945934902167319
Energy: 0.9459411529726333
Energy: 0.945530364553118
Energy: 0.9459746914397609
Energy: 0.9459411529735483
Energy: 0.945530364553118
Energy: 0.9459746914397609
Energy: 0.9459411529740058
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.9459411529740058
Energy: 1.129289083956704
Energy: 1.1269826898431314
Energy: 0.9464213130026425
Energy: 1.129289083956704
Energy: 1.1269826898435888
Energy: 0.946421313002185
Energy: 1.129289083956704
Energy: 1.1269826898440467
Energy: 0.9464213130017275
Energy: 1.129289083956704
Energy: 1.1612182670049032
Energy: 0.9442636373879884
Energy: 0.9440339721497863
Energy: 1.1612182670035303
Energy: 0.9442636373879884
Energy: 0.9440339721516163
Energy: 1.161218267003988
Energy: 0.9442636373879884
Energy: 0.9440339721502436
Energy: 1.1612182670044453
Energy: 0.943539896301012
Energy: 1.1617554852286023
Energy: 0.9439286726976017
Energy: 0.9435398963014695
Energy: 1.1617554852286023
Energy: 0.9439286726989743
Energy: 0.9435398963028422
Energy: 1.1617554852281446
Energy: 0.9439286726985169
Energy: 0.9435398963023847
Energy: 1.127152271415889
Energy: 1.129966238919521
Energy: 0.9459349021668614
Energy: 1.127152271415889
Energy: 1.1299662389190634
Energy: 0.945934902167319
Energy: 1.1271522714163467
Energy: 1.129966238919521
Energy: 0.9459349021668614
Energy: 1.1271522714154316
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.9459411529730907
Energy: 0.9455303645526606
Energy: 0.9459746914397609
Energy: 0.9459411529730907
Energy: 0.945530364553118
Energy: 0.9459746914397609
Energy: 0.9459411529740058
Energy: 0.945530364553118
Energy: 1.1269826898440467
Energy: 0.946421313002185
Energy: 1.129289083956704
Energy: 1.1269826898435888
Energy: 0.9464213130026425
Energy: 1.129289083956704
Energy: 1.1269826898431314
Energy: 0.9464213130026425
Energy: 1.129289083956704
Energy: 1.1269826898435888
Energy: 0.9442636373879884
Energy: 0.9440339721502436
Energy: 1.161218267003988
Energy: 0.9442636373879884
Energy: 0.9440339721520739
Energy: 1.1612182670035303
Energy: 0.9442636373879884
Energy: 0.9440339721516163
Energy: 1.161218267003988
Energy: 0.9442636373884459
Energy: 1.1617554852286023
Energy: 0.9439286726985169
Energy: 0.9435398963032997
Energy: 1.1617554852281446
Energy: 0.9439286726976017
Energy: 0.9435398963014695
Energy: 1.1617554852276872
Energy: 0.9439286726989743
Energy: 0.9435398963028422
Energy: 1.1617554852276872
Energy: 1.1299662389190634
Energy: 0.9459349021668614
Energy: 1.1271522714163467
Energy: 1.129966238919521
Energy: 0.9459349021668614
Energy: 1.127152271415889
Energy: 1.1299662389190634
Energy: 0.9459349021668614
Energy: 1.1271522714163467
Energy: 1.129966238919521
Energy: 0.9459746914402183
Energy: 0.9459411529730907
Energy: 0.945530364553118
Energy: 0.9459746914397609
Energy: 0.9459411529744634
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.9459411529712606
Energy: 0.945530364553118
Energy: 0.9459746914402183
Energy: 0.946421313002185
Energy: 1.129289083956704
Energy: 1.1269826898435888
Energy: 0.946421313002185
Energy: 1.129289083956704
Energy: 1.1269826898431314
Energy: 0.9464213130026425
Energy: 1.129289083956704
Energy: 1.1269826898435888
Energy: 0.946421313002185

minimum gb energy = 0.943539896301012 eV
minimum distance =  2.33637747328659 Angstroms
sigma value = 15


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

Energy: 1.0417108083190156
Energy: 1.2070636842250506
Energy: 1.1951220065569175
Energy: 1.0076599467701406
Energy: 1.2070636842333466
Energy: 1.1951220065506951
Energy: 1.0417108083231637
Energy: 1.2070636842291984
Energy: 1.1951220065444732
Energy: 1.0076599467701406
Energy: 1.0123914453529144
Energy: 1.058658217969732
Energy: 1.1858751876897313
Energy: 1.0123914453342484
Energy: 1.058658217969732
Energy: 1.1858751876897313
Energy: 1.0123914453425444
Energy: 1.058658217971806
Energy: 1.1858751876876574
Energy: 1.0123914453321743
Energy: 1.2109534730264313
Energy: 1.027938136444071
Energy: 1.284466512013305
Energy: 1.2109534730243574
Energy: 1.027938136444071
Energy: 1.284466512013305
Energy: 1.2109534730243574
Energy: 1.0279381364461446
Energy: 1.2844665120153789
Energy: 1.2109534730243574
Energy: 1.0634499257448444
Energy: 1.0304460370451411
Energy: 0.9903506110569734
Energy: 1.0634499257448444
Energy: 1.0304460370451411
Energy: 0.9903506110590474
Energy: 1.0634499257448444
Energy: 1.0304460370451411
Energy: 0.9903506110569734
Energy: 1.0634499257469185
Energy: 1.1467160673738275
Energy: 1.0546891146107265
Energy: 1.0813097441174317
Energy: 1.1467160673738275
Energy: 1.05468911460869
Energy: 1.0813097441174317
Energy: 1.1467160673738275
Energy: 1.0546891146107265
Energy: 1.0813097441153579
Energy: 1.1467160673759016
Energy: 1.0442000015415605
Energy: 1.2652329694584166
Energy: 1.0080224301881222
Energy: 1.0442000015436346
Energy: 1.2652329694604907
Energy: 1.0080224301881222
Energy: 1.0442000015436346
Energy: 1.2652329694584166
Energy: 1.0080224301881222
Energy: 1.0442000015436346
Energy: 1.0323844405696738
Energy: 1.082827555065152
Energy: 1.0866741778704108
Energy: 1.0327574322079989
Energy: 1.082827555065152
Energy: 1.0866741778683366
Energy: 1.0323844405696738
Energy: 1.082827555065152
Energy: 1.0866741778683366
Energy: 1.032757432205925
Energy: 1.0177387406361094
Energy: 1.2116541437501835
Energy: 1.178769280077799
Energy: 1.0177387406361094
Energy: 1.2116541437481099
Energy: 1.178769280075725
Energy: 1.0177387406381833
Energy: 1.2116541437501835
Energy: 1.1787692800736511
Energy: 1.0177387406381833
Energy: 1.33107447660583
Energy: 1.0237088234350245
Energy: 1.0209490774999481
Energy: 1.33107447660583
Energy: 1.0209560951553556
Energy: 1.0192766966494737
Energy: 1.3310744766037559
Energy: 1.023708823459875
Energy: 1.02094907750617
Energy: 1.3310744766037559
Energy: 1.015544029083364
Energy: 1.2470542928473751
Energy: 1.2109081769567267
Energy: 1.015490006542963
Energy: 1.2470542928473751
Energy: 1.2090116395105752
Energy: 1.015544029083364
Energy: 1.2470542928494492
Energy: 1.2109081769588008
Energy: 1.015490006542963
Energy: 1.0511716880540174
Energy: 1.0312713406639735
Energy: 1.0678043678443971
Energy: 1.051171688056091
Energy: 1.0312713406639735
Energy: 1.0678043678443971
Energy: 1.0511716880540174
Energy: 1.0312713406639735
Energy: 1.0678043678443971
Energy: 1.051171688056091
Energy: 1.0879129130183351
Energy: 1.0025313350630936
Energy: 1.172821425592339
Energy: 1.0879129130204093
Energy: 1.0009604215324712
Energy: 1.1728214255944127
Energy: 1.0879129130183351
Energy: 1.0025313350630936
Energy: 1.172821425592339
Energy: 1.0879129130183351
Energy: 1.198844103970294
Energy: 0.9902879567683235
Energy: 1.0706072358713083
Energy: 1.198844103970294
Energy: 0.9902879567662495
Energy: 1.0706072358692345
Energy: 1.198844103970294
Energy: 0.9902879567703976
Energy: 1.0706072358713083
Energy: 1.198844103970294
Energy: 1.0242347848937858
Energy: 1.06014135004572
Energy: 1.3549682846917903
Energy: 1.0242347848937858
Energy: 1.06014135004572
Energy: 1.3549682846917903
Energy: 1.0242347848937858
Energy: 1.06014135004572
Energy: 1.3549682846897162
Energy: 1.02423478489586
Energy: 1.1661931337352336
Energy: 1.2853472897593157
Energy: 1.0174020300492972
Energy: 1.1661931337331595
Energy: 1.2853472897593157
Energy: 1.017151339157171
Energy: 1.1661931337352336
Energy: 1.2853472897593157
Energy: 1.0174020300492972
Energy: 1.1661931337352336
Energy: 1.0024514748885185
Energy: 1.1391981135881128
Energy: 1.157769441492046
Energy: 1.0024514748885185
Energy: 1.1391981135881128
Energy: 1.1577694414941202
Energy: 1.0024514748864444
Energy: 1.139198113590187
Energy: 1.157769441492046
Energy: 1.0024514748885185
Energy: 1.0298138678291222
Energy: 1.2554967609643917
Energy: 1.1635352069830314
Energy: 1.0125089111987
Energy: 1.2554967609643917
Energy: 1.1635352069830314
Energy: 1.0298138678270483
Energy: 1.2554967609643917
Energy: 1.1635352069809572
Energy: 1.012508911196626
Energy: 1.152522535001342
Energy: 1.0586466158179209
Energy: 1.1902464597854894
Energy: 1.1525225350262298
Energy: 1.058646615819995
Energy: 1.1902464597854894
Energy: 1.1525225350427843
Energy: 1.058646615819995
Energy: 1.1902464597854894
Energy: 1.1525225350075639
Energy: 1.0162803574891002
Energy: 1.1183177723694182
Energy: 1.118266264097965
Energy: 1.0162803574891002
Energy: 1.1183177723694182
Energy: 1.1182662640958911
Energy: 1.0162803574891002
Energy: 1.1183177723673445
Energy: 1.118266264097965
Energy: 1.0162803574891002
Energy: 1.1656420410021806
Energy: 1.017300800149715
Energy: 1.0405499050831493
Energy: 1.1656420410001065
Energy: 1.017300800147641
Energy: 1.0405499050810751
Energy: 1.1656420410021806
Energy: 1.017300800149715
Energy: 1.0405499050810751
Energy: 1.1656420410021806
Energy: 1.0495680754567296
Energy: 1.0518898853346996
Energy: 1.101202645888999
Energy: 1.0495680754588035
Energy: 1.0518898853326255
Energy: 1.101202645888999
Energy: 1.0495680754567296
Energy: 1.0518898853326255
Energy: 1.1012026458910729
Energy: 1.0495680754567296
Energy: 1.331172579926033
Energy: 1.3086368633053147
Energy: 1.0016187541392105
Energy: 1.331172579926033
Energy: 1.3086368633073888
Energy: 1.0016187541392105
Energy: 1.331172579926033
Energy: 1.3086368633073888
Energy: 1.0016187541412847
Energy: 1.331172579928107
Energy: 1.0349238142126704
Energy: 1.0378666187664296
Energy: 1.0874676700263906
Energy: 1.0356825691004468
Energy: 1.0375676286763287
Energy: 1.0874676700367605
Energy: 1.0349238142147443
Energy: 1.037866618764356
Energy: 1.0874676700243164
Energy: 1.0356825691004468
Energy: 1.006337588696187
Energy: 1.178903375355726
Energy: 1.0529431991561806
Energy: 1.006337588694113
Energy: 1.178903375355726
Energy: 1.0529431991561806
Energy: 1.006337588698261
Energy: 1.178903375355726
Energy: 1.0529431991561806
Energy: 1.006337588696187
Energy: 1.0899412603267653
Energy: 1.0494274788083366
Energy: 1.061523632479177
Energy: 1.0899412603288394
Energy: 1.0494274788104108
Energy: 1.061523632479177
Energy: 1.0899412603267653
Energy: 1.0494274788104108
Energy: 1.061523632479177
Energy: 1.0899412603267653
Energy: 1.0162328614945613
Energy: 1.2583386670951533
Energy: 1.0882302196795477
Energy: 1.0164389527859987
Energy: 1.2583386670951533
Energy: 1.085451138871631
Energy: 1.0162328614966352
Energy: 1.2583386670951533
Energy: 1.0882302196774738
Energy: 1.0164389527859987
Energy: 1.1001855049914058
Energy: 1.001946801370579
Energy: 1.065542905660494
Energy: 1.1001855049914058
Energy: 1.0019468013726531
Energy: 1.065542905662568
Energy: 1.1001855049934797
Energy: 1.001946801370579
Energy: 1.065542905660494
Energy: 1.1001855049914058
Energy: 1.206814685254857
Energy: 1.1804437808978197
Energy: 1.1159208456442762
Energy: 1.206814685254857
Energy: 1.1804437808957458
Energy: 1.1159208456422023
Energy: 1.206814685252783
Energy: 1.1804437808915977
Energy: 1.1159208456442762
Energy: 1.206814685254857
Energy: 1.2264960192514125
Energy: 1.0063503601824957
Energy: 1.0940361115027073
Energy: 1.197246554600156
Energy: 1.006238000966907
Energy: 1.0940361115027073
Energy: 1.2264960192472647
Energy: 1.0063503601824957
Energy: 1.0940361115006334
Energy: 1.1972465546022302
Energy: 1.0832205144374478
Energy: 1.061116890238298
Energy: 1.1431941923158726
Energy: 1.083220514439522
Energy: 1.061116890238298
Energy: 1.1431941923158726
Energy: 1.083220514439522
Energy: 1.061116890238298
Energy: 1.1431941923158726
Energy: 1.0832205144333
Energy: 1.2189587901390069
Energy: 1.382727916590886
Energy: 1.0196837337808795
Energy: 1.2189587901390069
Energy: 1.382727916590886
Energy: 1.0198960703143245
Energy: 1.2189587901390069
Energy: 1.382727916590886
Energy: 1.0196837337808795
Energy: 1.2189587901390069
Energy: 1.056020338195517
Energy: 1.1394166015874305
Energy: 1.1425747323749889
Energy: 1.056020338195517
Energy: 1.1394166015853566
Energy: 1.1425747323749889
Energy: 1.056020338195517
Energy: 1.1394166015832827
Energy: 1.1425747323749889
Energy: 1.056020338195517
Energy: 1.0406417673095862
Energy: 1.116755192044832
Energy: 1.2016618389589941
Energy: 1.0070634301538444
Energy: 1.116755192044832
Energy: 1.20166183895692
Energy: 1.0406417673095862
Energy: 1.1167551920427579
Energy: 1.2016618389589941
Energy: 1.0070634301538444
Energy: 1.0416853060029783
Energy: 1.166779064388336
Energy: 1.1925639114315412
Energy: 1.006284448196846
Energy: 1.16677906439041
Energy: 1.072226320218278
Energy: 1.0416853060029783
Energy: 1.16677906439041
Energy: 1.1925639114211712
Energy: 1.0062844481989202
Energy: 1.067995955727418
Energy: 1.1710337491784444
Energy: 1.175473210132475
Energy: 1.067995955727418
Energy: 1.1710337491784444
Energy: 1.175473210132475
Energy: 1.067995955727418
Energy: 1.1710337491763703
Energy: 1.175473210132475
Energy: 1.067995955727418
Energy: 1.3212151975316304
Energy: 1.0172166334905757
Energy: 1.285493235688408
Energy: 1.3212151975274824
Energy: 1.0172166334905757
Energy: 1.285493235688408
Energy: 1.3212151975337043
Energy: 1.0172166334885016
Energy: 1.2854932356904818
Energy: 1.3212151975316304
Energy: 1.1927422423816159
Energy: 1.1383943344179221
Energy: 1.025287387712889
Energy: 1.1927422423795417
Energy: 1.1383943344199963
Energy: 1.0173705564525928
Energy: 1.1927422423795417
Energy: 1.1383943344199963
Energy: 1.025287387714963
Energy: 1.1927422423795417
Energy: 1.3075252616687552
Energy: 1.1914363594708297
Energy: 1.0030493639115299
Energy: 1.307525261670829
Energy: 1.1914363594729036
Energy: 1.003049363909456
Energy: 1.3075252616687552
Energy: 1.1914363594708297
Energy: 1.0030493639115299
Energy: 1.3075252616666813
Energy: 1.081878350878298
Energy: 1.082436514421194
Energy: 1.1062225563058807
Energy: 1.0818783508803722
Energy: 1.082436514421194
Energy: 1.1062225563038066
Energy: 1.0818783508803722
Energy: 1.082436514423268
Energy: 1.1062225563038066
Energy: 1.081878350878298
Energy: 1.2106122716827719
Energy: 1.1547131516949092
Energy: 1.0515703216340315
Energy: 1.2106122716827719
Energy: 1.154713151692835
Energy: 1.0515703216340315
Energy: 1.2106122716827719
Energy: 1.1547131516949092
Energy: 1.0515703216319576
Energy: 1.2106122716827719
Energy: 1.0161935489759173
Energy: 1.133963416809646
Energy: 1.0550010431237336
Energy: 1.0161935489759173
Energy: 1.1339634168117199
Energy: 1.0550010431237336
Energy: 1.0161935489738432
Energy: 1.1339634168117199
Energy: 1.0550010431237336
Energy: 1.0161935489759173
Energy: 1.1395951939357905
Energy: 1.021260596708072
Energy: 1.0195082330024263
Energy: 1.1395951939378646
Energy: 1.0216344368628234
Energy: 1.0202751155404537
Energy: 1.1395951939357905
Energy: 1.0212605967059978
Energy: 1.0195082330210923
Energy: 1.1395951939357905
Energy: 1.2933138973271756
Energy: 1.0199428061008846
Energy: 1.2329520005210624
Energy: 1.2933138973271756
Energy: 1.0199428061008846
Energy: 1.2329520005189885
Energy: 1.2933138973271756
Energy: 1.0199428060988105
Energy: 1.2329520005189885
Energy: 1.2933138973313234
Energy: 1.0432816628711252
Energy: 1.4078094899715758
Energy: 1.0295231758068453
Energy: 1.0432816628731993
Energy: 1.4078094899695395
Energy: 1.0295231758047712
Energy: 1.0432816628731993
Energy: 1.4078094899715758
Energy: 1.0295231758047712
Energy: 1.0432816628752735
Energy: 1.3436766471654846
Energy: 1.005142397278349
Energy: 1.1827682434405784
Energy: 1.3436766471654846
Energy: 1.0053914300639526
Energy: 1.1827682434385043
Energy: 1.3436766471675587
Energy: 1.005142397276275
Energy: 1.1827682434468005
Energy: 1.3436766471675587
Energy: 1.141256084645413
Energy: 1.0065981029231612
Energy: 1.140265516206044
Energy: 1.141256084647487
Energy: 1.0065981029314572
Energy: 1.1402655162081181
Energy: 1.141256084647487
Energy: 1.0065981029273094
Energy: 1.1402655162081181
Energy: 1.141256084645413
Energy: 1.1163664665594109
Energy: 1.1039301147529943
Energy: 1.0076207384470297
Energy: 1.1163664665594109
Energy: 1.1039301147529943
Energy: 1.0146126478540332
Energy: 1.1163664665573367
Energy: 1.1039301147550682
Energy: 1.0076207384491038
Energy: 1.1163664665573367
Energy: 1.0518700689895477
Energy: 1.1059829729734976
Energy: 1.077957413500374
Energy: 1.0518700689895477
Energy: 1.1059829729714237
Energy: 1.077957413500374
Energy: 1.0518700689916218
Energy: 1.1059829729734976
Energy: 1.0779574134983
Energy: 1.0518700689895477
Energy: 1.032550159931421
Energy: 1.0998216509465086
Energy: 1.1431709725761674
Energy: 1.0100841644606247
Energy: 1.0998216509465086
Energy: 1.1431709725761674
Energy: 1.032550159935569
Energy: 1.0998216509485828
Energy: 1.1431709725740933
Energy: 1.0100841644585505

minimum gb energy = 0.9902879567662495 eV
minimum distance =  2.26960839800984 Angstroms
sigma value = 437


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

Energy: 1.0102808258795029
Energy: 1.0657945927871182
Energy: 1.0660722174159571
Energy: 1.0102808258802587
Energy: 1.0657945927863628
Energy: 1.0660722174159571
Energy: 1.0102808258795029
Energy: 1.065794592785607
Energy: 1.0660722174159571
Energy: 1.0102808258802587
Energy: 1.2715786809638718
Energy: 0.990042904767381
Energy: 1.1459176584208577
Energy: 1.2715786809661385
Energy: 0.9900429047666256
Energy: 1.1459176584208577
Energy: 1.271578680965383
Energy: 0.990042904767381
Energy: 1.1459176584208577
Energy: 1.2715786809661385
Energy: 1.1467301281866735
Energy: 0.9755655539050482
Energy: 1.3123489921255544
Energy: 1.1467301281859181
Energy: 0.9755655539058038
Energy: 1.304251729167803
Energy: 1.1467301281866735
Energy: 0.9755655539050482
Energy: 1.303120675513088
Energy: 1.1602176213135342
Energy: 1.052126903102992
Energy: 1.1331129186662574
Energy: 1.1246678816927336
Energy: 1.052126903122638
Energy: 1.1331129186647464
Energy: 1.1246678816919782
Energy: 1.0521269030871248
Energy: 1.1331129186677684
Energy: 1.1246678816927336
Energy: 1.0521269031317049
Energy: 1.0915781845408417
Energy: 1.0081087004565652
Energy: 1.2559355926921738
Energy: 1.0915781845393306
Energy: 1.0081087004565652
Energy: 1.2559355926914182
Energy: 1.0915781845393306
Energy: 1.0081087004565652
Energy: 1.2559355926929294
Energy: 1.0915781845385748
Energy: 1.1153524642072061
Energy: 1.0884953881774613
Energy: 0.9921484237838355
Energy: 1.1153524642064507
Energy: 1.0884953882129742
Energy: 0.9921484237830799
Energy: 1.1153524642072061
Energy: 1.088495388207685
Energy: 0.9921484237830799
Energy: 1.1153524642072061
Energy: 1.189691532553927
Energy: 1.0341268058633826
Energy: 0.9753962406070793
Energy: 1.1896915325350372
Energy: 1.0341268058641382
Energy: 0.9753962406070793
Energy: 1.1896915325101025
Energy: 1.0341268058641382
Energy: 0.9753962406070793
Energy: 1.1896915325101025
Energy: 1.0504740566235995
Energy: 1.1354304910359405
Energy: 1.0536745390469422
Energy: 1.0504740566243553
Energy: 1.1354304910359405
Energy: 1.0536745391693147
Energy: 1.0504740566243553
Energy: 1.1354304910359405
Energy: 1.0536745395068952
Energy: 1.0504740566235995
Energy: 1.3658791727721347
Energy: 1.140654128294538
Energy: 1.0074561304541754
Energy: 1.365879172771379
Energy: 1.140654128294538
Energy: 1.0074561304541754
Energy: 1.365879172769868
Energy: 1.140654128294538
Energy: 1.0074561304541754
Energy: 1.365879172773646
Energy: 1.0527125731127338
Energy: 1.1356371452965068
Energy: 1.165755356183802
Energy: 1.0527125731112228
Energy: 1.1356371453010405
Energy: 1.165755356183802
Energy: 1.0527125731127338
Energy: 1.1356371452934848
Energy: 1.165755356183802
Energy: 1.052712573110467
Energy: 1.0422340804462862
Energy: 0.9858003130903985
Energy: 1.1108295989594315
Energy: 1.042234080447042
Energy: 0.9858003130903985
Energy: 1.1108295989586756
Energy: 1.0422340804462862
Energy: 1.01476100109857
Energy: 1.1108295989586756
Energy: 1.0422340804462862
Energy: 1.1334615341989585
Energy: 0.9911856012255954
Energy: 1.1858772847957355
Energy: 1.1334615342578949
Energy: 0.9911856012255954
Energy: 1.1858772847957355
Energy: 1.1334615342873287
Energy: 0.9911856012255954
Energy: 1.1858772847957355
Energy: 1.133461534248072
Energy: 1.0078919639270323
Energy: 1.2212376106000578
Energy: 1.0084177340696525
Energy: 1.0078919639270323
Energy: 1.2212376105993026
Energy: 1.0084177340696525
Energy: 1.0078919639270323
Energy: 1.2212376106000578
Energy: 1.0084177340696525
Energy: 1.0078919639270323
Energy: 1.247738984624765
Energy: 1.0640199481853552
Energy: 1.2366768945962918
Energy: 1.247738984624765
Energy: 1.0640199481868662
Energy: 1.2366768946098927
Energy: 1.2477389846240095
Energy: 1.0640199481853552
Energy: 1.2366768945985587
Energy: 1.247738984624765

minimum gb energy = 0.9753962406070793 eV
minimum distance =  2.28220146838092 Angstroms
sigma value = 33