Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.24678472710697
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.020222823669715614
Energy: 0.4937628948276207
Energy: 0.27546882449072846
Energy: 0.49377651792763105
Energy: 0.020222823669715614
Energy: 0.4937628948268766
Energy: 0.27546882449072846
Energy: 0.520642879830313
Energy: 0.021047686620478023
Energy: 0.250549143722131
Energy: 0.021056201171271587
Energy: 0.520642879830313
Energy: 0.021047686620478023
Energy: 0.250549143722131
Energy: 0.020222823669715614
Energy: 0.4937628948278782
Energy: 0.27546882449072846
Energy: 0.49377651792763105
Energy: 0.020222823669715614
Energy: 0.49376289482713415
Energy: 0.27546882449072846
Energy: 0.520642879830313
Energy: 0.021047686620478023
Energy: 0.250549143722131
Energy: 0.021056201171271587
Energy: 0.520642879830313
Energy: 0.021047686620478023
Energy: 0.250549143722131
Energy: 0.020222823669715614
Energy: 0.4937628948278782
Energy: 0.27546882449072846
Energy: 0.49377651792763105
Energy: 0.020222823669715614
Energy: 0.4937628948268766
Energy: 0.27546882449072846
Energy: 0.520642879830313
Energy: 0.021047686620478023
Energy: 0.250549143722131
Energy: 0.021056201171271587
Energy: 0.520642879830313
Energy: 0.021047686620478023
Energy: 0.250549143722131

minimum gb energy = 0.020222823669715614 eV
minimum distance =  2.52587674601785 Angstroms
sigma value = 5


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

Energy: 1.046157006181605
Energy: 0.97058672098998
Energy: 0.8969883205180162
Energy: 0.9707190879521873
Energy: 1.046157006181605
Energy: 0.9705867209992106
Energy: 0.8867874623748601
Energy: 0.8921977922987913
Energy: 0.9400286812385541
Energy: 0.909328041417774
Energy: 0.9622993584474286
Energy: 0.8921977922957144
Energy: 0.9400286812324004
Energy: 0.909328041420851
Energy: 0.9129693045242784
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Energy: 0.890335054913893
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Energy: 0.9052371646987558
Energy: 0.8903350549200467
Energy: 1.0115621800029095
Energy: 0.926246700188882
Energy: 0.8930823674180521
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Energy: 1.0115621800029095
Energy: 0.9262467001919588
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Energy: 0.9999804743992357
Energy: 0.9076505468722902
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Energy: 0.9999804744023125
Energy: 0.9076505468784438
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Energy: 0.9077745216540447
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Energy: 0.896306497481815
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Energy: -0.6478517575429015
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Energy: 0.906776202475436
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Energy: 0.917921758409487
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Energy: 0.8973188022721584
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Energy: 0.9950646141579867
Energy: 0.9173623170021646
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Energy: 0.951672359699969
Energy: 0.9950646141610635
Energy: 0.9233617074711801
Energy: 1.0008884877384123
Energy: 0.8834196311867765
Energy: 0.8843548737012866
Energy: 0.9233617074742569
Energy: 1.0008884877384123
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Energy: 1.0352876084524543
Energy: 0.9298808583913758
Energy: 0.9435911404804292
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Energy: 1.0352876084432239
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Energy: 0.984048156014196
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Energy: 0.8985391163159516
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Energy: 0.9475387572408649
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Energy: 0.5339782366067851
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Energy: 0.925241271055389
Energy: 1.0223347305533756
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Energy: -0.6395157006570731
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Energy: 0.9901502960233742
Energy: 0.9147723090397333
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Energy: 0.9300403790129099
Energy: -0.48714220448998435
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Energy: 0.9008160207070924
Energy: 0.973804728117395
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Energy: 0.9383513452027668
Energy: 0.9008160207070924
Energy: 0.9738047281143182
Energy: 1.0171010744755993
Energy: -0.6098219832319343
Energy: 0.8436626867944204
Energy: 1.0295465734025833
Energy: 1.0171010744755993
Energy: -0.6098220171270423
Energy: 0.8436626867974971
Energy: 0.9126054042940592
Energy: 0.9325625631263268
Energy: 0.907109865458386
Energy: 0.9551389680595705
Energy: 0.9126054042909825
Energy: 0.9325625631232498
Energy: 0.9071098654553094
Energy: 0.9202308080924838
Energy: 0.9386667527629892
Energy: 0.9455725197757932
Energy: 0.931020314882038
Energy: 0.9202308080955606
Energy: 0.9386667527599124
Energy: 0.9455725197727163
Energy: 0.9921386730176921
Energy: 0.9570885606120155
Energy: 0.8685575531622373
Energy: 0.9041197665475894
Energy: 0.9921386730084616
Energy: 0.9570885606150923
Energy: 0.8685575531622373
Energy: 0.9557525128787401
Energy: 0.897088690756146
Energy: 0.9942318758402664
Energy: 0.9085150824442361
Energy: 0.9557525128756634
Energy: 0.8970886907499921
Energy: 0.9942318758433433

minimum gb energy = -0.6478517575429015 eV
minimum distance =  2.23041772259078 Angstroms
sigma value = 401


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

Energy: 1.0553072878059646
Energy: 1.0107365104651507
Energy: 0.9463986055066318
Energy: 1.0109542341926376
Energy: 1.0553072878094574
Energy: 1.0107365104581656
Energy: 0.9385446956176869
Energy: 0.9873171695161529
Energy: 0.8920248086904238
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Energy: 1.0633368082914094
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Energy: 0.956841934473089
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Energy: 1.0115624639192042
Energy: 0.9269894464796715
Energy: 0.9224328058784029
Energy: 0.9487042442947635
Energy: 1.0115624639157752
Energy: 0.9224491473910933
Energy: 0.9266906964777148
Energy: 1.0115954429128164
Energy: 0.9484756477778489
Energy: 0.9224491473980785
Energy: 0.9266906964707297
Energy: 1.0115954429163092
Energy: 0.9234039064492826
Energy: 1.063387078926203
Energy: 1.0007184600579297
Energy: 0.748482684938861
Energy: 0.9234039064492826
Energy: 1.063387078919218
Energy: 1.0007184600579297
Energy: 0.9219627230706016
Energy: 0.9755900461408624
Energy: 0.9750425910461732
Energy: 0.8741493837822618
Energy: 0.9219627230740939
Energy: 0.9755900461443548
Energy: 0.975042591039188
Energy: 0.9222080136961921
Energy: 0.9233097283941865
Energy: 1.0002407676256626
Energy: 0.8753191725205427
Energy: 0.9222080136857145
Energy: 0.9233097283837086
Energy: 1.0002407676221698
Energy: 0.9572066939477618
Energy: 0.9086508385839843
Energy: 0.944393319507214
Energy: 0.7641098852093504
Energy: 0.9572066939442694
Energy: 0.9086508385804918
Energy: 0.9443933195002288
Energy: 0.9292665247077166
Energy: 1.0344901686678207
Energy: 0.94450859155626
Energy: 0.8924273987717967
Energy: 0.9292665247077166
Energy: 1.0344901686678207
Energy: 0.94450859155626
Energy: 1.0553072878024723
Energy: 1.0107365104686432
Energy: 0.9440318998487682
Energy: 1.0109542341926376
Energy: 1.0553072878094574
Energy: 1.0107365104616581
Energy: 0.9440318998487682
Energy: 0.9873171695161529
Energy: 0.8920248086904238
Energy: 0.8852761749343308
Energy: 1.0348824636703127
Energy: 0.9873171695161529
Energy: 0.8920248086904238
Energy: 0.8852761749343308

minimum gb energy = 0.748482684938861 eV
minimum distance =  2.30645583102493 Angstroms
sigma value = 311


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

Energy: 0.9730352518481047
Energy: 1.037437167689668
Energy: 1.0560347179286294
Energy: 1.0375600958770215
Energy: 0.973035251848508
Energy: 1.0374371676916845
Energy: 0.9677396082098298
Energy: 1.0438045397162752
Energy: 1.0000304653512306
Energy: 0.9158322383881179
Energy: 0.9737330963184907
Energy: 1.0438045397170819
Energy: 1.0000304653528438
Energy: 0.9158322383873113
Energy: 0.9661079252272953
Energy: 0.8918749749606796
Energy: 0.943752486213085
Energy: 0.9028701478397108
Energy: 0.9661079252268919
Energy: 0.8918749749602762
Energy: 0.9437524862134884
Energy: 0.9299085041775225
Energy: 0.9071328987485746
Energy: 0.9534139656996353
Energy: 0.9666482959877216
Energy: 0.9299085041763127
Energy: 0.9071328987481713
Energy: 0.9534139657000387
Energy: 0.9447563058268196
Energy: 0.9641244121880184
Energy: 0.9903450216946812
Energy: 0.8914733444846322
Energy: 0.9447563058284326
Energy: 0.9641244121904382
Energy: 0.9363154849715621
Energy: 0.9796134914276622
Energy: 0.9262556808563511
Energy: 0.9575278944380134
Energy: 0.9874581069527597
Energy: 0.9796134914268555
Energy: 0.9262556808571577
Energy: 0.957527894437207
Energy: 0.9793240128385626
Energy: 0.9565830913967115
Energy: 0.8415352746498909
Energy: 0.8679492064629449
Energy: 0.9793240128385626
Energy: 0.9565830913979215
Energy: 0.902402887063233
Energy: 0.8990124645167304
Energy: 0.9168245687942171
Energy: 0.9888273050564317
Energy: 0.9060337169437596
Energy: 0.8990124645171338
Energy: 0.9168245687938138
Energy: 0.988827305058045
Energy: 0.9758943943209685
Energy: 0.9137792263098082
Energy: 1.0296866084683884
Energy: 0.9145905706908986
Energy: 0.9758943943217752
Energy: 0.9137792263118247
Energy: 1.0296866084695981
Energy: 0.9398407760547726
Energy: 0.8720738901809876
Energy: 0.9719133236347113
Energy: 0.9489637375571055
Energy: 0.9398407760547726
Energy: 0.8720738901805842
Energy: 0.9719133236347113
Energy: 1.0115074042659924
Energy: 0.9744834980106146
Energy: 0.9938453871366685
Energy: 0.9255720260219058
Energy: 1.0115074042659924
Energy: 0.9744834980114213
Energy: 0.9938453871374751
Energy: 0.9608930177123596
Energy: 0.9572569580836795
Energy: 0.9708057197350337
Energy: 0.9592811866586227
Energy: 0.9608930177135695
Energy: 0.9572569580816631
Energy: 0.9708057197338238
Energy: 0.9755886041318638
Energy: 0.9599500226383019
Energy: 1.0482289806581435
Energy: 0.9092852889479611
Energy: 0.9755886041326703
Energy: 0.9599500226358821
Energy: 1.0482289806593534
Energy: 0.9548425730379557
Energy: 0.8915505566951837
Energy: 0.948520336005897
Energy: 0.8915583504114507
Energy: 0.9548425730403755
Energy: 0.891550556694377
Energy: 0.948520336004687
Energy: 0.9750522333296677
Energy: 0.9095289422112346
Energy: 1.0480636573071975
Energy: 0.9601361416317499
Energy: 0.9750522333280546
Energy: 0.9095289422124445
Energy: 1.0480636573055844
Energy: 0.9607994061718053
Energy: 0.9595171846517879
Energy: 0.9708379211439072
Energy: 0.956056410583038
Energy: 0.9607994061734184
Energy: 0.9595171846513848
Energy: 0.9708379211431006
Energy: 1.011752797226196
Energy: 0.9233139493081431
Energy: 0.9938027768877801
Energy: 0.9722770496893908
Energy: 1.0117527972270024
Energy: 0.923313949310966
Energy: 0.9938027768857636
Energy: 0.9383463848961426
Energy: 0.946435180020137
Energy: 0.9719783762958417
Energy: 0.8723191841528587
Energy: 0.9383463848969492
Energy: 0.9464351800209437
Energy: 0.9719783762946317
Energy: 0.9758768108948915
Energy: 0.9178339321458124
Energy: 1.0169309008336807
Energy: 0.913809596588483
Energy: 0.9758768108948915
Energy: 0.9178339321482323
Energy: 1.0169309008328742
Energy: 0.8989282323788409
Energy: 0.9062491725451216
Energy: 0.9881621184862366
Energy: 0.9166353236650826
Energy: 0.8989282323788409
Energy: 0.9062491725459282
Energy: 0.9881621184866399
Energy: 0.979133914935187
Energy: 0.8681675979585513
Energy: 1.0810827171258217
Energy: 0.9572522574802614
Energy: 0.9791339149347839
Energy: 0.8681675979601644
Energy: 1.081082717123402
Energy: 0.9796528721671557
Energy: 0.9874826833729297
Energy: 0.9575226861828412
Energy: 0.9263311958148341
Energy: 0.979652872167559
Energy: 0.9874826833729297
Energy: 0.9575226861832445
Energy: 0.9447593599924394
Energy: 0.891420710008782
Energy: 0.9311834606259689
Energy: 0.9651501954059282
Energy: 0.9447593599908262
Energy: 0.8914207100055558
Energy: 0.9311834606247591
Energy: 0.9298806493183562
Energy: 0.9667105618923365
Energy: 0.9532588824482721
Energy: 0.9071681782966655
Energy: 0.9298806493167431
Energy: 0.9667105618919333
Energy: 0.9532588824478687
Energy: 0.966310002921501
Energy: 0.8952180109733978
Energy: 0.9783876717762977
Energy: 0.8919062726251898
Energy: 0.9663100029219044
Energy: 0.895218010973801
Energy: 0.9783876717762977
Energy: 1.043605411867504
Energy: 0.9737433826798603
Energy: 0.9126221439410093
Energy: 1.0001995853759766
Energy: 1.0436054118658908
Energy: 0.973743382676634
Energy: 0.9126221439418158
Energy: 0.9730352518493144
Energy: 1.0374371676904746
Energy: 0.937221089286151
Energy: 1.0375600958758115
Energy: 0.9730352518468949
Energy: 1.0374371676912812
Energy: 0.9372210892857477
Energy: 1.0438045397154687
Energy: 1.0000304653524406
Energy: 0.9158322383881179
Energy: 0.9737330963176842
Energy: 1.0438045397182918
Energy: 1.0000304653520373
Energy: 0.9158322383897312
Energy: 0.9661079252260856
Energy: 0.891874974959873
Energy: 0.9402293811044098
Energy: 0.9028701478393074
Energy: 0.9661079252272953
Energy: 0.8918749749614862
Energy: 0.9402293811044098
Energy: 0.9299085041771192
Energy: 0.9071328987489778
Energy: 0.9534139657016516
Energy: 0.9666482959877216
Energy: 0.929908504176716
Energy: 0.9071328987469616
Energy: 0.9534139657000387
Energy: 0.9447563058284326
Energy: 0.9641244121892283
Energy: 0.9189037733037971
Energy: 0.891473344483019
Energy: 0.9447563058276262
Energy: 0.9641244121900349
Energy: 0.9189037733054104
Energy: 0.9796134914280655
Energy: 0.9262556808575609
Energy: 0.9575278944359972
Energy: 0.9874581069523565
Energy: 0.9796134914268555
Energy: 0.9262556808567545
Energy: 0.9575278944384168
Energy: 0.9793240128393693
Energy: 0.9565830913963084
Energy: 0.9024028870644428
Energy: 0.8679492064629449
Energy: 0.9793240128373528
Energy: 0.956583091395905
Energy: 0.9024028870636361
Energy: 0.8990124645167304
Energy: 0.9168245687938138
Energy: 0.9888273050584482
Energy: 0.9060337169425499
Energy: 0.8990124645171338
Energy: 0.916824568792604
Energy: 0.9888273050604647
Energy: 0.9758943943221784
Energy: 0.9137792263114215
Energy: 1.0168034311823317
Energy: 0.9145905706904954
Energy: 0.9758943943229849
Energy: 0.9137792263102116
Energy: 1.0168034311811585
Energy: 0.9398407760555791
Energy: 0.8720738901801809
Energy: 0.9719133236347113
Energy: 0.9489637375534759
Energy: 0.9398407760543692
Energy: 0.8720738901821973
Energy: 0.9719133236330981

minimum gb energy = 0.8415352746498909 eV
minimum distance =  2.27962257053212 Angstroms
sigma value = 39


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

Energy: 0.9551640220561856
Energy: 1.064069753533585
Energy: 1.095030653254954
Energy: 1.078316058798628
Energy: 0.9551640220566615
Energy: 1.0640697535359647
Energy: 0.8611779675196133
Energy: 1.0533765667252952
Energy: 0.8929702788402171
Energy: 0.7868736288530833
Energy: 0.8923951856045681
Energy: 1.0533765667281512
Energy: 0.892970278840693
Energy: 0.7868736288502276
Energy: 0.9554085744698303
Energy: 0.9984297358277844
Energy: 0.7789827004670392
Energy: 1.0619551271267393
Energy: 0.9554085744693543
Energy: 0.9984297358244528
Energy: 0.7789827004646594
Energy: 1.0774915670257605
Energy: 0.892994945833918
Energy: 0.7869161298511537
Energy: 0.8412689360728877
Energy: 1.0774915670267124
Energy: 0.8929949458334422
Energy: 0.7869161298525815
Energy: 0.9674309079438055
Energy: 1.0622026993124225
Energy: 1.0647659286303155
Energy: 1.061803225046167
Energy: 0.9674309079428535
Energy: 1.0622026993148022
Energy: 1.0647659286279358
Energy: 1.0775014182961324
Energy: 0.7773573696247643
Energy: 0.9906943613000804
Energy: 0.8381189347321673
Energy: 1.0775014182985119
Energy: 0.7773573696242885
Energy: 0.9906943613019843
Energy: 1.1192664204879563
Energy: 1.06229698891756
Energy: 0.8914377379125448
Energy: 1.0613779748700807
Energy: 1.1192664204870046
Energy: 1.0622969889170841
Energy: 0.9271044403182094
Energy: 1.0778517934512968
Energy: 0.8808690231925088
Energy: 1.2147461109760715
Energy: 0.8807885154632809
Energy: 1.0778517934508207
Energy: 0.8808690231963165
Energy: 1.2147461109760715
Energy: 1.1195541401193112
Energy: 1.0613433942857469
Energy: 0.9070575146176949
Energy: 1.0623638153885397
Energy: 1.1195541401193112
Energy: 1.061343394283843
Energy: 0.9909792262645217
Energy: 1.0675609137737374
Energy: 0.8381071246151157
Energy: 0.9906490676454672
Energy: 0.777665100962224
Energy: 1.0675609137746893
Energy: 0.8381071246170194
Energy: 0.9906490676435633
Energy: 0.9681579235115824
Energy: 1.061824042465649
Energy: 0.9451698242583779
Energy: 1.0637413092554358
Energy: 0.9681579235106305
Energy: 1.0618240424637455
Energy: 0.904997504348175
Energy: 1.0779185040707646
Energy: 0.8413055925809575
Energy: 0.7869330820214852
Energy: 0.8932281968143336
Energy: 1.0779185040702886
Energy: 0.8413055925771498
Energy: 0.7869330820267205
Energy: 0.9555622579741189
Energy: 1.061946288267143
Energy: 0.7946880138294207
Energy: 0.9984319417735956
Energy: 0.9555622579712633
Energy: 1.061946288266191
Energy: 0.9104540760545502
Energy: 1.0538086446661397
Energy: 0.8915399903223902
Energy: 0.7871414114873938
Energy: 0.8927252192133254
Energy: 1.0538086446666157
Energy: 0.8915399903204863
Energy: 0.7871414114869179
Energy: 0.9551640220566615
Energy: 1.064069753534061
Energy: 1.0168293054740591
Energy: 1.0783160587991039
Energy: 0.9551640220547577
Energy: 1.0640697535354886
Energy: 0.8611779675191372
Energy: 1.0533765667248194
Energy: 0.8929702788411691
Energy: 0.7868736288530833
Energy: 0.8923951856045681
Energy: 1.0533765667281512
Energy: 0.8929702788402171
Energy: 0.7868736288502276
Energy: 0.9554085744698303
Energy: 0.9984297358277844
Energy: 0.7789827004670392
Energy: 1.0619551271262633
Energy: 0.9554085744712582
Energy: 0.9984297358244528
Energy: 0.7789827004646594
Energy: 1.0774915670262364
Energy: 0.8929949458310622
Energy: 0.7869161298511537
Energy: 0.8412689360728877
Energy: 1.0774915670267124
Energy: 0.8929949458305864
Energy: 0.7869161298521056
Energy: 0.9674309079414255
Energy: 1.0622026993124225
Energy: 1.0647659286312676
Energy: 1.061803225048071
Energy: 0.9674309079419015
Energy: 1.0622026993148022
Energy: 1.0647659286288875
Energy: 1.0775014182961324
Energy: 0.7773573696271442
Energy: 0.9906943612986525
Energy: 0.8381189347326433
Energy: 1.077501418298036
Energy: 0.7773573696271442
Energy: 0.9906943613024601
Energy: 1.1192664204884322
Energy: 1.06229698891756
Energy: 0.8914377379125448
Energy: 1.0613779748700807
Energy: 1.1192664204865286
Energy: 1.0622969889170841
Energy: 0.9619402651095691
Energy: 1.0778517934512968
Energy: 0.8808690231925088
Energy: 1.2147461109760715
Energy: 0.8807885154637568
Energy: 1.0778517934508207
Energy: 0.8808690231972685
Energy: 1.2147461109760715
Energy: 1.1195541401193112
Energy: 1.0613433942862227
Energy: 0.9070575146181709
Energy: 1.0623638153890156
Energy: 1.119554140120263
Energy: 1.061343394283367
Energy: 0.9909792262645217
Energy: 1.0675609137737374
Energy: 0.8381071246146397
Energy: 0.9906490676464189
Energy: 0.7776651009617481
Energy: 1.0675609137746893
Energy: 0.8381071246170194
Energy: 0.9906490676445152
Energy: 0.9681579235125343
Energy: 1.061824042465649
Energy: 0.9451698242588539
Energy: 1.0637413092554358
Energy: 0.9681579235106305
Energy: 1.061824042468505
Energy: 0.9436686371163276
Energy: 1.0779185040702886
Energy: 0.8413055925814334
Energy: 0.7869330820214852
Energy: 0.8932281968138577
Energy: 1.0779185040702886
Energy: 0.8413055925771498
Energy: 0.7869330820262447
Energy: 0.9555622579741189
Energy: 1.061946288267143
Energy: 0.7946880138365598
Energy: 0.9984319417740715
Energy: 0.9555622579717391
Energy: 1.061946288266667
Energy: 0.8964162576604318
Energy: 1.0538086446656636
Energy: 0.8915399903223902
Energy: 0.7871414114869179
Energy: 0.8927252192138012
Energy: 1.0538086446666157
Energy: 0.8915399903200103
Energy: 0.7871414114869179
Energy: 0.9551640220557097
Energy: 1.0640697535345371
Energy: 1.016829305474535
Energy: 1.0783160587991039
Energy: 0.9551640220552338
Energy: 1.0640697535359647
Energy: 0.8611779675191372
Energy: 1.0533765667252952
Energy: 0.892970278840693
Energy: 0.7868736288526075
Energy: 0.8923951856045681
Energy: 1.0533765667281512
Energy: 0.892970278839265
Energy: 0.7868736288497516

minimum gb energy = 0.7773573696242885 eV
minimum distance =  2.26093300601271 Angstroms
sigma value = 21


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

Energy: 1.0999795065069038
Energy: 1.0771474414163738
Energy: 0.9521782247261894
Energy: 1.0771582877497015
Energy: 1.0999795065069038
Energy: 1.0771474414175293
Energy: 0.8915721432825788
Energy: 0.9823534392873644
Energy: 0.9098477349896632
Energy: 0.8971879791725623
Energy: 0.9106400462118012
Energy: 0.9823534392879424
Energy: 0.9098477349908187
Energy: 0.8971879791737178
Energy: 1.1001330770226905
Energy: 0.9524443879361886
Energy: 0.8236360332613684
Energy: 1.0407209509135775
Energy: 1.1001330770232685
Energy: 0.9524443879379219
Energy: 0.8236360332619462
Energy: 0.9969907222052735
Energy: 0.9117924805023444
Energy: 0.9026881089751155
Energy: 0.8792983066608664
Energy: 0.9969907222064294
Energy: 0.9117924805000333
Energy: 0.9026881089745377
Energy: 0.8879819098512788
Energy: 0.8585668788985141
Energy: 0.9036238460445413
Energy: 0.9302613486364608
Energy: 0.8879819098518564
Energy: 0.8585668789008253
Energy: 0.9036238460456968
Energy: 0.9969862925679901
Energy: 0.9077527163523715
Energy: 0.9646695120603805
Energy: 0.8776763762349208
Energy: 0.9969862925668346
Energy: 0.9077527163517938
Energy: 0.9646695120603805
Energy: 0.9723168840648114
Energy: 0.7892003117423966
Energy: 0.903816877309326
Energy: 0.9004097611972137
Energy: 0.972316884065967
Energy: 0.7892003117429746
Energy: 0.9038168773081705
Energy: 1.039233942351684
Energy: 0.9868930224025403
Energy: 1.0060361203658592
Energy: 0.8779302985510152
Energy: 1.0392339423528396
Energy: 0.9868930224031182
Energy: 1.0060361203658592
Energy: 0.9722103812114945
Energy: 0.8816557337071129
Energy: 1.0061362013474802
Energy: 0.961500324149115
Energy: 0.9722103812132279
Energy: 0.8816557337053795
Energy: 1.0061362013474802
Energy: 1.0862673000153433
Energy: 0.9120359554628714
Energy: 0.8865459111570041
Energy: 0.8784868030529029
Energy: 1.0862673000147653
Energy: 0.9120359554617159
Energy: 0.8865459111570041
Energy: 0.9352992713194528
Energy: 0.8156073460115213
Energy: 0.9733126813150577
Energy: 0.8155236827192617
Energy: 0.9352992713200305
Energy: 0.8156073460086325
Energy: 0.9733126813156356
Energy: 0.8632733976133481
Energy: 0.9340997132140783
Energy: 0.8499652206037154
Energy: 0.8744785031002901
Energy: 0.8632733976127702
Energy: 0.9340997132152338
Energy: 0.8499652206054489
Energy: 0.9317053512266253
Energy: 0.8211685604504669
Energy: 0.9310532725588768
Energy: 0.8046836038658179
Energy: 0.9317053512272032
Energy: 0.8211685604498893
Energy: 0.9310532725594547
Energy: 0.8791276052021986
Energy: 0.935379475066422
Energy: 0.8461603894964438
Energy: 0.9083947851633594
Energy: 0.8791276052021986
Energy: 0.9353794750641111
Energy: 0.8461603894970215
Energy: 0.989637372277749
Energy: 0.8487349141383472
Energy: 0.9713930046206196
Energy: 0.8036101722091047
Energy: 0.9896373722783268
Energy: 0.8487349141383472
Energy: 0.971393004620042
Energy: 0.8789026501066429
Energy: 0.9576247561337662
Energy: 0.8679763284467252
Energy: 0.9865484697728424
Energy: 0.878902650106065
Energy: 0.9576247561343438
Energy: 0.8679763284467252
Energy: 0.98967451522886
Energy: 0.8565955737780648
Energy: 0.9439893866426553
Energy: 0.8019090500605226
Energy: 0.98967451522886
Energy: 0.8565955737780648
Energy: 0.9439893866426553
Energy: 0.8792233200835423
Energy: 0.9745823702270683
Energy: 0.8632051825459095
Energy: 1.0087958295099935
Energy: 0.8792233200829644
Energy: 0.9745823702259125
Energy: 0.8632051825459095
Energy: 0.8676217275094744
Energy: 0.8405873539562609
Energy: 0.9186210500940403
Energy: 0.9104388092829205
Energy: 0.8676217275071632
Energy: 0.8405873539573904
Energy: 0.9186210500917292
Energy: 0.8814417316235174
Energy: 1.020899183709051
Energy: 0.8271388316422502
Energy: 0.8731838648917927
Energy: 0.8814417316240688
Energy: 1.0208991837096288
Energy: 0.8271388316428281
Energy: 0.97194721137225
Energy: 0.870709288136016
Energy: 0.9248465419933487
Energy: 0.8406592093481378
Energy: 0.97194721137225
Energy: 0.8707092881371715
Energy: 0.9248465419927708
Energy: 0.8790836330632931
Energy: 1.008665794828059
Energy: 0.8627319274607789
Energy: 0.9746983278430632
Energy: 0.8790836330621377
Energy: 1.0086657948263256
Energy: 0.8627319274625123
Energy: 0.990090909362878
Energy: 0.801273396710292
Energy: 0.9438122303560905
Energy: 0.8567948282013997
Energy: 0.9900909093634558
Energy: 0.8012733967108697
Energy: 0.943812230357246
Energy: 0.8789554119245168
Energy: 0.9866041145730384
Energy: 0.9031240521815199
Energy: 0.957488040930162
Energy: 0.8789554119239391
Energy: 0.9866041145718828
Energy: 0.9031240521815199
Energy: 0.989632376786688
Energy: 0.8038905733094283
Energy: 0.8386264646721395
Energy: 0.8486043745664046
Energy: 0.9896323767861102
Energy: 0.8038905733082725
Energy: 0.8386264646704061

minimum gb energy = 0.7892003117423966 eV
minimum distance =  2.26404609569983 Angstroms
sigma value = 113


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

Energy: 0.8729809880880133
Energy: 0.8867243458737049
Energy: 0.8380984371356492
Energy: 0.8867478944846487
Energy: 0.8729809880847885
Energy: 0.8867243458737049
Energy: 0.8226407979304768
Energy: 0.9642477191340194
Energy: 0.9068113869654174
Energy: 1.0324823999066841
Energy: 0.9020836101146028
Energy: 0.9642477191275702
Energy: 0.9068113869654174
Energy: 1.0324823999034594
Energy: 0.8728765189704654
Energy: -0.9871043954330578
Energy: 0.8327138217650365
Energy: 0.8251454024083016
Energy: 0.87287651897369
Energy: -0.9868512549687358
Energy: 0.8327138217585873
Energy: 0.8184508548576076
Energy: 0.8951301824122027
Energy: 0.9088250160910193
Energy: 0.9033442106643532
Energy: 0.8184508548640568
Energy: 0.8951301824122027
Energy: 0.9088250160910193
Energy: 0.8567449345167952
Energy: 0.8574120183515985
Energy: 0.9116588803530508
Energy: 0.8228358880386866
Energy: 0.8567449345167952
Energy: 0.8574120183483738
Energy: 0.9116588803466015
Energy: 0.8194330383055096
Energy: 0.8573028817926301
Energy: 0.9010802188180553
Energy: 0.8324373382715544
Energy: 0.8194330383055096
Energy: 0.8573028817926301
Energy: 0.90108021882128
Energy: 0.8868348031165939
Energy: 0.8568075298039689
Energy: 0.898075891841361
Energy: 0.8149975425596822
Energy: 0.8868348031198184
Energy: 0.8568075298104182
Energy: 0.898075891841361
Energy: 0.8256821867462879
Energy: 0.8260678698598628
Energy: 0.9645296711426281
Energy: 0.816346723017398
Energy: 0.8256821867430633
Energy: 0.8260678698663121
Energy: 0.9645296711426281
Energy: 0.8459375044988157
Energy: 0.89132871237348
Energy: 0.8715504924370998
Energy: 0.8366717084150961
Energy: 0.8459375044988157
Energy: 0.8913287123799292
Energy: 0.8715504924403246
Energy: 0.8154601185683469
Energy: 0.8258634839590163
Energy: 0.7755348985969914
Energy: 0.8331791023732216
Energy: 0.8154601185651223
Energy: 0.8258634839590163
Energy: 0.7755348985937668
Energy: 0.8633632690644747
Energy: 0.8273916964603529
Energy: 0.8139645085025524
Energy: 0.8197262537357216
Energy: 0.8633632690676993
Energy: 0.8273916964668021
Energy: 0.8139645084993278
Energy: 0.8149300239326621
Energy: 0.8173971144016349
Energy: 0.9287539888818988
Energy: 0.8196016535008496
Energy: 0.8149300239326621
Energy: 0.8173971144048595
Energy: 0.9287539888818988
Energy: 0.8634819256409162
Energy: 0.8342700696025654
Energy: 0.8062364422232575
Energy: 0.818350829010583
Energy: 0.8634819256409162
Energy: 0.8342700696025654
Energy: 0.8062364422264822
Energy: -0.07413589953738363
Energy: 0.8480341500791555
Energy: 0.893495812910459
Energy: 0.8090691545870157
Energy: -0.07413589965018742
Energy: 0.8480341500791555
Energy: 0.8934958129201328
Energy: 0.8607860607081309
Energy: 0.8065462787943137
Energy: 0.7868053905864287
Energy: 0.8480515446693853
Energy: 0.8607860607081309
Energy: 0.8065462787910892
Energy: 0.7868053905928781
Energy: 0.8553377402332758
Energy: 0.8165221357954398
Energy: 0.8111283631983265
Energy: 0.8212576631705573
Energy: 0.8553377402268266
Energy: 0.8165221357954398
Energy: 0.8111283631951018
Energy: 0.8333946398277395
Energy: 0.8346249085207708
Energy: 0.8377152808003289
Energy: 0.817700145223793
Energy: 0.8333946398245148
Energy: 0.8346249085239954
Energy: 0.8377152808003289
Energy: 0.8146605066126438
Energy: 0.8070626150975019
Energy: 0.7689074002677626
Energy: 0.8553834067925399
Energy: 0.8146605066126438
Energy: 0.8070626150942773
Energy: 0.7689074002774364
Energy: 0.8336130353921283
Energy: 0.8371281652506203
Energy: 1.0216295170047194
Energy: 0.8586949727426024
Energy: 0.8336130353921283
Energy: 0.837128165253845
Energy: 1.0216295170047194
Energy: 0.8551096859544158
Energy: 0.8279113002397407
Energy: 0.7904327535920345
Energy: 0.836575792752188
Energy: 0.8551096859511913
Energy: 0.8279113002397407
Energy: 0.7904327535920345
Energy: 0.812704957957249
Energy: 0.824881128384974
Energy: 0.9846104276419014
Energy: 0.9416298240065387
Energy: 0.812704957957249
Energy: 0.8248811283785246
Energy: 0.984610427645126
Energy: 0.8490343639250116
Energy: 0.8213537849637311
Energy: 0.8305089426389923
Energy: 0.8325232387483172
Energy: 0.8490343639217869
Energy: 0.8213537849605064
Energy: 0.8305089426357679
Energy: 0.8231280730690336
Energy: 0.8210724331081746
Energy: 0.953478092174262
Energy: 0.9120569471329052
Energy: 0.8231280730625842
Energy: 0.82107243310495
Energy: 0.9534780921807112
Energy: 0.8313768789206114
Energy: 0.8770013256516502
Energy: 0.7555348061598179
Energy: 0.8312126763145148
Energy: 0.8313768789206114
Energy: 0.8770013256580995
Energy: 0.7555348061662671
Energy: 0.822504970394722
Energy: 0.8915642562583309
Energy: 0.9725192280729271
Energy: 0.8552975847230821
Energy: 0.822504970394722
Energy: 0.8915642562647802
Energy: 0.9725192280729271
Energy: 0.876293903686185
Energy: 0.8006646056784683
Energy: 0.866394812648339
Energy: 0.7742891148371395
Energy: 0.8762939036829605
Energy: 0.8006646056687943
Energy: 0.8663948126451144
Energy: 0.8748735712841775
Energy: 0.8906333336088549
Energy: 0.8465680743207297
Energy: 0.8298984259236108
Energy: 0.8748735712874022
Energy: 0.8906333336056302
Energy: 0.8465680743465267
Energy: 0.87410309684825
Energy: 0.7758990664056004
Energy: 0.8510724379627618
Energy: 0.8335846815019862
Energy: 0.87410309684825
Energy: 0.7758990664023757
Energy: 0.8510724379466973
Energy: 0.9342592022380757
Energy: 0.8838177844197442
Energy: 0.8517170445806934
Energy: 0.9753650189046041
Energy: 0.9342592022380757
Energy: 0.8838177844229689
Energy: 0.8517170445806934
Energy: 0.8740111922912123
Energy: 0.8978502107931168
Energy: 0.8331003362588358
Energy: 0.7733893991746508
Energy: 0.8740111922879875
Energy: 0.8978502107931168
Energy: 0.8331003362652852
Energy: 0.9437729972645275
Energy: 0.8930280228050425
Energy: 0.8980868817825092
Energy: 0.9762984561241983
Energy: 0.943772997261303
Energy: 0.8930280228082671
Energy: 0.8980868816922193
Energy: 0.8738103559940399
Energy: 0.8141044059240937
Energy: 0.7975475067880305
Energy: 0.8200994909729631
Energy: 0.8738103559908152
Energy: 0.8141044059208691
Energy: 0.7975475067880305
Energy: 0.9437264340800121
Energy: 0.8378249851702625
Energy: 0.9663592313065407
Energy: 0.8739083618180251
Energy: 0.9437264340800121
Energy: 0.8378249851638132
Energy: 0.9663592313097653
Energy: 0.9118256637004679
Energy: 0.8179132410563575
Energy: 0.8897505119749767
Energy: 0.8209704621730642
Energy: 0.9118256636940186
Energy: 0.8179132410563575
Energy: 0.8897505119717519
Energy: 0.9924418431947443
Energy: 0.8326153723216552
Energy: 0.8543043135060081
Energy: 0.9286341477159565
Energy: 0.9924418432011936
Energy: 0.832615372315206
Energy: 0.8543043135027835
Energy: 0.9788930007693336
Energy: 0.8883978932054216
Energy: 0.8533016098599032
Energy: 0.8227409917767472
Energy: 0.9788930007661677
Energy: 0.8883978932054216
Energy: 0.8533016098599032
Energy: 0.990851845995385
Energy: 0.8946369597308137
Energy: 0.8231154042252975
Energy: 0.9176964175242789
Energy: 0.9908518459986096
Energy: 0.8946369597243645
Energy: 0.8231154043413259
Energy: 0.8461044351574176
Energy: 0.8891210333109556
Energy: 0.8983781928057009
Energy: 0.8269196864274571
Energy: 0.846104435154193
Energy: 0.8891210333174048
Energy: 0.8983781928057009
Energy: 0.9901449598380888
Energy: 0.9331446675847672
Energy: 0.8053353718834518
Energy: 0.9339698673240096
Energy: 0.9901449598348642
Energy: 0.9331446675879919
Energy: 0.8053353718576548
Energy: 0.8459512757407202
Energy: 0.866539268559968
Energy: 0.7580696302120342
Energy: 0.907532742000423
Energy: 0.8459512757471694
Energy: 0.8665392685567433
Energy: 0.7580696302120342
Energy: 0.8865654460443724
Energy: 0.9227189700897926
Energy: 0.9060137066234353
Energy: 0.9340530394352425
Energy: 0.8865654460475969
Energy: 0.9227189700897926
Energy: 0.90601370662666
Energy: 0.8460065196449956
Energy: 0.8545290844436139
Energy: 0.8087647543837087
Energy: 0.84730138517281
Energy: 0.8460065196449956
Energy: 0.8545290844500045
Energy: 0.8087647543998319
Energy: -0.07771610786094235
Energy: 0.9228417887407934
Energy: 0.7661742213248841
Energy: 0.9257651262866595
Energy: -0.07771610785771771
Energy: 0.9228417887407934
Energy: 0.7661742213248841
Energy: 0.9127015971684491
Energy: 0.8470803434186284
Energy: 0.9559024332158403
Energy: 0.8178916438468175
Energy: 0.9127015971652247
Energy: 0.8470803434154037
Energy: 0.9559024332190651
Energy: 0.8176951080835756
Energy: 0.9230180839333899
Energy: 0.8600451918112317
Energy: 0.8949811114680599
Energy: 0.8176951080835756
Energy: 0.9230180839366143
Energy: 0.8600451918112317

minimum gb energy = -0.9871043954330578 eV
minimum distance =  2.17733043407229 Angstroms
sigma value = 365


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

Energy: 0.8307893302710059
Energy: 0.5491642069085733
Energy: 1.4492852829810734
Energy: 0.5491642069093003
Energy: 0.8307893302710059
Energy: 0.5491642069100274
Energy: 0.44748113840173465
Energy: 0.8307893302724598
Energy: 0.5491642069100274
Energy: 1.4492852829803464
Energy: 0.5491642069100274
Energy: 0.8307893302702788
Energy: 0.5491642069085733
Energy: 1.4492852829803464
Energy: 0.8307893302702788
Energy: 0.5491642069085733
Energy: 0.9916055686489924
Energy: 0.5491642069085733
Energy: 0.8307893302724598
Energy: 0.5491642069100274
Energy: 0.9916055680312766
Energy: 0.8307893302710059
Energy: 0.5491642069085733
Energy: 0.9916055716430564
Energy: 0.5491642069093003
Energy: 0.8307893302710059
Energy: 0.5491642069100274
Energy: 0.4474813299821129
Energy: 0.8307893302724598
Energy: 0.5491642069100274
Energy: 0.9916055690145259
Energy: 0.5491642069100274
Energy: 0.8307893302702788
Energy: 0.5491642069078463
Energy: 0.9916055669172269
Energy: 0.8307893302710059
Energy: 0.5491642069085733
Energy: 0.4132443566035832
Energy: 0.5491642069085733
Energy: 0.8307893302724598
Energy: 0.5491642069100274
Energy: 0.41324460655274486
Energy: 0.8307893302702788
Energy: 0.5491642069085733
Energy: 0.41324420754826713
Energy: 0.5491642069093003
Energy: 0.8307893302710059
Energy: 0.5491642069100274
Energy: 0.44748149977340457
Energy: 0.8307893302724598
Energy: 0.5491642069100274
Energy: 0.41324413530721815
Energy: 0.5491642069100274
Energy: 0.8307893302702788
Energy: 0.5491642069078463
Energy: 0.4132443944762134
Energy: 0.8307893302710059
Energy: 0.5491642069085733
Energy: 0.40842311792188657
Energy: 0.5491642069085733
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.4084092025353694
Energy: 0.8307893302710059
Energy: 0.5491642069085733
Energy: 0.40843057468615174
Energy: 0.5491642069093003
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.4474817044876447
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.408436428530131
Energy: 0.5491642069100274
Energy: 0.8307893302695518
Energy: 0.5491642069078463
Energy: 0.40842584572863505
Energy: 0.8307893302710059
Energy: 0.5491642069085733
Energy: 0.4474818698888982
Energy: 0.5491642069085733
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.4474817636689563
Energy: 0.8307893302702788
Energy: 0.5491642069085733
Energy: 0.4474819276945266
Energy: 0.5491642069093003
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.4474818060610041
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.4474819957562455
Energy: 0.5491642069100274
Energy: 0.8307893302695518
Energy: 0.5491642069085733
Energy: 0.44748188167543135
Energy: 0.8307893302702788
Energy: 0.5491642069093003
Energy: 0.4474820462228148
Energy: 0.5491642069085733
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.44748193905521527
Energy: 0.8307893302702788
Energy: 0.5491642069078463
Energy: 0.4474820558059679
Energy: 0.5491642069093003
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.44748197593372374
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.44748215962705645
Energy: 0.5491642069100274
Energy: 0.8307893302695518
Energy: 0.5491642069085733
Energy: 0.44748205949547437
Energy: 0.8307893302695518
Energy: 0.5491642069093003
Energy: 0.44748223214788185
Energy: 0.5491642069085733
Energy: 0.8307893302724598
Energy: 0.5491642069093003
Energy: 0.44748212644899305
Energy: 0.8307893302702788
Energy: 0.5491642069085733
Energy: 0.44748224235093176
Energy: 0.5491642069093003
Energy: 0.8307893302717329
Energy: 0.5491642069100274
Energy: 0.4474821621654345
Energy: 0.8307893302724598
Energy: 0.5491642069100274
Energy: 0.447482353899118
Energy: 0.5491642069100274
Energy: 0.8307893302695518
Energy: 0.5491642069085733
Energy: 0.44748221381945097

minimum gb energy = 0.4084092025353694 eV
minimum distance =  2.40489093211503 Angstroms
sigma value = 23