Model name: model_name=MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.3602642529751923
mass=26.981538
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: 0.011733846134891314
Energy: 0.17653460397860601
Energy: 0.17653460397860601
Energy: 0.011733846134891314
Energy: 0.17653460397860601
Energy: 0.17653460397860601
Energy: 0.011733846134891314
Energy: 0.17653460397860601
Energy: 0.17653460397745133
Energy: 0.011733846134891314
Energy: 0.17603290561795218
Energy: 0.0123224840891973
Energy: 0.17668939707909112
Energy: 0.17603290561795218
Energy: 0.0123224840891973
Energy: 0.17668939707909112
Energy: 0.17603290561795218
Energy: 0.0123224840891973
Energy: 0.17668939707909112
Energy: 0.17603290561795218
Energy: 0.45086063907018153
Energy: 0.09186101823145805
Energy: 0.2635258680386129
Energy: 0.8908200942455285
Energy: 0.012496275873210247
Energy: 0.35842341288186014
Energy: 0.7397994247879078
Energy: 0.012496275873210247
Energy: 0.35842341288186014
Energy: 0.673728399104591
Energy: 0.17603290561795218
Energy: 0.17668939707909112
Energy: 0.0123224840891973
Energy: 0.17603290561795218
Energy: 0.17668939707909112
Energy: 0.0123224840891973
Energy: 0.17603290561795218
Energy: 0.17668939707909112
Energy: 0.0123224840891973
Energy: 0.17603290561795218
Energy: 0.011733846134891314
Energy: 0.17653460397860601
Energy: 0.17653460397860601
Energy: 0.011733846134891314
Energy: 0.17653460397860601
Energy: 0.17653460397860601
Energy: 0.011733846134891314
Energy: 0.17653460397860601
Energy: 0.17653460397860601
Energy: 0.011733846134891314
Energy: 0.17603290561795218
Energy: 0.0123224840891973
Energy: 0.17668939707909112
Energy: 0.17603290561795218
Energy: 0.0123224840891973
Energy: 0.17668939707909112
Energy: 0.17603290561795218
Energy: 0.0123224840891973
Energy: 0.17668939707909112
Energy: 0.17603290561795218
Energy: 0.5971382502103594
Energy: 0.2636091487536128
Energy: 0.3578721258606898
Energy: 0.5971382502115141
Energy: 0.18151211811957488
Energy: 0.3578721258606898
Energy: 0.5971382502103594
Energy: 0.09186101823145805
Energy: 0.3578721258595351
Energy: 0.5971382502103594

minimum gb energy = 0.011733846134891314 eV
minimum distance =  2.40316751862774 Angstroms
sigma value = 3


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

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Energy: 0.6690176172632507
Energy: 0.6707029452937784
Energy: 0.5167044609842485
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Energy: 0.5795547983346345
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Energy: 0.6635220063201495
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Energy: 0.5721331856955485
Energy: 0.5167044609836828
Energy: 0.6690176172643821
Energy: 0.6707029452934956
Energy: 0.5367403918843652
Energy: 0.6690176172632507
Energy: 0.6707029452943442
Energy: 0.5167044609834001
Energy: 0.6690176172618365
Energy: 0.6707029452949098
Energy: 0.5367403918837994
Energy: 0.5804299337928928
Energy: 0.5267973063910827
Energy: 0.6412277081790592
Energy: 0.5804299338027668
Energy: 0.5267973063899513
Energy: 0.6412277081773622
Energy: 0.5804299338344456
Energy: 0.5267973063896684
Energy: 0.6412277081793422
Energy: 0.5804299338169091
Energy: 0.6114962471248147
Energy: 0.6665439623322269
Energy: 0.6648582849485284
Energy: 0.6159951535302829
Energy: 0.666543962331944
Energy: 0.6648582849471141
Energy: 0.6114962471205719
Energy: 0.6665439623310955
Energy: 0.6648582849485284
Energy: 0.6159951535308485
Energy: 0.6746082435829494
Energy: 0.6017715207462058
Energy: 0.5172458520971658
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Energy: 0.601771520497429
Energy: 0.5172458520960345
Energy: 0.674608243579838
Energy: 0.6017715196755529
Energy: 0.5172458520963172
Energy: 0.6746082435832322

minimum gb energy = 0.49765454337008597 eV
minimum distance =  2.5114679477762 Angstroms
sigma value = 75


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

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Energy: 0.49309169188025964
Energy: 0.49347330200579664
Energy: 0.5738088386174842
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minimum gb energy = 0.489125007233856 eV
minimum distance =  2.50659285780098 Angstroms
sigma value = 105


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

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Energy: 0.6279906269402807
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Energy: 0.6826243752811005
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Energy: 0.6300582754468362
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Energy: 0.6300582754455907
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Energy: 0.6296400198607986
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Energy: 0.6159369914678964
Energy: 0.6251315500696634
Energy: 0.6355345974140644
Energy: 0.6159369914650938
Energy: 0.6250143147686952
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Energy: 0.6159369914674436
Energy: 0.6251315500694936
Energy: 0.6355345975169411
Energy: 0.615936991466198
Energy: 0.7213883989098974
Energy: 0.624710976876277
Energy: 0.5901042471384268
Energy: 0.7213883989088217
Energy: 0.6248764299681169
Energy: 0.5901042471373511
Energy: 0.7213883989088217
Energy: 0.6247109768768996
Energy: 0.5901042471379738
Energy: 0.7213883989092745
Energy: 0.5818036731140884
Energy: 0.6391187097460602
Energy: 0.5671776622371698
Energy: 0.5818036731150225
Energy: 0.6391187097469945
Energy: 0.5671776622353013
Energy: 0.5818036731155037
Energy: 0.6391187097476172
Energy: 0.5671776622359243
Energy: 0.5818036731134655
Energy: 0.6582439854979388
Energy: 0.6738780078688806
Energy: 0.6161536883546707
Energy: 0.6582439854973159
Energy: 0.6741236819197771
Energy: 0.6161536883545292
Energy: 0.6582439854984201
Energy: 0.6738780078693619
Energy: 0.6161536883551519
Energy: 0.6582439854977972
Energy: 0.6764364186622409
Energy: 0.6412131729082832
Energy: 0.6269252103657087
Energy: 0.6764364186630053
Energy: 0.6495664692122829
Energy: 0.6269252103753622
Energy: 0.676436418663628
Energy: 0.6412131729070376
Energy: 0.6269252103720784
Energy: 0.6764364186641093
Energy: 0.6608517862791288
Energy: 0.6005381613687567
Energy: 0.6504247607918113
Energy: 0.6608517862780247
Energy: 0.6005056496241934
Energy: 0.65042476079133
Energy: 0.6608517862800629
Energy: 0.600538161367681
Energy: 0.6504247607918113
Energy: 0.6608517862792702

minimum gb energy = 0.5619765819690298 eV
minimum distance =  2.5030558381869 Angstroms
sigma value = 165


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

Energy: 0.5957370530543884
Energy: 0.6222643623979129
Energy: 0.6574713149957877
Energy: 0.5734162181121472
Energy: 0.622264362398982
Energy: 0.657471314992046
Energy: 0.5957370530543884
Energy: 0.6222643623973785
Energy: 0.6574713149556979
Energy: 0.5734162181121472
Energy: 0.6796333509432024
Energy: 0.5739967756977684
Energy: 0.6941119896714667
Energy: 0.679633350905275
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Energy: 0.6796333509490823
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Energy: 0.6941119896703976
Energy: 0.6796333509170347
Energy: 0.6255060385190645
Energy: 0.6643392166022947
Energy: 0.5818884180777735
Energy: 0.6255060385185298
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Energy: 0.7021006240035549
Energy: 0.7183008999120599
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Energy: 0.6177340352702089
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Energy: 0.6177340352734162
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Energy: 0.6720881290791025
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Energy: 0.6720881290801716
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Energy: 0.6720881290791025
Energy: 0.6273396616646656
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Energy: 0.6273396616641311
Energy: 0.7182654979908119
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Energy: 0.6273396616652002
Energy: 0.6109737135959526
Energy: 0.747398980976002
Energy: 0.7185593168513134
Energy: 0.5883141651254918
Energy: 0.7473989809743985
Energy: 0.7185593168518479
Energy: 0.6109737135959526
Energy: 0.7473989809915034
Energy: 0.7185593168513134
Energy: 0.5883141651260264
Energy: 0.6250169936674688
Energy: 0.6170028498084734
Energy: 0.6892901119805027
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Energy: 0.6170028498090078
Energy: 0.651758474552141
Energy: 0.6250169936680031
Energy: 0.6170028498084734
Energy: 0.6892901119815718
Energy: 0.6171095329144805
Energy: 0.6994405959315481
Energy: 0.5797362483746503
Energy: 0.6997769633000247
Energy: 0.6994405959315481
Energy: 0.5797362483751849
Energy: 0.6997769632994902
Energy: 0.6994405959315481
Energy: 0.5797362483757195
Energy: 0.6997769633005593
Energy: 0.6994405959310136
Energy: 0.6469232633893759
Energy: 0.5817701416333672
Energy: 0.6539331869567073
Energy: 0.6469232633904449
Energy: 0.5817701416322981
Energy: 0.6539331871239423
Energy: 0.6469232633899104
Energy: 0.5817701416322981
Energy: 0.6539331868942158
Energy: 0.6469232633893759
Energy: 0.652042833510397
Energy: 0.6557493533815056
Energy: 0.5812348184237374
Energy: 0.6520428335109316
Energy: 0.6557493533815056
Energy: 0.581234818423203
Energy: 0.652042833510397
Energy: 0.65574935338204
Energy: 0.5812348184221339
Energy: 0.652042833510397
Energy: 0.5734162181132163
Energy: 0.6222643623979129
Energy: 0.6574713149760101
Energy: 0.5734162181121472
Energy: 0.622264362398982
Energy: 0.6574713149770791
Energy: 0.5734162181132163
Energy: 0.6222643623979129
Energy: 0.6574713149808208
Energy: 0.5734162181121472

minimum gb energy = 0.5734162181121472 eV
minimum distance =  2.5831849613748 Angstroms
sigma value = 41


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

Energy: 0.6547819384498565
Energy: 0.5994948952327354
Energy: 0.6002463761604391
Energy: 0.6260851503029646
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Energy: 0.6002463761594209
Energy: 0.6547819384492155
Energy: 0.5994948952306616
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Energy: 0.5985113020174165
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Energy: 0.6042739524948654
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Energy: 0.6257453114083152
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Energy: 0.6742266804333856
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Energy: 0.6569549777501077
Energy: 0.6233251142819612
Energy: 0.6158565803157738
Energy: 0.6296636884379091
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Energy: 0.6158565803172444
Energy: 0.6569549777498814
Energy: 0.6233251142836204
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Energy: 0.629663688435835
Energy: 0.6092269489932143
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Energy: 0.6023468460704771
Energy: 0.5974853565624982
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Energy: 0.59748535656148
Energy: 0.6114097737662741
Energy: 0.6369213328221063
Energy: 0.5383330305331212
Energy: 0.6208299281572892
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Energy: 0.5383330305298029
Energy: 0.6208299281583072
Energy: 0.6369213328262542
Energy: 0.5383330305312359
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Energy: 0.6369213328258394
Energy: 0.6001755281500979
Energy: 0.575222584059684
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Energy: 0.5752225840584396
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Energy: 0.6001755281477976
Energy: 0.5752225840588544
Energy: 0.6408362687855682
Energy: 0.6001755281484388
Energy: 0.5337573641938844
Energy: 0.6178198663880247
Energy: 0.608802229520696
Energy: 0.5337573641940728
Energy: 0.6206169044049651
Energy: 0.6036071717849911
Energy: 0.5337573641936582
Energy: 0.6178198663907017
Energy: 0.6088022295225815
Energy: 0.5337573641932433
Energy: 0.5600364008628089
Energy: 0.555401328810482
Energy: 0.5554173987463645
Energy: 0.56003640086345
Energy: 0.5554270528615641
Energy: 0.5555219963432307
Energy: 0.5600364008646943
Energy: 0.5554013288098409
Energy: 0.5554173987488532
Energy: 0.5600364008611496
Energy: 0.5403823129533566
Energy: 0.5642508678905699
Energy: 0.5545226194936879
Energy: 0.540382312954601
Energy: 0.5643411064459153
Energy: 0.5545226194594491
Energy: 0.5403823129550158
Energy: 0.5642508678897403
Energy: 0.5545226194522093
Energy: 0.5403823129527157
Energy: 0.6254430075576757
Energy: 0.5553220254502895
Energy: 0.5839299770267314
Energy: 0.6254430075576757
Energy: 0.5553277414259382
Energy: 0.5839299770260905
Energy: 0.6254430075585052
Energy: 0.5553220254519486
Energy: 0.5839299770281643
Energy: 0.6254430075578643
Energy: 0.6672378203252537
Energy: 0.6072919978754803
Energy: 0.5494050248924008
Energy: 0.6672378203235946
Energy: 0.6072919978740475
Energy: 0.5494050248924008
Energy: 0.6672378203233682
Energy: 0.6072919978746507
Energy: 0.549405024891986
Energy: 0.6672378203266867

minimum gb energy = 0.5335918740798691 eV
minimum distance =  2.58706956537853 Angstroms
sigma value = 185


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

Energy: 0.5555405263979204
Energy: 0.3404359573030129
Energy: 0.34049470773918866
Energy: 0.4397918072033157
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Energy: 0.4718595430301106
Energy: 0.3353499748364976
Energy: 0.4833069404826997
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Energy: 0.4364340892758973
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Energy: 0.40816751867520057
Energy: 0.38539235642401765
Energy: 0.33537346555952197
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Energy: 0.40950048979074843
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Energy: 0.3404359573030129
Energy: 0.34049470773894247
Energy: 0.3866441030997668
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Energy: 0.3353499748360052
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Energy: 0.3503904564797862
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Energy: 0.3948942240320011
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Energy: 0.3411030324916713
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Energy: 0.424280878398467
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Energy: 0.43612023070879985
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Energy: 0.4176780146979991
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Energy: 0.49467161750512056
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Energy: 0.4128380722514182
Energy: 0.4228061608004301
Energy: 0.42952788062264663
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Energy: 0.4946716175048743
Energy: 0.4188037249175494
Energy: 0.4128380722514182
Energy: 0.3411030324936409
Energy: 0.4113277920797938
Energy: 0.48651582610428096
Energy: 0.3411030324916713
Energy: 0.39766877438491766
Energy: 0.48651582610551186
Energy: 0.3411030324916713
Energy: 0.4113277920807786
Energy: 0.4865158261040347
Energy: 0.3411030324924099
Energy: 0.41036398498325694
Energy: 0.4095611612606598
Energy: 0.34874256853018276
Energy: 0.41036398498276455
Energy: 0.40377724657919295
Energy: 0.34874256853018276
Energy: 0.4103639849830107
Energy: 0.409561161262137
Energy: 0.3487425685306751
Energy: 0.41036398498374926
Energy: 0.4025519988717747
Energy: 0.4135915369631664
Energy: 0.341114858829861
Energy: 0.4182934452873281
Energy: 0.40219647055173574
Energy: 0.3411148588281376
Energy: 0.40255199887054377
Energy: 0.41359153696218176
Energy: 0.341114858829861
Energy: 0.4182934452858509
Energy: 0.40816751867593914
Energy: 0.38539235642352526
Energy: 0.33537346555952197
Energy: 0.40950048978951764
Energy: 0.38685031379173257
Energy: 0.33537346555902964
Energy: 0.40816751867544676
Energy: 0.38539235642352526
Energy: 0.33537346555902964
Energy: 0.40950048979025616
Energy: 0.4010305697849875
Energy: 0.48589035584978835
Energy: 0.35162573218661203
Energy: 0.4001574766588469
Energy: 0.4858903558483112
Energy: 0.35162573218710436
Energy: 0.40103056978474133
Energy: 0.48589035584806506
Energy: 0.35162573218562726
Energy: 0.4001574766595854

minimum gb energy = 0.3353499748345281 eV
minimum distance =  2.64872394099239 Angstroms
sigma value = 33


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

Energy: 0.5610237748316871
Energy: 0.578833398654717
Energy: 0.5747753489993054
Energy: 0.5420140540832102
Energy: 0.578833398654717
Energy: 0.5747753489993054
Energy: 0.5610237748330386
Energy: 0.578833398654717
Energy: 0.5747753489993054
Energy: 0.5420140540832102
Energy: 0.567417081910477
Energy: 0.5111209012020707
Energy: 0.5675333924043564
Energy: 0.5674170819091255
Energy: 0.511120901203422
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Energy: 0.5675333924043564
Energy: 0.567417081910477
Energy: 0.5570793461671115
Energy: 0.5224669152089219
Energy: 0.5398847146274326
Energy: 0.5625578316340996
Energy: 0.5224669152075704
Energy: 0.5402670481803176
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Energy: 0.5396011180789383
Energy: 0.5599967353398296
Energy: 0.5773811205358517
Energy: 0.5113107701461159
Energy: 0.5959861844667692
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Energy: 0.5773811205345002
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Energy: 0.5665399500209033
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Energy: 0.5673509140659
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Energy: 0.5426256344639967
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Energy: 0.5111882848284853
Energy: 0.5887551828415022
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Energy: 0.5518184866467886
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Energy: 0.5423999304268644
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Energy: 0.5518184866481401
Energy: 0.5758619781311988
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Energy: 0.5654379123142792
Energy: 0.5660555801665395
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Energy: 0.566055580167891
Energy: 0.5111972214048719
Energy: 0.5654379123142792
Energy: 0.5660555801692425
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Energy: 0.5955368231026409
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Energy: 0.5840793219413978
Energy: 0.6271310909966681
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Energy: 0.5955368231026409
Energy: 0.6271310909980196
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Energy: 0.556109698498683
Energy: 0.5648610809260372
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Energy: 0.5814587582948989
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Energy: 0.5556832315350885
Energy: 0.5674743393746445
Energy: 0.5302060013340391

minimum gb energy = 0.5032719354824082 eV
minimum distance =  2.50281885825643 Angstroms
sigma value = 219


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

Energy: 0.5895067188819619
Energy: 0.6749381041667504
Energy: 0.6760504050994606
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Energy: 0.7171106603071611
Energy: 0.6750266781626297
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Energy: 0.7171106603071611
Energy: 0.6750266781617352
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Energy: 0.6221023920135487
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Energy: 0.6922225811912546
Energy: 0.6221023920144431
Energy: 0.6239720554429614
Energy: 0.6922225811912546
Energy: 0.6221023920135487

minimum gb energy = 0.5874923875848731 eV
minimum distance =  2.5756602167007 Angstroms
sigma value = 15


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

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Energy: 0.730494753526589
Energy: 0.7121639397861812
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minimum gb energy = 0.6219817079241964 eV
minimum distance =  2.50143412105234 Angstroms
sigma value = 293


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

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Energy: 0.7019681751784109
Energy: 0.6618326680465515
Energy: 0.6988466896478734
Energy: 0.6039862499052573
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Energy: 0.6039862499054593
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Energy: 0.6039862499056614
Energy: 0.6618326680461475
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Energy: 0.6167820570601306
Energy: 0.5962395372090047
Energy: 0.6159875147681091
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Energy: 0.6446522554689733
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Energy: 0.6809101014629296
Energy: 0.654565515857371
Energy: 0.6623791772292728
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Energy: 0.6809101014621216
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Energy: 0.6623791772290706
Energy: 0.6809101014629296
Energy: 0.6235402384932502
Energy: 0.6028738923193113
Energy: 0.6188647576893422
Energy: 0.6235402384930482
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Energy: 0.6188647576899484
Energy: 0.623540238492038
Energy: 0.6028738923189072
Energy: 0.6188647576887363
Energy: 0.62354023849224
Energy: 0.6762829707708855
Energy: 0.6352537615125844
Energy: 0.6351711147961496
Energy: 0.6762829707712896
Energy: 0.6352537615123824
Energy: 0.6351711147965536
Energy: 0.6762829707714917
Energy: 0.6352537615127866
Energy: 0.6351711147961496
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Energy: 0.6235413551818355
Energy: 0.6058971276470358
Energy: 0.6028684902530834
Energy: 0.6235413551816334
Energy: 0.6058971276466318
Energy: 0.6028684902524772
Energy: 0.6235413551816334
Energy: 0.6058971276462277
Energy: 0.6028684902520732
Energy: 0.6235413551816334
Energy: 0.6809667387169783
Energy: 0.6625726484351494
Energy: 0.6545338555834472
Energy: 0.6809667387175845
Energy: 0.6625726484343413
Energy: 0.6545338555838512
Energy: 0.6809667387165743
Energy: 0.6625726484347454
Energy: 0.6545338555834472
Energy: 0.6809667387169783
Energy: 0.701968175179017
Energy: 0.6848140149543317
Energy: 0.602599387698975
Energy: 0.701968175179017
Energy: 0.6848140149557459
Energy: 0.6025993876993792
Energy: 0.7019681751788149
Energy: 0.6848140149553419
Energy: 0.6025993876999852
Energy: 0.7019681751784109
Energy: 0.6618326680471577
Energy: 0.6988466896474693
Energy: 0.6039862499056614
Energy: 0.6618326680467536
Energy: 0.6988466896464594
Energy: 0.6039862499050553
Energy: 0.6618326680467536
Energy: 0.6988466896470653
Energy: 0.6039862499054593
Energy: 0.6618326680465515

minimum gb energy = 0.5962395372079946 eV
minimum distance =  2.51152518371393 Angstroms
sigma value = 293


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

Energy: 0.5944069942842125
Energy: 0.5945032339915272
Energy: 0.5944938535868847
Energy: 0.5944069942845777
Energy: 0.5945032339918923
Energy: 0.5944938535872498
Energy: 0.5944069942842125
Energy: 0.5945032339915272
Energy: 0.5944938535868847
Energy: 0.5944069942845777
Energy: 0.6102564902789656
Energy: 0.594659411289448
Energy: 0.6104683252291419
Energy: 0.6102564902786004
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Energy: 0.610468325229507
Energy: 0.6102564902789656
Energy: 0.594659411289448
Energy: 0.610468325229507
Energy: 0.6102564902786004
Energy: 0.5942563578052539
Energy: 0.5941442887111029
Energy: 0.6583785456533935
Energy: 0.594256357805619
Energy: 0.594144288711468
Energy: 0.6583785456515677
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Energy: 0.5941442887111029
Energy: 0.6583785456522979
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Energy: 0.658527749777531
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Energy: 0.5942561558013297
Energy: 0.6585277497768006
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Energy: 0.658527749777531
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Energy: 0.6102929064107059
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Energy: 0.594493853587615
Energy: 0.5944069942845777
Energy: 0.5945032339915272
Energy: 0.5944938535868847
Energy: 0.5944069942845777
Energy: 0.5945032339918923
Energy: 0.594493853587615
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Energy: 0.5945032339911619
Energy: 0.594659411289448
Energy: 0.610468325229507
Energy: 0.6102564902789656
Energy: 0.5946594112890828
Energy: 0.610468325229872
Energy: 0.6102564902786004
Energy: 0.594659411289448
Energy: 0.610468325229507
Energy: 0.6102564902789656
Energy: 0.594659411289448
Energy: 0.5941442887111029
Energy: 0.6583785456519329
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Energy: 0.5941442887111029
Energy: 0.6583785456526631
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Energy: 0.594144288711468
Energy: 0.6583785456533935
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Energy: 0.5941442887107377
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Energy: 0.5942561558013297
Energy: 0.6585277497764356
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Energy: 0.5942561558009646
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Energy: 0.5942561558013297
Energy: 0.6585277497757053
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Energy: 0.5946528976759904
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Energy: 0.6102564902786004
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Energy: 0.6102564902789656
Energy: 0.5946594112890828
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Energy: 0.6102564902786004
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Energy: 0.6583785456526631
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Energy: 0.5941442887111029
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Energy: 0.5941442887107377
Energy: 0.6583785456526631
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Energy: 0.5941442887111029
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Energy: 0.5942561558013297
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Energy: 0.5941531790216888
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Energy: 0.6102929064107059
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Energy: 0.5946528976759904
Energy: 0.6102929064107059
Energy: 0.6105008628831329
Energy: 0.5946528976763555
Energy: 0.610292906411071
Energy: 0.6105008628831329
Energy: 0.5946528976759904
Energy: 0.6102929064103407
Energy: 0.5944069942842125
Energy: 0.5945032339915272
Energy: 0.5944938535872498
Energy: 0.5944069942845777
Energy: 0.5945032339918923
Energy: 0.5944938535872498
Energy: 0.5944069942842125
Energy: 0.5945032339911619
Energy: 0.5944938535868847
Energy: 0.5944069942845777
Energy: 0.6102564902789656
Energy: 0.594659411289448
Energy: 0.610468325229507
Energy: 0.6102564902782353
Energy: 0.594659411289448
Energy: 0.610468325229872
Energy: 0.6102564902786004
Energy: 0.594659411289448
Energy: 0.610468325229872
Energy: 0.6102564902786004
Energy: 0.5942563578052539
Energy: 0.5941442887111029
Energy: 0.6583785456512026
Energy: 0.594256357805619
Energy: 0.5941442887111029
Energy: 0.6583785456522979
Energy: 0.594256357805619
Energy: 0.5941442887107377
Energy: 0.6583785456522979
Energy: 0.594256357805619
Energy: 0.6585277497764356
Energy: 0.5941531790213236
Energy: 0.5942561558013297
Energy: 0.6585277497768006
Energy: 0.5941531790213236
Energy: 0.5942561558013297
Energy: 0.6585277497764356
Energy: 0.5941531790216888
Energy: 0.5942561558013297
Energy: 0.6585277497764356
Energy: 0.6105008628831329
Energy: 0.5946528976763555
Energy: 0.610292906411071
Energy: 0.6105008628834979
Energy: 0.5946528976759904
Energy: 0.6102929064099756
Energy: 0.6105008628831329
Energy: 0.5946528976759904
Energy: 0.610292906411071
Energy: 0.6105008628834979
Energy: 0.5945032339915272
Energy: 0.594493853587615
Energy: 0.5944069942845777
Energy: 0.5945032339911619
Energy: 0.5944938535872498
Energy: 0.5944069942845777
Energy: 0.5945032339918923
Energy: 0.594493853587615
Energy: 0.5944069942845777
Energy: 0.5945032339911619
Energy: 0.594659411289448
Energy: 0.610468325229872
Energy: 0.6102564902786004
Energy: 0.594659411289448
Energy: 0.610468325229507
Energy: 0.6102564902786004
Energy: 0.594659411289448
Energy: 0.610468325229872
Energy: 0.6102564902786004
Energy: 0.594659411289448

minimum gb energy = 0.5941442887107377 eV
minimum distance =  2.59911157824079 Angstroms
sigma value = 15


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

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Energy: 0.6780904736158667
Energy: 0.6764445880554908
Energy: 0.6382593403353904
Energy: 0.6780904735960038
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Energy: 0.6377507900051108
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Energy: 0.6788132014457172
Energy: 0.6377507900051108
Energy: 0.6093958187466736
Energy: 0.6788132014457172
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Energy: 0.609396314815871
Energy: 0.6901808781788347
Energy: 0.5949635791248135
Energy: 0.6365437935585709
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Energy: 0.5949635791264686
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Energy: 0.5949635791248135
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Energy: 0.6901808781804899
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Energy: 0.6043303796253839
Energy: 0.7082189410180482
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Energy: 0.7083192785140592
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Energy: 0.7080495245164874
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Energy: 0.725565717655554
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Energy: 0.6351160430561509
Energy: 0.7262062803003354
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Energy: 0.6351160430578061
Energy: 0.7262062803019906
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Energy: 0.6161611091312716
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Energy: 0.6005822246292701
Energy: 0.6161611091329269
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Energy: 0.6161611091296164
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Energy: 0.6489336474848632
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Energy: 0.6813913817925372
Energy: 0.6390056319508848
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Energy: 0.6489336474286153
Energy: 0.6816879592338603
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Energy: 0.639005598948539
Energy: 0.5960566908118843
Energy: 0.7121837245593858
Energy: 0.602742079532556
Energy: 0.5960566908102289
Energy: 0.7121837246454279
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Energy: 0.726554378262448
Energy: 0.6102240754219537
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Energy: 0.7265543782607927
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Energy: 0.7265543782607927
Energy: 0.6102240754202984
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Energy: 0.7265543782591375
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Energy: 0.6932230729546768
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Energy: 0.5992439396780126
Energy: 0.5971272147517324
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Energy: 0.6673708170776791
Energy: 0.6023258123470275
Energy: 0.6657827945804387
Energy: 0.6673708162835268
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Energy: 0.6657827948418455
Energy: 0.667370815790477
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Energy: 0.6657827949262326
Energy: 0.6698607201353151
Energy: 0.6473721864216739
Energy: 0.5954523826848643
Energy: 0.6698597760022392
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Energy: 0.6698609008945725
Energy: 0.6473721864249844
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Energy: 0.6698594776592256
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Energy: 0.6099030646488832
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Energy: 0.61605756666415
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Energy: 0.6434862615951336
Energy: 0.6304086251447479
Energy: 0.630429509274852
Energy: 0.6434862615951336
Energy: 0.6303834606304319
Energy: 0.6304650671779434
Energy: 0.6434862615918231
Energy: 0.6304086529089323
Energy: 0.630429509056451
Energy: 0.6434862615934783
Energy: 0.6718901196048347
Energy: 0.5969788037494975
Energy: 0.6362907780197268
Energy: 0.6717899688573888
Energy: 0.5969788037478423
Energy: 0.6362907780197268
Energy: 0.6712493185579378
Energy: 0.5969788037478423
Energy: 0.6362907780180714
Energy: 0.6701351413660886
Energy: 0.6400399323853616
Energy: 0.6722477101193898
Energy: 0.639102973681004
Energy: 0.6400399323870168
Energy: 0.6722477101193898
Energy: 0.6391029739837917
Energy: 0.6400399323870168
Energy: 0.6722477101227003
Energy: 0.6391029732640648
Energy: 0.6400399323903273
Energy: 0.6452188184794849
Energy: 0.5999021478172869
Energy: 0.7083782448542459
Energy: 0.6452188167339928
Energy: 0.5999024813714241
Energy: 0.7083781991420013
Energy: 0.6452188181915941
Energy: 0.5999021478172869
Energy: 0.7083781868126564
Energy: 0.645218817215456
Energy: 0.6029136976247974
Energy: 0.603446746295545
Energy: 0.6452392162807961
Energy: 0.6029136976247974
Energy: 0.6034467462972002
Energy: 0.6452392162807961
Energy: 0.6029136976264526
Energy: 0.603446746295545
Energy: 0.6452392162807961
Energy: 0.6029136976214868
Energy: 0.6713758793157231
Energy: 0.6312632565833404
Energy: 0.6096875730424126
Energy: 0.6713758793157231
Energy: 0.6312632565849956
Energy: 0.6096866292286469
Energy: 0.6713758793157231
Energy: 0.6312632565849956
Energy: 0.6096875730407574
Energy: 0.6713758793157231
Energy: 0.5959055424185884
Energy: 0.5919013922563845
Energy: 0.6156664818996771
Energy: 0.5959055424185884
Energy: 0.5919013922563845
Energy: 0.6156664239341982
Energy: 0.5959055424185884
Energy: 0.5919013922547293
Energy: 0.6156664414123519
Energy: 0.5959055424169332
Energy: 0.6204556310028643
Energy: 0.668433737042782
Energy: 0.6876998137269049
Energy: 0.6203595724517017
Energy: 0.6684337370411269
Energy: 0.6876998137269049
Energy: 0.620455631001209
Energy: 0.6684337370444373
Energy: 0.6876998137269049
Energy: 0.6203595724533569

minimum gb energy = 0.5919013922547293 eV
minimum distance =  2.51616642526657 Angstroms
sigma value = 437


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

Energy: 0.5782592168511205
Energy: 0.579750937485221
Energy: 0.5796675055827455
Energy: 0.5782592168505174
Energy: 0.579750937484015
Energy: 0.5796675055821425
Energy: 0.5782592168505174
Energy: 0.579750937484618
Energy: 0.5796675055827455
Energy: 0.5782592168505174
Energy: 0.6707176379624756
Energy: 0.5722277233449911
Energy: 0.5811938882433235
Energy: 0.6707176379624756
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Energy: 0.5811938882445296
Energy: 0.670717637961297
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Energy: 0.5811938882433235
Energy: 0.6707176379630787
Energy: 0.6806074238329265
Energy: 0.5622566953741692
Energy: 0.6340221826179447
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Energy: 0.5622566953741692
Energy: 0.6342523331250548
Energy: 0.6806074238329265
Energy: 0.5622566953741692
Energy: 0.6342530281534773
Energy: 0.670005314285392
Energy: 0.6437139780943824
Energy: 0.6906574271711792
Energy: 0.644862321123785
Energy: 0.6437139780943824
Energy: 0.6906574271711792
Energy: 0.6448623211225789
Energy: 0.6437139780943824
Energy: 0.6906574271711792
Energy: 0.644862321123785
Energy: 0.6437139780937793
Energy: 0.6468653888982271
Energy: 0.5826009412045836
Energy: 0.787863536845649
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Energy: 0.646865388897624
Energy: 0.5826009412045836
Energy: 0.787863536845649
Energy: 0.6468653888982271
Energy: 0.6489437286182579
Energy: 0.6910665593431511
Energy: 0.5729707604552132
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Energy: 0.691066559344357
Energy: 0.5729707604558161
Energy: 0.6489437286176549
Energy: 0.6910665593431511
Energy: 0.5729707604552132
Energy: 0.6489437286182579
Energy: 0.6524524231988144
Energy: 0.5885981065751524
Energy: 0.5622209224103414
Energy: 0.6524524244730476
Energy: 0.5885981065757556
Energy: 0.5622209224103414
Energy: 0.6524524228190688
Energy: 0.5885981065751524
Energy: 0.5622209224103414
Energy: 0.6524524273862116
Energy: 0.6314733061408637
Energy: 0.7015363536656967
Energy: 0.6245880104542537
Energy: 0.6314733061408637
Energy: 0.7015363536656967
Energy: 0.6245880104536508
Energy: 0.6314733061414667
Energy: 0.7015363536650936
Energy: 0.6245880104548568
Energy: 0.6314733061414667
Energy: 0.6548153519931901
Energy: 0.5807398317214761
Energy: 0.5821049236735637
Energy: 0.6548153519937931
Energy: 0.5807398317214761
Energy: 0.5821049236735637
Energy: 0.6548153519931901
Energy: 0.5807398317214761
Energy: 0.5821049236741669
Energy: 0.6548153519937931
Energy: 0.6279862620635401
Energy: 0.6455880815795387
Energy: 0.6516891733317048
Energy: 0.6279862620629372
Energy: 0.6455880815795387
Energy: 0.651692972379352
Energy: 0.6279862620629372
Energy: 0.6455880815801418
Energy: 0.6516891470373303
Energy: 0.6279862620629372
Energy: 0.564623318557082
Energy: 0.567960143175456
Energy: 0.6135864388459132
Energy: 0.5646233185576852
Energy: 0.567960143175456
Energy: 0.6135864388465164
Energy: 0.5646233185607004
Energy: 0.567960143175456
Energy: 0.6135864388459132
Energy: 0.564623318557082
Energy: 0.6469638383555154
Energy: 0.5746158796332564
Energy: 0.5824607717931058
Energy: 0.6469638383561184
Energy: 0.5746158796332564
Energy: 0.5824607717931058
Energy: 0.6469638383555154
Energy: 0.5746158796332564
Energy: 0.5824607717937088
Energy: 0.6469638383555154
Energy: 0.5820768012497095
Energy: 0.6159503876639517
Energy: 0.582151123960813
Energy: 0.5820768012491064
Energy: 0.6159503876639517
Energy: 0.582151123960813
Energy: 0.5820768012497095
Energy: 0.6159503876639517
Energy: 0.5821511239614161
Energy: 0.5820768012491064
Energy: 0.5783475408257291
Energy: 0.5880027973930333
Energy: 0.6245362608905424
Energy: 0.5783475408275383
Energy: 0.5880027973930333
Energy: 0.6245362608929544
Energy: 0.5783475408269353
Energy: 0.5880027973936364
Energy: 0.6245362608911454
Energy: 0.5783475408269353

minimum gb energy = 0.5622209224103414 eV
minimum distance =  2.53901306887802 Angstroms
sigma value = 33