Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6122690513730054
cohesive_energy=4.26123621847027
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018666148677455564
Energy: 0.4032551680814519
Energy: 0.4032551680828996
Energy: 0.018666148677455564
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Energy: 0.022266090846622965
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Energy: -0.6577751491208194
Energy: 0.25719968463076887
Energy: 0.06410516105694189
Energy: -0.6123826644116795

minimum gb energy = -0.6577751491208194 eV
minimum distance =  2.36759612035207 Angstroms
sigma value = 3


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

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Energy: 0.01734109263829945

minimum gb energy = -1.9110805386385328 eV
minimum distance =  2.34900879094829 Angstroms
sigma value = 75


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

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minimum gb energy = 0.292348747880591 eV
minimum distance =  2.31135306308823 Angstroms
sigma value = 105


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

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Energy: 0.056060159011635004
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Energy: 0.055770811774484536
Energy: 0.3343211092099175
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Energy: 0.5387771021173006
Energy: 0.779820700045551
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Energy: 0.5387760938072478
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Energy: 0.7798206995362725
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Energy: 0.4454450094793797
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Energy: 0.4453735570521355
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Energy: 0.9045619738244605
Energy: 0.4454898475565666
Energy: 0.7270683663066126
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Energy: 0.4069000350631543
Energy: 0.49122733478592445
Energy: 0.8164714748937824
Energy: 0.4069001107914716
Energy: 0.49122733478397246
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Energy: 0.40690008600331956
Energy: 0.4912273347820203
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Energy: 0.4069000819389585
Energy: 0.6446864564025773
Energy: 0.6075236197104893
Energy: 0.7416384613129533
Energy: 0.6393261441632148
Energy: 0.6075236197143935
Energy: 0.7416386932491481
Energy: 0.6447357991903712
Energy: 0.6075236197163456
Energy: 0.7416384662904949
Energy: 0.6394834513316092
Energy: 0.9781841201142104
Energy: 0.2965605264364872
Energy: 1.081490943028774
Energy: 0.9781841202781136
Energy: 0.2965605263603918
Energy: 1.0814909430209658
Energy: 0.9781841207659193
Energy: 0.296560526481385
Energy: 1.081490943026822
Energy: 0.9781841207385904
Energy: 0.3799542368452206
Energy: 0.5015426401256212
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Energy: 0.3799542599455735
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Energy: 0.2426137691610734
Energy: 0.379954267520155
Energy: 0.5015426402309979
Energy: 0.24133298979532558
Energy: 0.3799542763747295

minimum gb energy = -0.19000076290657386 eV
minimum distance =  2.35731908824471 Angstroms
sigma value = 165


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

Energy: 0.8029009738249248
Energy: 0.9666665396171393
Energy: 1.1356106246522069
Energy: 0.9410541387390994
Energy: 0.9666665391107471
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Energy: 0.8029009738215739
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Energy: 0.9410541386620316
Energy: 1.2395334176931294
Energy: 0.9865876277832546
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Energy: 1.2395334176944697
Energy: 0.9138596966263159
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Energy: 0.9138596966283266
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Energy: 1.0000703347902618
Energy: 0.9712965422669282
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Energy: 1.050967384461474
Energy: 0.9732415435941755
Energy: 0.7403322660606984
Energy: 0.7622211067258916
Energy: 0.9732415435908248
Energy: 0.7403320827786886
Energy: 0.7622211067279021
Energy: 0.9732415435888143
Energy: 0.7403320075471251
Energy: 0.7622211067312529
Energy: 0.9732415436002069
Energy: 1.1009331642973912
Energy: 0.9687134518297169
Energy: 1.4570635960314215
Energy: 1.1009331642973912
Energy: 0.968713451829047
Energy: 1.4570635960314215
Energy: 1.1009331642987314
Energy: 0.9687134518283768
Energy: 1.457063596029411
Energy: 1.100933164296721
Energy: 1.1219215801887106
Energy: 1.046430052138939
Energy: 0.7517199026722148
Energy: 1.121921580190051
Energy: 1.0464300521536216
Energy: 0.751719902938144
Energy: 1.1219215801893807
Energy: 1.0464300521676948
Energy: 0.7517199029374738
Energy: 1.121921580190051
Energy: 0.8029009738557518
Energy: 0.9666665389640443
Energy: 1.1356106246528772
Energy: 0.8029009738356472
Energy: 0.9666665389184738
Energy: 1.135610624651537
Energy: 0.8029009738450293
Energy: 0.9666665394938921
Energy: 1.1356106246522069
Energy: 0.8029009738430188

minimum gb energy = 0.7403320075471251 eV
minimum distance =  2.37121855084194 Angstroms
sigma value = 41


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

Energy: 1.4536679787600715
Energy: 0.838313640650905
Energy: 0.838367022748086
Energy: 1.3704515783973839
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Energy: 0.7146452601478352
Energy: 0.8075084571617256
Energy: 0.9647987736819502
Energy: 0.7146452601504354
Energy: 0.8075084475272579
Energy: 1.0109365163056814
Energy: 0.9203514754229146
Energy: 0.647832587347538
Energy: 1.0109365163056814
Energy: 0.9203514754229146
Energy: 0.647832587347538
Energy: 1.0109365163056814
Energy: 0.9203514754229146
Energy: 0.6478325873501382
Energy: 1.0109365163082815
Energy: 1.0504973004473437
Energy: 0.7668439001272954
Energy: 0.756622340429122
Energy: 1.0529857796515822
Energy: 0.7668439001298956
Energy: 0.7566223404239217
Energy: 1.0504973004447438
Energy: 0.7668439001324956
Energy: 0.7566223404239217
Energy: 1.0529857796541824
Energy: 0.8408186845508926
Energy: 0.49302545647964197
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Energy: 0.8408186845482926
Energy: 0.49302545658620045
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Energy: 1.0299640430337094
Energy: 0.7426836657481845
Energy: 0.7739223968006254
Energy: 0.8810332738110384
Energy: 0.7509457870636315
Energy: 0.7182805429824866
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Energy: 0.7509457870454778
Energy: 0.7227692256939566
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Energy: 0.7509457870454778
Energy: 0.7182805429824866
Energy: 0.8810332738162385
Energy: 0.7209600297088671
Energy: 1.0774882722418706
Energy: 0.5495617027682274
Energy: 0.7209600297192676
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Energy: 0.7209600297166675
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Energy: 0.5495352403498874
Energy: 0.7209600297088671
Energy: 0.6377023094225582
Energy: 0.885227791381793
Energy: 0.7940158968556571
Energy: 0.6377023094277583
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Energy: 0.7940158968608575
Energy: 0.6377023094459594
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Energy: 0.7940158968634576
Energy: 0.6377023094407591
Energy: 0.7722326267447568
Energy: 0.825563888192038
Energy: 0.886750270521207
Energy: 0.7722326267473569
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Energy: 0.8867502705238072
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Energy: 0.825563888192038
Energy: 0.886750270521207
Energy: 0.7722326267421566
Energy: 0.8227303925591228
Energy: 0.6451735493952901
Energy: 0.9252875382010377
Energy: 0.8227303925617231
Energy: 0.6451735493952901
Energy: 0.9252875382036377
Energy: 0.8227303925643231
Energy: 0.6451735493952901
Energy: 0.925287538208838
Energy: 0.8227303925565227
Energy: 0.7858535905698671
Energy: 0.8425829785587372
Energy: 1.0700064430209117
Energy: 0.7858535905672672
Energy: 0.8425829785587372
Energy: 1.0609980284406269
Energy: 0.785853590564667
Energy: 0.8425829785613373
Energy: 1.0700064430183116
Energy: 0.7858535905672672
Energy: 0.6398422393318354
Energy: 0.9148908166451262
Energy: 0.764841802287147
Energy: 0.6398422393370357
Energy: 0.9210674504467605
Energy: 0.8539652095623959
Energy: 0.6398422393318354
Energy: 0.9148908166477263
Energy: 0.7648418022949475
Energy: 0.6398422393318354
Energy: 0.7145198518402038
Energy: 0.9001080906225633
Energy: 0.9570858884767244
Energy: 0.7145198518376036
Energy: 0.8760077854210568
Energy: 0.8750249546562797
Energy: 0.7145198518350507
Energy: 0.9001080906251634
Energy: 0.9570858884793245
Energy: 0.7145198518324506
Energy: 0.9727746758662092
Energy: 0.7192410958453672
Energy: 0.852823706590409
Energy: 0.9727746758662092
Energy: 0.7160133119065628
Energy: 0.8528237065930091
Energy: 0.9727746758662092
Energy: 0.7192410958428144
Energy: 0.8528237065878089
Energy: 0.9727746758610561
Energy: 0.9103488748668711
Energy: 0.7232729824549065
Energy: 0.9123338318925113
Energy: 0.9103488748642709
Energy: 0.7327172651610803
Energy: 0.9123338318873112
Energy: 0.9103488748616707
Energy: 0.7232729824523063
Energy: 0.9123338318873112
Energy: 0.9103488748642709
Energy: 0.7529850896589861
Energy: 0.8261186484554688
Energy: 0.7509828890484564
Energy: 0.7529850896563861
Energy: 0.8305910580277822
Energy: 0.7509828890510565
Energy: 0.7529850896563861
Energy: 0.8202470932611579
Energy: 0.7509828890458564
Energy: 0.7529850896563861

minimum gb energy = 0.44910973232615287 eV
minimum distance =  2.32249484530839 Angstroms
sigma value = 185


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

Energy: 0.9767201435027081
Energy: 0.34253637501922957
Energy: 0.3864132196346451
Energy: 0.7018574171157311
Energy: 0.3425363750168165
Energy: 0.3864132196327933
Energy: 0.9767201435002388
Energy: 0.3425363750168165
Energy: 0.38641321963402786
Energy: 0.7018574171151138
Energy: 0.8786523920796812
Energy: 0.3696495976919458
Energy: 0.5516424970113916
Energy: 0.7282514490181362
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Energy: 0.5196234337695247
Energy: 0.8786523920744622
Energy: 0.36964959768728795
Energy: 0.5516424970138607
Energy: 0.7282514490156671
Energy: 0.7041401204874447
Energy: 0.34074362725606344
Energy: 0.42605176095813807
Energy: 0.6008093104898032
Energy: 0.3407436272607213
Energy: 0.5036186236860025
Energy: 0.7041401204859294
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Energy: 0.42605176095600555
Energy: 0.600809310488232
Energy: 0.9286431575303709
Energy: 0.38651278628335484
Energy: 0.5728898677883849
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Energy: 0.6293171700794378
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Energy: 0.5728898677905174
Energy: 0.9286431575291361
Energy: 0.7502271015503208
Energy: 0.326042050013874
Energy: 0.41137573819386375
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Energy: 0.32604205025114175
Energy: 0.4559489677187542
Energy: 0.7502271015500402
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Energy: 0.7502271015536879
Energy: 0.8270995431511484
Energy: 0.6515768467510593
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Energy: 0.573551988836276
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Energy: 0.6515768467498249
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Energy: 0.5238463523819858
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Energy: 0.862856535608387
Energy: 0.2952929775936313
Energy: 0.34656923115234817
Energy: 0.8628565356133254
Energy: 0.40626871679742615
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Energy: 0.2952929775923967
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Energy: 0.5857705923264397
Energy: 0.5351016852353445
Energy: 0.3885435658880731
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Energy: 0.6415849270992738
Energy: 0.3239039208093009
Energy: 0.324949601009435
Energy: 0.4446603334147213
Energy: 0.35884659223675675
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Energy: 0.6415849270955699
Energy: 0.3239039208111528
Energy: 0.32494960309686355
Energy: 0.44466033341315
Energy: 0.754444913323052
Energy: 0.6524073390092431
Energy: 0.35091471238080696
Energy: 0.7544449133233324
Energy: 0.6524073390089064
Energy: 0.3509147123801896
Energy: 0.754444913323052
Energy: 0.6524073390098604
Energy: 0.35091471237895505
Energy: 0.7544449133220978
Energy: 0.7018574171163485
Energy: 0.3425363750174338
Energy: 0.38641321963189534
Energy: 0.6406399706876664
Energy: 0.3425363750168165
Energy: 0.3864132196343645
Energy: 0.701857417113262
Energy: 0.3425363750186123
Energy: 0.3864132196325127
Energy: 0.640639970687947
Energy: 0.7282514490206055
Energy: 0.3696495977132146
Energy: 0.6429230192035733
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Energy: 0.3696495977086129
Energy: 0.5938032552998592
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Energy: 0.3696495977030572
Energy: 0.6429230192026755
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Energy: 0.44506984676581485
Energy: 0.3407436272582521
Energy: 0.3589682280711195
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Energy: 0.34074362725915
Energy: 0.35904683893648087
Energy: 0.4450698467688452
Energy: 0.3407436272570175
Energy: 0.35896822807083895
Energy: 0.4446521913104851
Energy: 0.9286431575300902
Energy: 0.3865127862818396
Energy: 0.5747730304210791
Energy: 0.9286431575282382
Energy: 0.38651278628273755
Energy: 0.5309449919402416
Energy: 0.9286431575276209
Energy: 0.3865127862821202
Energy: 0.5747730304213596
Energy: 0.9286431575279015
Energy: 0.7502271015506574
Energy: 0.32604205057752517
Energy: 0.46478103174145585
Energy: 0.7502271015494228
Energy: 0.3260420506574375
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Energy: 0.7502271015506574
Energy: 0.32604205105419315
Energy: 0.4647810317411752
Energy: 0.7502271015536879
Energy: 0.8270995431499139
Energy: 0.48595287325848546
Energy: 0.6275205208204865
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Energy: 0.5680154258942914
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Energy: 0.8270995431480619
Energy: 0.48595287325848546
Energy: 0.6275205208180172
Energy: 0.8270995431486792
Energy: 0.7484164337314558
Energy: 0.6194540732921787
Energy: 0.6768164813261468
Energy: 0.7484164337292672
Energy: 0.588148604858002
Energy: 0.676816481327662
Energy: 0.7484164337274153
Energy: 0.6194540732940305
Energy: 0.6768164813295139
Energy: 0.7484164337302213
Energy: 0.8628565356096216
Energy: 0.4418805331595389
Energy: 0.3465692311526287
Energy: 0.8628565356148407
Energy: 0.4603692072966388
Energy: 0.34656923115015953
Energy: 0.8628565356129887
Energy: 0.4418805331573502
Energy: 0.34656923114926164
Energy: 0.8628565356271867
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Energy: 0.6255603579622613
Energy: 0.3885435659152343
Energy: 0.6003857779443238
Energy: 0.5798275680420223
Energy: 0.3885435659137191
Energy: 0.5158837565630162
Energy: 0.6255603579592308
Energy: 0.3885435659102959
Energy: 0.6003857779428087
Energy: 0.8632898878843163
Energy: 0.5032719048407852
Energy: 0.32494959998179856
Energy: 0.5606300120046749
Energy: 0.4737556294694609
Energy: 0.32494960113222165
Energy: 0.8632898878840358
Energy: 0.5032719048432543
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Energy: 0.8827085319446035
Energy: 0.6524073390089064
Energy: 0.35091471237833777
Energy: 0.7544449133239498
Energy: 0.6524073390098604
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Energy: 0.8827085319430322
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Energy: 0.7544449133218173
Energy: 0.9767201435017541
Energy: 0.3425363750174338
Energy: 0.3864132196306608
Energy: 0.7018574171157311
Energy: 0.34253637501709705
Energy: 0.38641321963004344
Energy: 0.9767201435002388
Energy: 0.3425363750183317
Energy: 0.3864132196306608
Energy: 0.7018574171151138
Energy: 0.8786523920794005
Energy: 0.36964959772398925
Energy: 0.551642497015432
Energy: 0.728251449029865
Energy: 0.36964959772000483
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Energy: 0.8786523920794005
Energy: 0.36964959772309136
Energy: 0.5516424970135803
Energy: 0.7282514490304822
Energy: 0.7041401204855927
Energy: 0.3407436272570175
Energy: 0.42605176095813807
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Energy: 0.38651278628273755
Energy: 0.5728898677896195
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Energy: 0.6293171700791572
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Energy: 0.3865127862818396
Energy: 0.5728898677905174
Energy: 0.9286431575285189
Energy: 0.7502271015506574
Energy: 0.32604205114639534
Energy: 0.41137573819324647
Energy: 0.7502271015503208
Energy: 0.32604205149814425
Energy: 0.4559489677187542
Energy: 0.7502271015509381
Energy: 0.32604205156941435
Energy: 0.41137573819543505
Energy: 0.7502271015531268
Energy: 0.827099543152383
Energy: 0.6515768467485902
Energy: 0.5272574719132765
Energy: 0.8270995431501945
Energy: 0.5735519888365566
Energy: 0.5815341540132378
Energy: 0.8270995431477252
Energy: 0.6515768467507228
Energy: 0.5272574719095727
Energy: 0.8270995431499139
Energy: 0.7484164337314558
Energy: 0.5238463523819858
Energy: 0.6768164813255294
Energy: 0.748416433729604
Energy: 0.5748442620566163
Energy: 0.6768164813258662
Energy: 0.7484164337274153
Energy: 0.5238463523810319
Energy: 0.6768164813282792
Energy: 0.7484164337292672
Energy: 0.8628565356274672
Energy: 0.2952929775908815
Energy: 0.34656923115324606
Energy: 0.8628565356296559
Energy: 0.4062687167961915
Energy: 0.346569231149879
Energy: 0.8628565356404306
Energy: 0.2952929775923967
Energy: 0.34656923114864435
Energy: 0.8628565356262327
Energy: 0.5857705923285721
Energy: 0.5351016852359617
Energy: 0.3885435659599605
Energy: 0.5410537514099742
Energy: 0.5843949510934688
Energy: 0.38854356595906264
Energy: 0.5857705923285721
Energy: 0.5351016852328753
Energy: 0.3885435659550221
Energy: 0.5410537514096376
Energy: 0.6415849270992738
Energy: 0.3239039208099182
Energy: 0.3249495956422345
Energy: 0.4446603334147213
Energy: 0.35884659223675675
Energy: 0.3249495968559589
Energy: 0.6415849270952333
Energy: 0.3239039208114334
Energy: 0.3249495971922191
Energy: 0.4446603334128694
Energy: 0.7544449133233324
Energy: 0.6524073390082892
Energy: 0.3509147123764858
Energy: 0.754444913323052
Energy: 0.6524073390101409
Energy: 0.35091471237772043
Energy: 0.7544449133214806
Energy: 0.6524073390095236
Energy: 0.35091471237710314
Energy: 0.7544449133220978

minimum gb energy = 0.2952929775908815 eV
minimum distance =  2.36284506901325 Angstroms
sigma value = 33


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

Energy: 0.9561745651609833
Energy: 0.8385422105506326
Energy: 0.8735060401182619
Energy: 0.92088349785401
Energy: 0.8385422105522964
Energy: 0.8735060401216508
Energy: 0.9561745651626778
Energy: 0.8385422105506326
Energy: 0.8735060401199564
Energy: 0.9208834978557046
Energy: 0.8400874850167972
Energy: 0.7201080526006839
Energy: 0.7302235909985935
Energy: 0.8400874850167972
Energy: 0.7201080525989895
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Energy: 0.8400874850151028
Energy: 0.7201080525989895
Energy: 0.7302235909952047
Energy: 0.8400874850151028
Energy: 0.7064325309370012
Energy: 0.759767026348616
Energy: 0.7205965965612708
Energy: 0.7064325309370012
Energy: 0.7597670263520049
Energy: 0.7205965965595764
Energy: 0.7064325309370012
Energy: 0.7597670263503105
Energy: 0.8004996784270972
Energy: 0.7064325309370012
Energy: 0.7943014561312407
Energy: 0.7440011509475631
Energy: 0.9963942848171337
Energy: 0.794301456127852
Energy: 0.7440011509458687
Energy: 0.9963942848187973
Energy: 0.7943014561227687
Energy: 0.7440011509475631
Energy: 0.9963942848204916
Energy: 0.794301456127852
Energy: 0.7194659015730696
Energy: 0.7170393174269792
Energy: 0.7671534774387057
Energy: 0.7194659015730696
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Energy: 0.7671534774387057
Energy: 0.7194659015815416
Energy: 0.7170393174303681
Energy: 0.7671534774404
Energy: 0.7194659015713751
Energy: 0.8029062314383789
Energy: 0.7388920194999984
Energy: 0.7887624640468404
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Energy: 0.7388920194999984
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Energy: 0.8029062314417678
Energy: 0.7247816506316863
Energy: 0.7330759766446183
Energy: 0.8089857990929485
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Energy: 0.8089857897219845
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Energy: 0.7244560155456193
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Energy: 0.8017367890138483
Energy: 0.7540846401763134
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Energy: 0.8017367890121538
Energy: 0.7540846401746191
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Energy: 0.7540846401763134
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Energy: 0.7395009029324164
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Energy: 0.8385488563096278
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Energy: 0.7535277971964969
Energy: 0.838548856323152
Energy: 0.7395009029324164
Energy: 0.7535277971998857
Energy: 0.8385488563417905
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Energy: 0.7201505835013043
Energy: 0.7129727072057808
Energy: 0.8724028090197179
Energy: 0.7201505834996099
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Energy: 0.8724028090146346
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Energy: 0.7129727072040863
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Energy: 0.7201505834996099
Energy: 0.7691579671339898
Energy: 0.7931931859030921
Energy: 0.7367268579254025
Energy: 0.7691579671322955
Energy: 0.7931931858980089
Energy: 0.7581102486712805
Energy: 0.7691579671339898
Energy: 0.7931931858980089
Energy: 0.7367268580202582
Energy: 0.7691579671339898
Energy: 0.7029018046014185
Energy: 0.8207344653794229
Energy: 0.9400959670137137
Energy: 0.7029018046048073
Energy: 0.8024404962841228
Energy: 0.9372594905420286
Energy: 0.7029018046014185
Energy: 0.8207344653794229
Energy: 0.9400959670103249
Energy: 0.7029018046014185
Energy: 0.7613044057376378
Energy: 0.7142007742194553
Energy: 0.752604784281104
Energy: 0.7613044057393322
Energy: 0.7108449327530425
Energy: 0.7519976564149441
Energy: 0.7613044057376378
Energy: 0.7142007742211497
Energy: 0.7526047842794097
Energy: 0.7613044057376378
Energy: 0.7103710525849577
Energy: 0.799906293823936
Energy: 0.7175945294403173
Energy: 0.710371052590041
Energy: 0.7999062942117692
Energy: 0.7175945294369285
Energy: 0.7103710525883465
Energy: 0.7999062943269576
Energy: 0.7175945294386229
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Energy: 0.8139326993080137
Energy: 0.9213865605959438
Energy: 0.7162968261238305

minimum gb energy = 0.6797914012610555 eV
minimum distance =  2.33909996304056 Angstroms
sigma value = 219


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

Energy: 1.2928226923259865
Energy: 1.2953920238088086
Energy: 1.2952709476784527
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Energy: 1.1931539176608863
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Energy: 1.1583132864011108
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Energy: 1.0800695602915695
Energy: 1.0893324003483247
Energy: 1.3107854980263747
Energy: 1.0800695602904482
Energy: 1.0893324003494458

minimum gb energy = 0.9865015374831625 eV
minimum distance =  2.29271821299246 Angstroms
sigma value = 15


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

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Energy: 1.3491292209904622
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minimum gb energy = 1.1701680461545028 eV
minimum distance =  2.29193275083041 Angstroms
sigma value = 293


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

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Energy: 1.293602504787797
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Energy: 1.3172618728375223
Energy: 1.1952294192907251
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Energy: 1.3172618728375223
Energy: 1.195229419292245
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Energy: 1.1952294192907251
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Energy: 1.3172618728360026
Energy: 1.6006769402065941
Energy: 1.4673267808142
Energy: 1.2322086493145203
Energy: 1.6006769402058572
Energy: 1.46732678081572
Energy: 1.2322086493180664
Energy: 1.6006769402055807
Energy: 1.4673267808152135
Energy: 1.2322086493158098
Energy: 1.6006769402071006
Energy: 1.0765455774416126
Energy: 1.3990760067415877
Energy: 1.3481215380793214
Energy: 1.0765455747563712
Energy: 1.399076006739331
Energy: 1.348121538079828
Energy: 1.0765455793415037
Energy: 1.3990760067380414
Energy: 1.3481215380760516
Energy: 1.0765455791004597
Energy: 1.2126189708362056
Energy: 1.2144525606156293
Energy: 1.4068935677418009
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Energy: 1.2144525606161358
Energy: 1.4068935677407877
Energy: 1.2126189708329358
Energy: 1.214452560616412
Energy: 1.4068935677415244
Energy: 1.2126189708364818
Energy: 1.5511444341922456
Energy: 1.329423382537468
Energy: 1.3502076263268554
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Energy: 1.3294233825617843
Energy: 1.3502076263275922
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Energy: 1.5511444341871798
Energy: 1.3961597453002008
Energy: 1.3765741812698469
Energy: 1.3598189123724407
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Energy: 1.359818912373454
Energy: 1.3961597453002008
Energy: 1.5682168152374154
Energy: 1.3451252500416804
Energy: 1.3288237999268575
Energy: 1.5682168152351126
Energy: 1.3451252500391473
Energy: 1.3288237999291141
Energy: 1.5682168152333626
Energy: 1.3451252500391473
Energy: 1.3288237999270878
Energy: 1.568216815234606
Energy: 1.212655065483239
Energy: 1.4069337317057933
Energy: 1.2238203277157498
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Energy: 1.4069337317027537
Energy: 1.2238203277114665
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Energy: 1.2238203277106838
Energy: 1.2126550654756403
Energy: 1.0770238866951314
Energy: 1.3478112262836188
Energy: 1.3991270867122039
Energy: 1.0770238866847233
Energy: 1.3478112262831123
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Energy: 1.0770238866779074
Energy: 1.3478112262836188
Energy: 1.39912708676056
Energy: 1.0770238866368738
Energy: 1.607147471875698
Energy: 1.2309406219789232
Energy: 1.4681056400635086
Energy: 1.607147471875698
Energy: 1.2309406219789232
Energy: 1.4681056400624954
Energy: 1.6071474718728884
Energy: 1.2309406219776338
Energy: 1.4681056400622652
Energy: 1.607147471874178
Energy: 1.334131533441348
Energy: 1.5058227683064218
Energy: 1.2015897589506344
Energy: 1.3341315334400587
Energy: 1.5058227683054086
Energy: 1.2015897589509106
Energy: 1.3341315334390453
Energy: 1.5058227683064218
Energy: 1.2015897589504039
Energy: 1.3341315334405652
Energy: 1.347650816053159
Energy: 1.5514944361800196
Energy: 1.4259604205083416
Energy: 1.3476508160526521
Energy: 1.551494436180526
Energy: 1.4259604205088483
Energy: 1.3476508160523761
Energy: 1.5514944361790062
Energy: 1.4259604205081116
Energy: 1.347650816053389
Energy: 1.6288598077370473
Energy: 1.229831538343019
Energy: 1.234066361173865
Energy: 1.6288598077370473
Energy: 1.229831538343019
Energy: 1.234066361173865
Energy: 1.6288598077368173
Energy: 1.2298315383409928
Energy: 1.2340663611726215
Energy: 1.6288598077365408
Energy: 1.293602504783744
Energy: 1.4258705660696145
Energy: 1.5513507962301003
Energy: 1.2936025047890864
Energy: 1.4258705660691078
Energy: 1.551350796229824
Energy: 1.2936025047867838
Energy: 1.4258705660731605
Energy: 1.5513507962295938
Energy: 1.2936025047867838
Energy: 1.3172618728390422
Energy: 1.1952294192912316
Energy: 1.5059390071033854
Energy: 1.3172618728405618
Energy: 1.195229419292521
Energy: 1.5059390071033854
Energy: 1.3172618728375223
Energy: 1.1952294192907251
Energy: 1.5059390071033854
Energy: 1.3172618728392724
Energy: 1.6006769402081138
Energy: 1.4673267808142
Energy: 1.2322086493140136
Energy: 1.6006769402078833
Energy: 1.4673267808144306
Energy: 1.2322086493140136
Energy: 1.6006769402071006
Energy: 1.46732678081572
Energy: 1.232208649316823
Energy: 1.6006769402068703
Energy: 1.0765455798182033
Energy: 1.3990760067552657
Energy: 1.3481215380790912
Energy: 1.0765455803463448
Energy: 1.3990760067567853
Energy: 1.348121538079828
Energy: 1.076545577230181
Energy: 1.399076006756555
Energy: 1.3481215380801044
Energy: 1.0765455773380381

minimum gb energy = 1.0765455734544847 eV
minimum distance =  2.2028389007893 Angstroms
sigma value = 293


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

Energy: 1.2707656562486105
Energy: 1.4337974762816892
Energy: 1.4338065078858688
Energy: 1.2707656562504417
Energy: 1.433797476279858
Energy: 1.4338065078854112
Energy: 1.2707656562495262
Energy: 1.433797476279858
Energy: 1.4338065078854112
Energy: 1.2707656562508998
Energy: 1.4323224899303997
Energy: 1.4349677622129047
Energy: 1.433873176376739
Energy: 1.4323224899303997
Energy: 1.4349677623854127
Energy: 1.43387317637445
Energy: 1.432322489929942
Energy: 1.434967762340132
Energy: 1.4338731763753656
Energy: 1.4323224899294842
Energy: 1.4323596154862404
Energy: 1.4322887450609738
Energy: 1.4335238341699674
Energy: 1.4323596154866982
Energy: 1.4322887450614317
Energy: 1.4335276870763698
Energy: 1.4323596154853249
Energy: 1.4322887450623472
Energy: 1.4335211438487159
Energy: 1.4323596154853249
Energy: 1.4334496753816444
Energy: 1.43203277028419
Energy: 1.432255006774117
Energy: 1.4334498259952322
Energy: 1.4320327702864788
Energy: 1.4322550067750328
Energy: 1.4334497834047002
Energy: 1.4320327702860212
Energy: 1.4322550067745752
Energy: 1.4334505498886108
Energy: 1.4341633501220077
Energy: 1.4350178930776407
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Energy: 1.4341633501229234
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Energy: 1.434163350123381
Energy: 1.4350178931270416
Energy: 1.432336186247795
Energy: 1.4341633501252125
Energy: 1.4337974762803158
Energy: 1.4338065078854112
Energy: 1.2707656562490683
Energy: 1.433797476279858
Energy: 1.4338065078858688
Energy: 1.2707656562472371
Energy: 1.4337974762803158
Energy: 1.4338065078849533
Energy: 1.2707656562481529
Energy: 1.4337974762803158
Energy: 1.43496776234471
Energy: 1.4338731763735344
Energy: 1.4323224899303997
Energy: 1.43496776234471
Energy: 1.4338731763735344
Energy: 1.4323224899281106
Energy: 1.434967762340132
Energy: 1.433873176373992
Energy: 1.4323224899294842
Energy: 1.4349677623497457
Energy: 1.432288745062805
Energy: 1.4335226362692168
Energy: 1.432359615484867
Energy: 1.4322887450609738
Energy: 1.433521695131701
Energy: 1.4323596154844094
Energy: 1.4322887450614317
Energy: 1.433521881547365
Energy: 1.4323596154844094
Energy: 1.4322887450605162
Energy: 1.4320327702851054
Energy: 1.4322550067750328
Energy: 1.4334499549497886
Energy: 1.4320327702869367
Energy: 1.4322550067750328
Energy: 1.4334498483375122
Energy: 1.4320327702860212
Energy: 1.432255006774117
Energy: 1.4334522679826758
Energy: 1.4320327702846478
Energy: 1.4350178931307043
Energy: 1.4323361862482529
Energy: 1.434163350151307
Energy: 1.4350178931613768
Energy: 1.4323361862496262
Energy: 1.4341633501517648
Energy: 1.4350178931160544
Energy: 1.4323361862482529
Energy: 1.4341633501531383
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Energy: 1.4338065078844955
Energy: 1.270765656251815
Energy: 1.433797476279858
Energy: 1.4338065078835798
Energy: 1.2707656562504417
Energy: 1.4337974762803158
Energy: 1.4338065078849533
Energy: 1.2707656562472371
Energy: 1.4337974762794001
Energy: 1.4338065078844955
Energy: 1.4338731763762813
Energy: 1.4323224899294842
Energy: 1.4349677622934363
Energy: 1.4338731763758232
Energy: 1.4323224899303997
Energy: 1.4349677623346382
Energy: 1.433873176376739
Energy: 1.432322489929942
Energy: 1.4349677623108323
Energy: 1.4338731763771968
Energy: 1.4335212726829116
Energy: 1.4323596154839513
Energy: 1.4322887450618893
Energy: 1.433521178530093
Energy: 1.4323596154830358
Energy: 1.4322887450609738
Energy: 1.43352114849241
Energy: 1.4323596154825782
Energy: 1.4322887450618893
Energy: 1.433523256244193
Energy: 1.4322550067750328
Energy: 1.4334496626292768
Energy: 1.4320327702869367
Energy: 1.4322550067750328
Energy: 1.4334491764497395
Energy: 1.4320327702837319
Energy: 1.4322550067745752
Energy: 1.433449234200095
Energy: 1.43203277028419
Energy: 1.432255006774117
Energy: 1.4323361862496262
Energy: 1.4341633501806064
Energy: 1.435017892927981
Energy: 1.432336186250542
Energy: 1.4341633501824373
Energy: 1.4350178928254749
Energy: 1.4323361862496262
Energy: 1.4341633501856421
Energy: 1.4350178929504134
Energy: 1.4323361862491686
Energy: 1.2707656562508998
Energy: 1.4337974762803158
Energy: 1.4338065078844955
Energy: 1.2707656562481529
Energy: 1.4337974762803158
Energy: 1.4338065078858688
Energy: 1.2707656562481529
Energy: 1.4337974762807735
Energy: 1.4338065078867845
Energy: 1.270765656251815
Energy: 1.4323224899294842
Energy: 1.4349677622847379
Energy: 1.4338731763758232
Energy: 1.432322489929942
Energy: 1.4349677622819907
Energy: 1.4338731763771968
Energy: 1.4323224899281106
Energy: 1.4349677623877015
Energy: 1.433873176376739
Energy: 1.4323224899290263
Energy: 1.43235961548212
Energy: 1.432288745060058
Energy: 1.433522090214706
Energy: 1.4323596154839513
Energy: 1.4322887450596002
Energy: 1.4335217836706593
Energy: 1.4323596154844094
Energy: 1.4322887450577693
Energy: 1.4335216288265646
Energy: 1.4323596154834937
Energy: 1.4334505997765075
Energy: 1.43203277028419
Energy: 1.4322550067745752
Energy: 1.4334490753904354
Energy: 1.43203277028419
Energy: 1.4322550067754904
Energy: 1.4334490575884697
Energy: 1.4320327702864788
Energy: 1.4322550067754904
Energy: 1.4334508587398964
Energy: 1.4341633502030386
Energy: 1.4350178929719302
Energy: 1.4323361862487107
Energy: 1.4341633502030386
Energy: 1.4350178929234032
Energy: 1.4323361862491686
Energy: 1.434163350204412
Energy: 1.43501789278111
Energy: 1.4323361862487107
Energy: 1.434163350206701
Energy: 1.4337974762807735
Energy: 1.4338065078858688
Energy: 1.2707656562495262
Energy: 1.4337974762812313
Energy: 1.4338065078863267
Energy: 1.270765656247695
Energy: 1.4337974762812313
Energy: 1.4338065078854112
Energy: 1.270765656249984
Energy: 1.433797476282147
Energy: 1.4349677622646362
Energy: 1.4338731763758232
Energy: 1.4323224899331466
Energy: 1.4349677622934363
Energy: 1.4338731763753656
Energy: 1.4323224899313154
Energy: 1.4349677623241088
Energy: 1.43387317637445
Energy: 1.4323224899326885
Energy: 1.4349677624092185

minimum gb energy = 1.2707656562472371 eV
minimum distance =  2.32681316288511 Angstroms
sigma value = 15


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

Energy: 1.3461408836116342
Energy: 1.4936820082534794
Energy: 1.389417586228655
Energy: 1.3461408836116342
Energy: 1.493682008662107
Energy: 1.389417586228655
Energy: 1.346140883609559
Energy: 1.4936820085065414
Energy: 1.3894175862307303
Energy: 1.3461408836116342
Energy: 1.4605228412685403
Energy: 1.1585120456545752
Energy: 1.236462015489316
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Energy: 1.1585120456545752
Energy: 1.236462015489316
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Energy: 1.1585120456525
Energy: 1.2364620154934665
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Energy: 1.3062127786846343
Energy: 1.307743865283007
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Energy: 1.3077438652767812
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Energy: 1.306212778711612
Energy: 1.3077438652788567
Energy: 1.2908822858092739
Energy: 1.3062127787136872
Energy: 1.1866348229801538
Energy: 1.202338497597343
Energy: 1.2411830640819683
Energy: 1.1866348229780785
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Energy: 1.255221107155807
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Energy: 1.1377002354053045
Energy: 1.3247629354767612
Energy: 1.2409081157358781
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Energy: 1.2409081157338029
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Energy: 1.251904977135396
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Energy: 1.5944461629868125
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Energy: 1.5944461629971884
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Energy: 1.2792850989840794
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Energy: 1.1691530455827148
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Energy: 1.2502908726371584
Energy: 1.16915304558479
Energy: 1.3196823735825667
Energy: 1.2502908725790902
Energy: 1.296532039057871
Energy: 1.2438155217321565
Energy: 1.3725979993856166
Energy: 1.296532039057871
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Energy: 1.3725979993835413
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Energy: 1.2438155217342315
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Energy: 1.1752962290913822
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Energy: 1.1501946071042912
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Energy: 1.4337846346885266
Energy: 1.1501946071022158
Energy: 1.3451141538876614
Energy: 1.2050233318791654
Energy: 1.3855238086716906
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Energy: 1.2050233325760962
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Energy: 1.6565448243059422
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Energy: 1.1793291186348485
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Energy: 1.25022203599949
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Energy: 1.2850053229674978
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Energy: 1.4266033110869925
Energy: 1.2850053229674978
Energy: 1.1812117002441802
Energy: 1.4266033110869925
Energy: 1.285005322969573
Energy: 1.1812117002441802
Energy: 1.426603311091143
Energy: 1.2850053229674978
Energy: 1.2674797426854165
Energy: 1.5773270343470152
Energy: 1.1362624239388135
Energy: 1.2674797427746127
Energy: 1.5773270343511656
Energy: 1.1362624239388135
Energy: 1.2674797424074515
Energy: 1.5773270343490904
Energy: 1.1362624239408885
Energy: 1.2674797426086717
Energy: 1.2196900961016708
Energy: 1.2382882117477998
Energy: 1.5422179807665723
Energy: 1.2196900960995956
Energy: 1.2382882117477998
Energy: 1.5422179807686476
Energy: 1.2196900960995956
Energy: 1.2382882117477998
Energy: 1.542217980772798
Energy: 1.219690096103746
Energy: 1.2265197181798535
Energy: 1.1592152942126126
Energy: 1.1976239327281089
Energy: 1.2265197181840037
Energy: 1.1592152942416278
Energy: 1.1976239327281089
Energy: 1.2265197181840037
Energy: 1.1592152942416278
Energy: 1.1976239327260336
Energy: 1.2265197181777783
Energy: 1.3081939178875266
Energy: 1.2601981171887935
Energy: 1.2168018003390726
Energy: 1.3081939348219904
Energy: 1.2601981171867185
Energy: 1.2168018003390726
Energy: 1.3081939219178476
Energy: 1.2601981171867185
Energy: 1.2168018003369976
Energy: 1.3081939284103856
Energy: 1.2164173699002585
Energy: 1.340418801130855
Energy: 1.4140744946654142
Energy: 1.2164173698981833
Energy: 1.340418801130855
Energy: 1.4140744946654142
Energy: 1.2164173699002585
Energy: 1.340418801130855
Energy: 1.4140744946654142
Energy: 1.2164173699002585
Energy: 1.4684640301965828
Energy: 1.1299040857229394
Energy: 1.4434427059291544
Energy: 1.4684640301965828
Energy: 1.1299040857229394
Energy: 1.4434427059291544
Energy: 1.4684640301986578
Energy: 1.1299040857250144
Energy: 1.4434427059270791
Energy: 1.4684640301986578
Energy: 1.239885308679012
Energy: 1.4326779138500685
Energy: 1.3099294057880948
Energy: 1.239885308679012
Energy: 1.4326779138583692
Energy: 1.3099294057922075
Energy: 1.2398853086810875
Energy: 1.43267791386667
Energy: 1.30992940579017
Energy: 1.239885308676937
Energy: 1.2098108618908603
Energy: 1.257592478602392
Energy: 1.2556377906245635
Energy: 1.2098108618970858
Energy: 1.257592478612768
Energy: 1.255637790620413
Energy: 1.2098108618991612
Energy: 1.2575924786044672
Energy: 1.2556377906224883
Energy: 1.2098108619033117
Energy: 1.2917037586554003
Energy: 1.1805289190192638
Energy: 1.3702924970544346
Energy: 1.2917037586574756
Energy: 1.1805289190192638
Energy: 1.3702924970544346
Energy: 1.291703758653325
Energy: 1.1805289190192638
Energy: 1.3702924970544346
Energy: 1.2917037586491746
Energy: 1.6901410094163183
Energy: 1.3659076366772351
Energy: 1.2011452185278595
Energy: 1.6901410094142428
Energy: 1.3659076366772351
Energy: 1.2011452185257847
Energy: 1.6901410094163183
Energy: 1.3659076366813856
Energy: 1.2011452185278595
Energy: 1.6901410094163183
Energy: 1.1276696921037286
Energy: 1.391082119553132
Energy: 1.3241981398206677
Energy: 1.1276696921037286
Energy: 1.3910821195510565
Energy: 1.3241981398206677
Energy: 1.1276696921037286
Energy: 1.391082119555207
Energy: 1.3241981398227427
Energy: 1.1276696921037286
Energy: 1.3113096820437298
Energy: 1.3807976330989928
Energy: 1.2238149914450522
Energy: 1.3113096820437298
Energy: 1.3807976330989928
Energy: 1.2238149914471275
Energy: 1.3113096820458052
Energy: 1.3807976330989928
Energy: 1.2238149914450522
Energy: 1.3113096820396173
Energy: 1.339864256489149
Energy: 1.169842454240662
Energy: 1.306636555844593
Energy: 1.339864256489149
Energy: 1.169842454242737
Energy: 1.306636555844593
Energy: 1.339864256489149
Energy: 1.169842454240662
Energy: 1.3066365558425175
Energy: 1.339864256489149
Energy: 1.126551992276163
Energy: 1.5847960643292989
Energy: 1.4532889973655658
Energy: 1.126551992276163
Energy: 1.5847960643292989
Energy: 1.453288997479627
Energy: 1.126551992276163
Energy: 1.5847960643355243
Energy: 1.4532889975543346
Energy: 1.126551992276163
Energy: 1.4149157654249576
Energy: 1.189389896165302
Energy: 1.3845057429371919
Energy: 1.4149157654228823
Energy: 1.189389896165302
Energy: 1.3845057429351166
Energy: 1.4149157654270326
Energy: 1.189389896163227
Energy: 1.384505742930966
Energy: 1.4149157654166566
Energy: 1.1698238689436244
Energy: 1.4053146126188283
Energy: 1.1875200884524746
Energy: 1.169823868947775
Energy: 1.4053146126188283
Energy: 1.1875200884524746
Energy: 1.169823868939474
Energy: 1.4053146126188283
Energy: 1.1875200884483244
Energy: 1.1698238689311733
Energy: 1.425388904673683
Energy: 1.3627945761335918
Energy: 1.221770409348636
Energy: 1.4253889046716075
Energy: 1.362794576135667
Energy: 1.2217704093507114
Energy: 1.4253889046695323
Energy: 1.362794576135667
Energy: 1.2217704093507114
Energy: 1.4253889046716075
Energy: 1.3404712626412725
Energy: 1.3591270513499685
Energy: 1.5342229690545197
Energy: 1.3404712626433097
Energy: 1.3591270513499685
Energy: 1.5342229690545197
Energy: 1.3404712626412725
Energy: 1.3591270513499685
Energy: 1.5342229690545197
Energy: 1.3404712626412725
Energy: 1.5777256227593468
Energy: 1.2836302789239302
Energy: 1.1316022796297445
Energy: 1.5777256227572714
Energy: 1.2836302789177043
Energy: 1.1316022796297445
Energy: 1.5777256227551961
Energy: 1.2836302789260052
Energy: 1.1316022796318193
Energy: 1.5777256227572714
Energy: 1.1902858467894486
Energy: 1.4850085127939117
Energy: 1.1880943577373855
Energy: 1.1902858467873734
Energy: 1.485008512795987
Energy: 1.1880943577373855
Energy: 1.1902858467873734
Energy: 1.4850085127939117
Energy: 1.1880943577353102
Energy: 1.1902858467873734
Energy: 1.4229678370732115
Energy: 1.2062352350231254
Energy: 1.2875332684731535
Energy: 1.4229678370752865
Energy: 1.20623523502105
Energy: 1.2875332684710783
Energy: 1.4229678370732115
Energy: 1.2062352350231254
Energy: 1.2875332684669278
Energy: 1.4229678370732115
Energy: 1.5439335996144496
Energy: 1.1925170731615589
Energy: 1.3101651846429079
Energy: 1.5439335996165249
Energy: 1.1925170731615589
Energy: 1.3101651846491336
Energy: 1.5439335996186
Energy: 1.1925170731636339
Energy: 1.3101651846429079
Energy: 1.5439335996144496
Energy: 1.17986795084416
Energy: 1.6468591860551434
Energy: 1.180615669458716
Energy: 1.17986795084416
Energy: 1.6468591860572186
Energy: 1.1806156694566408
Energy: 1.17986795084416
Energy: 1.6468591860509931
Energy: 1.180615669458716
Energy: 1.1798679508420853
Energy: 1.2494251841851882
Energy: 1.1778057744754669
Energy: 1.5081925177162234
Energy: 1.2494251841893385
Energy: 1.177805774477542
Energy: 1.508192517672644
Energy: 1.2494251841851882
Energy: 1.1778057744796175
Energy: 1.5081925176850952
Energy: 1.2494251841851882
Energy: 1.2984079268803308
Energy: 1.244686235844825
Energy: 1.4207025538960907
Energy: 1.2984079268803308
Energy: 1.2446862358427497
Energy: 1.4207025538960907
Energy: 1.2984079268761803
Energy: 1.244686235844825
Energy: 1.420702553898166
Energy: 1.2984079268761803
Energy: 1.2826722062714124
Energy: 1.342670975505418
Energy: 1.237904819147792
Energy: 1.282672206269337
Energy: 1.342670975505418
Energy: 1.237904819147792
Energy: 1.2826722062714124
Energy: 1.3426709755033428
Energy: 1.237904819147792
Energy: 1.2826722062651865
Energy: 1.1764330532952179
Energy: 1.2296568329412914
Energy: 1.4024985380031656
Energy: 1.1764330532952179
Energy: 1.2296568329392161
Energy: 1.4054172475528932
Energy: 1.1764330532972929
Energy: 1.2296568329412914
Energy: 1.4025496504036226
Energy: 1.1764330532952179
Energy: 1.3535457042213705
Energy: 1.3283191013351827
Energy: 1.3465612611800808
Energy: 1.3535457042151446
Energy: 1.3283191014762594
Energy: 1.3465612611780056
Energy: 1.3535457042151446
Energy: 1.3283191014865976
Energy: 1.3465612611800808
Energy: 1.3535457042130699

minimum gb energy = 1.126551992276163 eV
minimum distance =  2.3044407301762 Angstroms
sigma value = 437


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

Energy: 1.2719343080880336
Energy: 1.1521227901973774
Energy: 1.1527027018075218
Energy: 1.2719343080872776
Energy: 1.1521227901875488
Energy: 1.152702701709306
Energy: 1.2719343080872776
Energy: 1.1521227901664486
Energy: 1.1527027016389948
Energy: 1.2719343080872776
Energy: 1.4798390450090542
Energy: 1.0462056461718732
Energy: 1.1999679508731238
Energy: 1.4798390450113224
Energy: 1.046205646170361
Energy: 1.1999679508753915
Energy: 1.4798390450098104
Energy: 1.0462056461718732
Energy: 1.1999679508723675
Energy: 1.479839045008298
Energy: 1.1323957617474127
Energy: 1.0347098203917717
Energy: 1.0726162882322758
Energy: 1.1323957617481686
Energy: 1.0347098203902594
Energy: 1.072616288234544
Energy: 1.1323957617481686
Energy: 1.0347098203917717
Energy: 1.0726162882315202
Energy: 1.1323957617489249
Energy: 1.225685532378928
Energy: 1.4015363248245134
Energy: 1.126296259278432
Energy: 1.22568553238044
Energy: 1.4015363248161967
Energy: 1.1262962592791879
Energy: 1.225685532378928
Energy: 1.401536324816953
Energy: 1.12629625927692
Energy: 1.225685532378172
Energy: 1.2947128746245198
Energy: 1.070278975510941
Energy: 1.6023744525001744
Energy: 1.2947128746237637
Energy: 1.070278975510941
Energy: 1.6023744525009305
Energy: 1.2947128746222518
Energy: 1.070278975510941
Energy: 1.6023744525016863
Energy: 1.2947128746199836
Energy: 1.3576538400916136
Energy: 1.3831612299695848
Energy: 1.02474392458477
Energy: 1.3576538400908575
Energy: 1.383161229970341
Energy: 1.024743924582502
Energy: 1.3576538400908575
Energy: 1.383161229967317
Energy: 1.02474392458477
Energy: 1.3576538400901013
Energy: 1.3123257927781693
Energy: 1.1412573921609275
Energy: 1.0344599747556256
Energy: 1.3123257927781693
Energy: 1.0282994301939823
Energy: 1.0344599747556256
Energy: 1.312325792775901
Energy: 1.0282994301970065
Energy: 1.0344599747556256
Energy: 1.2694743892651832
Energy: 1.1251702248102615
Energy: 1.3348987974981852
Energy: 1.1257129476363028
Energy: 1.1251702248110178
Energy: 1.334898797495161
Energy: 1.1257129366136531
Energy: 1.1251702248102615
Energy: 1.3348987974966728
Energy: 1.125712954467837
Energy: 1.1251702248079936
Energy: 1.6756660233221754
Energy: 1.235966315836192
Energy: 1.070751653693016
Energy: 1.6756660233531728
Energy: 1.2359663158339238
Energy: 1.0707516536937718
Energy: 1.675666023338808
Energy: 1.2359663158354361
Energy: 1.0707516536937718
Energy: 1.6756660233214193
Energy: 1.2765914412389416
Energy: 1.215169966037038
Energy: 1.2969123797884687
Energy: 1.2765914412412098
Energy: 1.2151699660355257
Energy: 1.2969123797877127
Energy: 1.2765914412419657
Energy: 1.215169966037038
Energy: 1.296912379793761
Energy: 1.2765914412412098
Energy: 1.1051297187939129
Energy: 1.145173480571896
Energy: 1.2671345234009912
Energy: 1.1051297187939129
Energy: 1.1451734805711398
Energy: 1.314866439827929
Energy: 1.105129718796181
Energy: 1.0980434136599402
Energy: 1.314866439827929
Energy: 1.105129718796937
Energy: 1.3690792775372356
Energy: 1.0698963693846033
Energy: 1.0506830632198152
Energy: 1.3690792775516003
Energy: 1.0698963693853591
Energy: 1.0506830632213273
Energy: 1.3690792775765492
Energy: 1.0698963693853591
Energy: 1.0506830632228392
Energy: 1.369079277592426
Energy: 1.080072640722665
Energy: 1.287921806245776
Energy: 1.0799126577198155
Energy: 1.080072640722665
Energy: 1.2879218062488003
Energy: 1.0799126577190596
Energy: 1.080072640721909
Energy: 1.287921806245776
Energy: 1.0799126577205718
Energy: 1.080072640721153
Energy: 1.2883231344309514
Energy: 1.070301712438186
Energy: 1.219575467329752
Energy: 1.2883231344301955
Energy: 1.070301712435918
Energy: 1.2195754673267278
Energy: 1.2883231344309514
Energy: 1.0703017124374299
Energy: 1.2195754673259718
Energy: 1.2883231344309514

minimum gb energy = 1.024743924582502 eV
minimum distance =  2.25838496604436 Angstroms
sigma value = 33