Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.700475549697878
cohesive_energy=4.000384142553119
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.58308598695566e-20, 1.4747523219447118e-19, 2.0469729111310797e-19, 2.6357407805934e-19, 3.16516402753236e-19, 3.6464739101522997e-19, 4.0767544669793395e-19, 4.44914838201996e-19, 4.771938908471939e-19, 5.059930158433439e-19, 5.32145345040126e-19, 5.5559480225535e-19, 5.760065325725099e-19, 5.932587705674219e-19, 6.073707423596939e-19, 6.18436976370732e-19, 6.266080772041319e-19, 6.322317171894719e-19, 6.35931143037378e-19, 6.38222255623998e-19, 6.39513609991002e-19, 6.402377938295699e-19, 6.407056294066979e-19, 6.40881868836438e-19, 6.406607684609459e-19, 6.398789062635539e-19, 6.38334407988378e-19, 6.357837427870499e-19, 6.320426603466599e-19, 6.27354691515576e-19, 6.220899390962519e-19, 6.166249145976779e-19, 6.114146361839099e-19, 6.067442912958e-19, 6.018464373256619e-19, 5.95804629238848e-19, 5.87508558627996e-19, 5.75282348733942e-19, 5.539717973251079e-19, 5.13250875995364e-19, 4.391213674934519e-19, 3.16963410034122e-19, 1.362519848733012e-19, -1.12667464167831e-19, -4.51371610037016e-19]
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: 0.014723270280166366
Energy: 0.016002650141051213
Energy: 0.016043733293622495
Energy: 0.01682870635732844
Energy: -3.2364666467950927
Energy: 0.01531580911298933
Energy: 0.016002650141051213
Energy: -4.9238987210510405
Energy: -4.952383954874553
Energy: -4.985097901199209
Energy: -4.944026506049518
Energy: -4.822503079381232
Energy: 0.016043733293356458
Energy: -4.98762322431298
Energy: -4.906892655348695
Energy: 0.015259880333652541
Energy: -4.921270749963256
Energy: -4.896448061871028
Energy: 0.01682870635732844
Energy: -4.990116525539947
Energy: 0.015259880332488646
Energy: 0.017668868049742156
Energy: -4.881134652975546
Energy: 0.015450470384948501
Energy: -3.461087053878089
Energy: -4.947237893645269
Energy: -4.894889289405958
Energy: -4.937329703648231
Energy: -4.886364786945068
Energy: -4.936065122010159
Energy: 0.015315809112723296
Energy: -5.0696555737683076
Energy: -4.964316981852642
Energy: 0.015450470384948501
Energy: -4.802315386692376
Energy: 0.015765847024605005

minimum gb energy = -5.0696555737683076 eV
minimum distance =  2.60887761392959 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: -1.7624017890119046
Energy: -3.677302856665831
Energy: -1.5647495209257332
Energy: -1.118887412710799
Energy: -4.503798974978183
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Energy: -2.1886864109164135
Energy: -2.918267482803914
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Energy: -2.821961539968761
Energy: -3.9594947706999726
Energy: -3.068233532824711
Energy: -3.6765347296746436
Energy: -2.0257487288305276
Energy: -2.2025415558899306
Energy: -2.0001939742623023
Energy: -1.5653051429926796
Energy: -1.6204090853299844
Energy: -1.8210028090633563
Energy: -3.7082377375266034
Energy: -2.5936898623068294
Energy: -2.929567450166617
Energy: -2.8920195081980222
Energy: -4.31690560321468
Energy: -2.604253045562512
Energy: -5.59370336863105
Energy: -2.912352514546403
Energy: -1.6951216011238985
Energy: -3.218434505011013
Energy: -3.792986548918434
Energy: -4.527721537629731
Energy: -3.0723576846615996
Energy: -2.4296467810602844
Energy: -2.4049715836957257
Energy: -2.744495250313395
Energy: -2.3300538927851586
Energy: -5.100581533345145
Energy: -3.810802483769639
Energy: -2.268099647593711

minimum gb energy = -5.984279555673889 eV
minimum distance =  2.25407894880325 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -2.1107212633030166
Energy: -3.1082966716789318
Energy: -4.146765259376387
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Energy: -4.287894845888103
Energy: -2.8759005746421904
Energy: -2.909276611598081

minimum gb energy = -4.838764705014175 eV
minimum distance =  2.21695284168714 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

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Energy: -1.9991700818182514
Energy: -1.212238735048863
Energy: -2.232180246533115
Energy: -1.4655650733853927
Energy: -1.9886014713426872
Energy: -1.508904248887643
Energy: -1.3959656151615365
Energy: -1.538499396216474

minimum gb energy = -2.8994973531005974 eV
minimum distance =  2.29312211338457 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: -0.19546033792000164
Energy: -0.09555808927467448
Energy: -0.10158641874691009
Energy: -0.19391818630930216
Energy: -0.6362543190087318
Energy: -0.20879893163885394
Energy: -1.651263650935843
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Energy: 0.089069508353453
Energy: -0.09955681860606082
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Energy: -3.0550696008417226
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Energy: -0.12443475826677923
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Energy: -0.1110944473976581
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Energy: -1.8798325579190514
Energy: -0.09118163039820047
Energy: -0.08691461449772965
Energy: -2.022442240558924
Energy: -0.3351031339914969
Energy: -0.1040422628674006
Energy: -0.10454165441045456
Energy: -0.3183390128552753
Energy: -0.10349815388277328
Energy: -1.9734488459563486
Energy: -0.8240639501582343
Energy: -0.23457926639133497
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Energy: -0.8066635743407976
Energy: -0.262454913834542
Energy: -1.6038516843558017
Energy: -0.3387059904269935
Energy: -0.309850757854076
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Energy: -0.11457818524616879
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Energy: -1.7211068329797061
Energy: -1.165693710719689
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Energy: -0.8851458155086003
Energy: -1.5100057136521103
Energy: -1.6187719740506745
Energy: -0.084645452336574
Energy: -0.08805984061544858
Energy: 0.16688134028216287
Energy: -0.08330511427178011
Energy: -0.08907117765356941
Energy: -1.845360067350919
Energy: -0.09780287405754981
Energy: -0.10262705274101355
Energy: -1.7902553650953033
Energy: -0.09100863929463106
Energy: -0.10927226546219637
Energy: -1.859311406551979
Energy: -0.10451718671200465
Energy: -0.10560989027712285
Energy: -1.3232757222782146
Energy: -0.09869759700316003
Energy: -0.09133557312938158
Energy: -2.5907992366057577
Energy: 0.21820890253241107
Energy: 0.27469089824277715
Energy: -0.12499484464843251
Energy: 0.21490780965612116
Energy: 0.2907179799235929

minimum gb energy = -3.0550696008417226 eV
minimum distance =  2.34957049264306 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: -2.426809103086855
Energy: -2.189135349434463
Energy: -3.51043152225703
Energy: -3.079655042843042
Energy: -2.948748583572491
Energy: -3.4283115236535213
Energy: -1.7681370459170986
Energy: -2.732074317563375
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Energy: -2.730465523022749
Energy: -2.9041684304582858
Energy: -3.15810469540103
Energy: -1.7647894646455693
Energy: -3.848094118097058
Energy: -3.8479922330968246
Energy: -3.480982492823131
Energy: -1.5276533340288387
Energy: -1.6691976325802307
Energy: -1.6549987060794298
Energy: -2.732430227442894
Energy: -2.280446584882864
Energy: -2.3700767672325926
Energy: -0.40773514403958944
Energy: -3.696926283555881
Energy: -3.196184765296161
Energy: -5.798950365959796
Energy: -3.6555067479302115
Energy: -1.4854549463501183
Energy: -5.959035268164135
Energy: -2.2586605393406214
Energy: 0.2199649171696328
Energy: -2.687395297955564
Energy: -5.618735739664728
Energy: -2.138305613311898
Energy: -2.8590546495487748
Energy: -5.5005396357207745
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Energy: -2.4688592993552803
Energy: -2.736381448785537
Energy: -0.4446926354360877
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Energy: -2.6201191658094647
Energy: -5.259373295276571
Energy: -2.6191765123885187
Energy: -1.2658315494162442
Energy: -4.442027405243313
Energy: -2.6249670984913656
Energy: -1.1705662081812727
Energy: -2.355623971641509
Energy: -2.9949069184958677
Energy: -3.0579725176412578
Energy: -2.366099807636225
Energy: -3.1417656152566344
Energy: -1.2672732834384475
Energy: 0.18251649956921986
Energy: -3.529803962544912
Energy: -3.0293423024789803
Energy: -3.2730642547700532
Energy: -3.480182447757962
Energy: -1.6404343344597025
Energy: -2.976663635288846
Energy: -3.415427481249991
Energy: -2.614026831622959
Energy: -3.0267080453877466
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Energy: -3.3461472971394377
Energy: -1.1081617048106043
Energy: -2.7541346281832584
Energy: -2.9637432539380333
Energy: -2.72547273659186
Energy: -2.7992237461143836
Energy: -2.428431111349735

minimum gb energy = -5.959035268164135 eV
minimum distance =  2.25374492846836 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: -2.197740727993821
Energy: -1.7615616602080681
Energy: -2.0112875522001135
Energy: -1.6722054149842278
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Energy: -2.437178907103985
Energy: -2.176609554063391
Energy: -2.2721102151956583
Energy: -2.3431030832575757
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Energy: -2.3002693218327
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Energy: -2.1583778386897143
Energy: -2.3325337126656502
Energy: -2.1339757847747647
Energy: -2.716906589566641
Energy: -2.2352418283750963

minimum gb energy = -4.630525810224709 eV
minimum distance =  2.31696506040956 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

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Energy: -1.9385980268808138
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Energy: -1.2826469962057794
Energy: 0.06467493559419521
Energy: -1.2532667810221423
Energy: 0.0733263599721085
Energy: -1.2249268620038969
Energy: -1.2361004028454687
Energy: -1.26435907923886
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Energy: -1.383629342982175
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Energy: -2.6695015518284464
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Energy: -1.2390229116718503
Energy: -1.3031956899100792
Energy: -4.406181252152629
Energy: -1.376228018225424
Energy: -2.268630410904915
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Energy: -1.2424181818405562
Energy: -1.2442713354765629
Energy: -1.3741806379488732
Energy: -1.2440181806643202
Energy: -2.27836032053162
Energy: 0.05303861659389771
Energy: 0.06923392359653567
Energy: -1.2396229232073055
Energy: 0.06322018400685697
Energy: 0.07025383774800764
Energy: -1.74651463862452
Energy: -1.3028965566618849
Energy: -1.260256913276725
Energy: -1.2702805614966217
Energy: 0.09057048878533076
Energy: -1.261543955485415
Energy: -1.153211097897515
Energy: -1.3244703913171394
Energy: -1.357418403315342
Energy: -1.4657598096015214
Energy: -1.2416353048697075
Energy: -1.314688888727835
Energy: -1.336810662809368
Energy: -1.3142142990118526
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Energy: -1.2664383296573487
Energy: 0.08617047845436303
Energy: -1.250574454702976
Energy: -1.2487786760484152

minimum gb energy = -4.406181252152629 eV
minimum distance =  2.34355792265079 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: -3.1213745766430105
Energy: -3.5135807592243293
Energy: -2.5976915061047587
Energy: -2.8048432744743583
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Energy: -3.2257736634250964
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Energy: -2.788299045534419
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Energy: -3.237230324882092
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Energy: -2.6103074549671312
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Energy: -2.8572627580544685
Energy: -2.7843942089063476
Energy: -2.7713312384409154
Energy: -2.6106791332589827
Energy: -2.674700142357838
Energy: -2.932626004201768
Energy: -3.260612708354528
Energy: -3.2251806228491513
Energy: -3.102568150651352
Energy: -2.590692076891533
Energy: -2.832691605009959
Energy: -3.033723313223235
Energy: -2.790245206734196
Energy: -2.9382100654217496
Energy: -3.0879037086894527
Energy: -2.797612528896747
Energy: -2.533679267423211
Energy: -2.864006475596525
Energy: -3.219029241358741
Energy: -3.049725903711204
Energy: -3.1492441678829644
Energy: -3.103047784803787

minimum gb energy = -4.18193886138129 eV
minimum distance =  2.29784021439656 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -1.046432949120563
Energy: -1.723513693635319
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Energy: -1.5701586916288586
Energy: -1.3373993246392346
Energy: -1.9676189044140506

minimum gb energy = -3.1325355223938627 eV
minimum distance =  2.26607794268452 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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minimum gb energy = -7.299572125095502 eV
minimum distance =  2.289631201723 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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minimum gb energy = -2.1925620120709053 eV
minimum distance =  2.36982992152636 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -5.802214816603676 eV
minimum distance =  2.25180407673122 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -2.2699667026649184
Energy: -2.2405943467504987
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Energy: -2.0061076586709015
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Energy: -2.0697696754845487
Energy: -2.433074672401821
Energy: -2.1231866304007423
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Energy: -1.9204587130923612
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Energy: -2.5076326397721553
Energy: -2.347719336804481
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Energy: -2.3007517985939963
Energy: -2.106439844695984
Energy: -2.4621778375626446
Energy: -2.361173309315063
Energy: -2.184718097631784
Energy: -2.141062620176581
Energy: -1.9117054227163244
Energy: -2.6645649786715486
Energy: -2.3058305558608114
Energy: -2.2663811072555715
Energy: -2.3680063981823514
Energy: -2.268829903112149
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Energy: -1.9695248232418443
Energy: -3.1456511124541535
Energy: -2.1364842109906363
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Energy: -2.0143949791726437
Energy: -1.740613750743468
Energy: -2.081690156731309
Energy: -2.1618429692462606
Energy: -2.5129021088261823
Energy: -2.0437172076990042
Energy: -2.0305254157963435
Energy: -2.106831411097384
Energy: -1.8609894521119479
Energy: -2.0226292935392376
Energy: -2.734441627883787
Energy: -2.3171624299766007
Energy: -2.119162219973125
Energy: -2.1109964952926297
Energy: -2.432254455763359
Energy: -2.8694050086838265
Energy: -2.5961857558398815
Energy: -2.6305406012426675
Energy: -1.6671104345924153
Energy: -2.583667770441784
Energy: -2.34669413548093
Energy: -1.9580842811187256
Energy: -1.822357245558896
Energy: -3.1400755935534943
Energy: -1.6006751826564238
Energy: -2.3411716022819027
Energy: -1.8855465641401015
Energy: -2.651841587198506
Energy: -2.8056374689468084
Energy: -2.3090400288446444
Energy: -2.9190230396360044
Energy: -2.8217306094338226
Energy: -2.3024298812298394
Energy: -2.3591729374566786
Energy: -2.4644269382092228
Energy: -2.4269391432605256
Energy: -2.443793654718869
Energy: -2.194703689802399

minimum gb energy = -3.317871218244936 eV
minimum distance =  2.31173313807022 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -1.5370057939987212
Energy: -1.9620068672659503
Energy: -1.7066809260727478
Energy: -1.620597637991123
Energy: -1.7266580334038282
Energy: -1.505490966653505
Energy: -1.826455734771341
Energy: -2.0533991234649656
Energy: -2.051249027424997
Energy: -1.9890761905128007
Energy: -1.8172293851509567
Energy: -1.9297914733009047
Energy: -1.936091872617354
Energy: -1.9251436853869597
Energy: -2.101176372668406
Energy: -2.1765612524485767
Energy: -1.5071495489434765
Energy: -2.057745656643431
Energy: -1.9129070436936548
Energy: -1.9637782251732059
Energy: -1.7594007966265137
Energy: -2.027435568068123
Energy: -1.8022271508601007
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Energy: -2.8009217051212074
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Energy: -1.9042928304353897
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Energy: -2.2091823443670564
Energy: -2.194484023583422
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Energy: -2.166281112262763
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Energy: -1.4663109098348317
Energy: -1.9617135387413054
Energy: -1.8049206640323776
Energy: -2.1455094617578943
Energy: -1.868710852984409
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Energy: -2.2607474222732846
Energy: -2.237471688567237
Energy: -1.8322033499922223
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Energy: -1.7888657811867898
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Energy: -2.027393089837213
Energy: -1.8530503971309886
Energy: -1.7576543300421035
Energy: -1.8619912778969243
Energy: -1.4389205627883521
Energy: -1.9454377821514128
Energy: -1.688516046953968
Energy: -1.3794445679115175
Energy: -1.781456863156759
Energy: -1.7876223659085024
Energy: -1.786265574116016
Energy: -1.558351748889459
Energy: -1.920539750186375
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Energy: -1.705623466153336
Energy: -1.965353844624057
Energy: -1.6881413958973484
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Energy: -1.903003949800993
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Energy: -2.2189490701295163
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Energy: -2.1264047046185373
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Energy: -1.6988678020044643
Energy: -1.916706602307095
Energy: -2.19522120399479
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Energy: -1.3755777823690534
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Energy: -1.8044597858365845
Energy: -1.8784807768643543
Energy: -1.7064568544830683
Energy: -1.9975788070545684
Energy: -1.395799489080671
Energy: -1.7907564218376997
Energy: -2.6514287945902995
Energy: -2.164638293183431
Energy: -2.0658957390736163
Energy: -1.6366584616484048
Energy: -2.268997935081053
Energy: -1.8242676013963666
Energy: -4.21409074724106
Energy: -1.932671813719296
Energy: -1.9742290830314162
Energy: -1.9649972827811863
Energy: -1.9877725802963606
Energy: -2.1782877200435093
Energy: -2.0348938728024124
Energy: -2.0949066307576536
Energy: -2.067008529025729
Energy: -2.0199264010556894
Energy: -1.9066971244765936
Energy: -2.1920010308171545
Energy: -4.108393499629185
Energy: -2.1871792175990037
Energy: -2.017356766483626
Energy: -1.868982803916015
Energy: -1.9993148006737702
Energy: -2.1618200122637403
Energy: -4.288486965459948
Energy: -2.253429202347378
Energy: -1.7342618675642114
Energy: -2.1419555507698522
Energy: -2.119662589705726
Energy: -1.8685638932296604
Energy: -1.8592596536964967
Energy: -2.0626974815912646
Energy: -2.135253951060779
Energy: -2.169475397444477
Energy: -1.906492267789175
Energy: -2.3681633532545106
Energy: -1.8582689905764156
Energy: -1.7594681079040997
Energy: -2.182038821152236
Energy: -2.2790822340196346
Energy: -1.7029555774854752
Energy: -2.162128511972794
Energy: -1.8576515664504318
Energy: -1.858035599820412
Energy: -2.4219613092872647
Energy: -1.860679840744434
Energy: -2.1757354050343967
Energy: -2.3987293597359396
Energy: -1.4241679609937936
Energy: -1.7120617664185307
Energy: -1.9497032896300424
Energy: -1.8829141817411048
Energy: -1.7583606674009726
Energy: -1.9189331256641742

minimum gb energy = -4.288486965459948 eV
minimum distance =  2.31920255363 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -1.9348386728412268
Energy: -2.3089298522092805
Energy: -2.5720860433759767
Energy: -2.163341078158836
Energy: -2.580137757227439
Energy: -2.322772449519873
Energy: -2.5217616754172676
Energy: -2.303428035701194
Energy: -2.481183084130005
Energy: -2.7198313574608375
Energy: -2.4739512716071914
Energy: -2.3862077218349533
Energy: -2.060486927597324
Energy: -2.3061028784948836
Energy: -2.4580706476303145
Energy: -2.5604596297753863
Energy: -2.2384239716489427
Energy: -2.4494890563124136
Energy: -2.5325537917598417
Energy: -2.46070749484619
Energy: -2.1631821911305438
Energy: -2.763134785832057
Energy: -2.5074777321520423
Energy: -2.6938965216975674
Energy: -1.8502564629088172
Energy: -2.2759521383029457
Energy: -2.505853598080785
Energy: -2.817507015795533
Energy: -2.4032330574593184
Energy: -2.499125047551977
Energy: -2.3343259252056456
Energy: -2.5262641311259353
Energy: -2.4241640389086
Energy: -2.150060976016903
Energy: -2.354081673465522
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Energy: -2.084573653292768
Energy: -1.9129494972877066
Energy: -2.52806449970183
Energy: -1.845373162654852
Energy: -2.301631879640808
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Energy: -2.3154488146375325
Energy: -2.436589687464889
Energy: -2.096804553994908
Energy: -2.3957662123493257
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Energy: -1.8201301212292869
Energy: -2.4671320481552423
Energy: -2.769019314042699
Energy: -2.2368392943809616
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Energy: -2.355355311868854
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Energy: -2.439981729692238
Energy: -2.9024165300302593
Energy: -2.4239231186316266
Energy: -2.4107442692896988
Energy: -2.351609013098911
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Energy: -2.11002718982346
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Energy: -2.591758284420461
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Energy: -1.7592667650859994
Energy: -2.2897580541267226
Energy: -2.469795015864193
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Energy: -2.4480167283937733
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Energy: -1.7106408843152991
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Energy: -2.4955919205077035
Energy: -2.3682167516241495
Energy: -2.4948436374598972
Energy: -2.3244921381328614
Energy: -0.7294844571488803
Energy: -2.5274969855760347
Energy: -2.5981034648703547
Energy: -2.820296198332012
Energy: -2.5773648532225564
Energy: -2.4060435371290088
Energy: -1.4148557493974931
Energy: -2.2450102396318776
Energy: -2.4036664638543357
Energy: -2.6412759765666842
Energy: -2.348809685012378
Energy: -2.4608836383304857
Energy: -1.714518036844906
Energy: -2.548752241876827
Energy: -2.089298704556886
Energy: -2.047305742873567
Energy: -2.6016480359759204
Energy: -2.446696078517456
Energy: -2.4015263819251436
Energy: -2.103246762249528
Energy: -2.088784544725159
Energy: -1.8847126679797637
Energy: -2.2368852104882206
Energy: -2.0871291833673165
Energy: -1.9025030586924825
Energy: -2.782560945347585
Energy: -2.744519588031835
Energy: -2.754155726298287
Energy: -2.808120108203164
Energy: -2.8257104496393084
Energy: -2.1450472225603345
Energy: -2.6334785957554985
Energy: -2.6396039687491077
Energy: -2.636430944129086
Energy: -2.6234946612376637
Energy: -2.3202711112016527

minimum gb energy = -2.9024165300302593 eV
minimum distance =  2.30871399093442 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -2.567856774393535
Energy: -2.539681328968949
Energy: -2.0844315065030052
Energy: -1.8140108464282267
Energy: -2.646169863363101
Energy: -1.7651097478153104
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Energy: -2.420968539070642
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Energy: -3.1295616230662415
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Energy: -2.5829343715726623
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Energy: -2.819678361365799
Energy: -2.617267306509798
Energy: -2.7513700710046414
Energy: -2.6129004297653338
Energy: -2.6856373762260635
Energy: -2.863864670158539
Energy: -2.7572343182666836
Energy: -2.8310920213140034
Energy: -2.8429850873194997
Energy: -2.931386584287805
Energy: -2.4016284203430374
Energy: -2.862182537285341
Energy: -2.6987735001967135
Energy: -2.6628058675790567
Energy: -2.848331632745822
Energy: -2.8449019474252997
Energy: -2.8461426905470524
Energy: -3.924082198075422
Energy: -4.330920012837827
Energy: -2.4759081146752036
Energy: -2.9885551448371057
Energy: -2.992141239621594
Energy: -2.9918379119398417
Energy: -2.9556078927793954
Energy: -2.943629040194434
Energy: -2.8261167030483847
Energy: -2.980670358203948
Energy: -2.153952742759806
Energy: -3.082991813889014
Energy: -2.7855625032260325
Energy: -2.1743130223566913
Energy: -2.979768533593484
Energy: -2.5760147121453625
Energy: -2.963085490208782
Energy: -2.915288408740117
Energy: -2.3832829933786988
Energy: -3.0914562624173336
Energy: -2.803128140154639
Energy: -2.4650635468397426
Energy: -2.9087882908812577
Energy: -3.017384690740034
Energy: -2.164356687273093
Energy: -2.8650863981670494
Energy: -3.0538102854172897
Energy: -2.7110618236833806
Energy: -3.148509838755468
Energy: -3.0533588038318573
Energy: -2.6765517096635265
Energy: -3.0273355683701006
Energy: -2.671635732560642
Energy: -2.7361414716405386
Energy: -2.55855088864432
Energy: -2.2812479358345152
Energy: -2.6527770997115216
Energy: -2.574426923056255
Energy: -2.251531307395328
Energy: -3.017447210915587
Energy: -3.1143113704303977
Energy: -3.032640690342593
Energy: -2.6471790987567956
Energy: -3.0456398761016312
Energy: -2.739150504475346
Energy: -2.3511006848940763
Energy: -2.8213245915033776
Energy: -2.7636772032313477
Energy: -1.8071733288735763
Energy: -3.0396411659045737
Energy: -2.5176628692128595

minimum gb energy = -4.330920012837827 eV
minimum distance =  2.25025930424054 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -2.791147592616057
Energy: -3.3781112758373064
Energy: -2.652996023410356
Energy: -2.810693888370028
Energy: -2.831029870134386
Energy: -2.6387164943964674
Energy: -3.4506160389230964
Energy: -3.0552001309436765
Energy: -2.960191901687774
Energy: -3.628032988749952
Energy: -3.5500994988019983
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Energy: -3.824927444253891
Energy: -3.457900892399341
Energy: -3.6441953977414006
Energy: -3.13051858237875
Energy: -3.3598203062122267
Energy: -3.7278547742828243
Energy: -3.5017701762023985
Energy: -2.467470592749377
Energy: -2.5853553048002214
Energy: -4.186444038246056
Energy: -2.2717301393464617
Energy: -3.249097217970342
Energy: -3.6077886621384034
Energy: -3.606489338273576
Energy: -3.295675610996571
Energy: -2.729611063194433
Energy: -3.905954379725602
Energy: -3.2401397134273515
Energy: -3.351666842851541
Energy: -3.282579578751887
Energy: -3.1788570193925496
Energy: -3.6238929461283536
Energy: -3.302309045383514
Energy: -4.116821224287724
Energy: -3.3622398361586345
Energy: -2.8848262885153693
Energy: -3.152489944256916
Energy: -3.2083361807293564
Energy: -2.812575859048547
Energy: -2.8947884369174632
Energy: -3.7548006431213783
Energy: -3.0557739852173125
Energy: -3.581969404951893
Energy: -3.0497475080928615
Energy: -3.172210022395706
Energy: -3.2704460608494497
Energy: -3.2708319458393236
Energy: -3.6469837119746695
Energy: -3.8655523666791973
Energy: -2.5507564654592016
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Energy: -2.8618584385364345
Energy: -3.4678880831295147
Energy: -2.4301023486168027

minimum gb energy = -4.186444038246056 eV
minimum distance =  2.34619537779297 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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Energy: -3.702436516666467
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Energy: -3.738939588351298
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Energy: -3.1850470192559164
Energy: -3.5410641626189596
Energy: -3.9034747311839797
Energy: -3.35286501673166
Energy: -3.993651893078395
Energy: -3.6930356767710277
Energy: -3.4072610710504367
Energy: -3.300085587076292
Energy: -3.790096530258931
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Energy: -3.636006782084327
Energy: -3.0718787984722473
Energy: -3.013713750589755
Energy: -3.5851498877299357
Energy: -3.0936137332074476

minimum gb energy = -4.416584429935247 eV
minimum distance =  2.33026423687273 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

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Energy: -2.320425200014531
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Energy: -2.34308120976881
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Energy: -2.424814791521479
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Energy: -2.4473335061094734
Energy: -1.9211153216743029
Energy: -2.4091928011121317
Energy: -2.3729475882224387
Energy: -2.0750698301392974
Energy: -2.018782355416521
Energy: -2.4366579389811345
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Energy: -2.106884584914909
Energy: -2.5302564361455255
Energy: -2.0413648313102812
Energy: -2.2913981423515835
Energy: -2.619369544511612
Energy: -2.2630866616792957
Energy: -2.4885520658015543

minimum gb energy = -3.2389661473255735 eV
minimum distance =  2.30247115167117 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -0.05493893867924646
Energy: -0.09709078294843519
Energy: -0.10655812271454668
Energy: -0.05255181097544222
Energy: -2.4768692594423056
Energy: -0.0743544082539094
Energy: 0.04635162243083324
Energy: -1.7495452687016912
Energy: -1.459931909148322
Energy: -2.510264005909291
Energy: -1.17657322857413
Energy: -1.4557548090353551
Energy: -2.260735557878308
Energy: -0.07847023940729035
Energy: -0.16784013594136962
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Energy: -0.23241677986760775
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Energy: -2.4829878717047604
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Energy: -0.07714740329792798
Energy: -0.07501631885936887
Energy: -2.711913842583125
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Energy: -0.24018949735648085
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Energy: -0.07699166445431765
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Energy: -2.864624674613366
Energy: -0.19330685598096511
Energy: -1.764890393973288
Energy: -4.102163816906636

minimum gb energy = -4.102163816906636 eV
minimum distance =  2.38276935627276 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -1.244582877721524
Energy: -1.3859368076688559
Energy: -1.2969424053065812
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Energy: -3.011034448334714
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Energy: -2.9481150760251307
Energy: -1.77778835263128
Energy: -2.975312143091281
Energy: -2.8902075275865586
Energy: -2.045460867173164
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Energy: -4.1324937745736054
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Energy: -1.9931090779833738
Energy: -1.9210603003385343
Energy: -2.0570680622013042
Energy: -2.3385413964302724
Energy: -2.746194844867551

minimum gb energy = -4.847188052418411 eV
minimum distance =  2.29582623977314 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -3.612863455709784
Energy: -4.389872685905866
Energy: -1.85394400444999
Energy: -3.469239519208686
Energy: -5.104600550728025
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Energy: -4.2638928372514195
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Energy: -3.6159706352714527
Energy: -5.050366041512554
Energy: -4.062578859450395
Energy: -3.5659863689954108

minimum gb energy = -6.635353107087368 eV
minimum distance =  2.35801734399826 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

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Energy: -2.717492440523379
Energy: -3.9653051469992584
Energy: -3.3773782173414157
Energy: -2.380708537088223
Energy: -2.9716424098889798
Energy: -4.049589501168369
Energy: -3.079552828237049
Energy: -2.9009305250799047
Energy: -2.5442532709340195
Energy: -2.98307494050842
Energy: -2.16588352235306
Energy: -2.783551647513502
Energy: -2.621344872720219
Energy: -3.7942999675935094
Energy: -2.2293044551658077
Energy: -2.4250532926152193
Energy: -4.124060282839728
Energy: -3.745469890065472
Energy: -2.686984119867399
Energy: -2.9399320104184725
Energy: -3.3689339068357667
Energy: -2.5927262769152026
Energy: -2.2132335312823583
Energy: -3.2489732346027873
Energy: -4.034890821505156
Energy: -2.5708808692161287
Energy: -1.9434334069644306
Energy: -4.13066716897477
Energy: -1.653762801470282
Energy: -3.9827976699285252

minimum gb energy = -5.45090237728156 eV
minimum distance =  2.3396043019 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -2.2818286345231953
Energy: -2.7705931959340595
Energy: -2.8096823512485916
Energy: -1.4030544467027641
Energy: -2.470428802598059
Energy: -2.133624209428582
Energy: -2.481177074397649
Energy: -1.979336452051999
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Energy: -2.2475919456650217
Energy: -1.4580425581864505
Energy: -2.7141025257867106
Energy: -2.7513958279127673
Energy: -2.174699761236772
Energy: -2.116031344837063
Energy: -2.003008312575437
Energy: -2.9538697907651397
Energy: -2.3441205057906602
Energy: -2.880769170032395
Energy: -2.978842928853087
Energy: -2.0680624339802556
Energy: -1.7704550007775166
Energy: -2.6909430496734643
Energy: -2.245717119458912
Energy: -2.8474268386900183
Energy: -1.8784335246101622
Energy: -1.6438775688059502
Energy: -1.766028826464016
Energy: -1.6882843599496125
Energy: -2.2597181684223373
Energy: -2.9057849772362094
Energy: -2.2351874323672134
Energy: -2.0129191433305267
Energy: -2.4397587892403783
Energy: -2.3049918466027304
Energy: -2.670998941644563
Energy: -1.9697345719565889
Energy: -2.54137330557606
Energy: -1.062706186195936
Energy: -3.148254122024387
Energy: -2.0974229474574675
Energy: -1.9844115884517546
Energy: -1.9514566333344898
Energy: -2.169249837638445
Energy: -2.892015007689948
Energy: -3.2316858049344837
Energy: -1.7248872484730386
Energy: -0.9695478872387603
Energy: -2.6994277515905316
Energy: -2.4919917638763684
Energy: -2.2353575896213034
Energy: -1.6549068395538709
Energy: -1.7281581520610112
Energy: -1.7898969318041487
Energy: -2.280244419570357
Energy: -2.149035186058035
Energy: -1.8386309662419862
Energy: -1.9291727385133939
Energy: -3.0806961982775234
Energy: -2.2615266679327797
Energy: -2.199875333369442
Energy: -1.826720275746828
Energy: -2.1898902345417524
Energy: -1.743042320510262
Energy: -2.015476891430521
Energy: -2.4286953931918025
Energy: -2.4180178980343414
Energy: -2.1038843758091286
Energy: -2.1154905467563148
Energy: -1.8130782715811518
Energy: -2.3818659651086405
Energy: -2.4153345728798583
Energy: -1.6502842335193995
Energy: -2.2779451689244574
Energy: -2.1791982774571084
Energy: -2.420164228958578
Energy: -2.1659762104083184
Energy: -2.306764241387531
Energy: -3.11224652773958
Energy: -2.799423483935989
Energy: -2.6896789836470605
Energy: -2.973341393026328
Energy: -2.899309300491508
Energy: -2.1368393274802315

minimum gb energy = -3.2316858049344837 eV
minimum distance =  2.33759671077805 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -0.7966302732412416
Energy: -0.8798070067155397
Energy: -1.7827146127808648
Energy: -0.7970565705495294
Energy: -0.7027462785567579
Energy: -1.8917370803567735
Energy: -1.4752937821083394
Energy: -1.298042887857783
Energy: -2.807781581348207
Energy: -1.3451202161645215
Energy: -1.575706032966991
Energy: -2.3418490928790825
Energy: -1.3359385603999594
Energy: -1.5755850260486393
Energy: -2.172806044605599
Energy: -1.68341185263862
Energy: -1.4505133795259983
Energy: -1.701666884446786
Energy: -2.1962864713217334
Energy: -1.4712837169353399
Energy: -3.3874505175118195
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Energy: -1.080813152107788
Energy: -1.5740351276870983
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Energy: -3.0318277254851176
Energy: -1.7938970524332014
Energy: -2.262320772625527
Energy: -2.616001920760836
Energy: -1.6205436352037559
Energy: -1.1472399001114815
Energy: -2.1268856297095793
Energy: -1.78622094241434
Energy: -1.2602084635647324
Energy: -1.0965829265813134
Energy: -2.3748893110170037
Energy: -1.7311433392304825
Energy: -2.756624415985874
Energy: -1.6763034830935826
Energy: -1.550721393619779
Energy: -2.1796405143957083
Energy: -1.50608938941965
Energy: -1.1088560722841323
Energy: -3.031097073993756
Energy: -2.213871570101291
Energy: -3.2214370007200177
Energy: -1.8102400496007827
Energy: -1.7737602825743064
Energy: -1.2816259059393291
Energy: -1.5115467701351097
Energy: -1.9277541878147193
Energy: -1.9256834617518843
Energy: -1.8003129178134292
Energy: -0.8889115408796662
Energy: -1.6040544036391213
Energy: -1.943290114063783
Energy: -1.4429659717699803
Energy: -2.0081519491158444
Energy: -1.5434676932829097
Energy: -2.6462182834031873
Energy: -2.13523213504562
Energy: -3.2078315393404253
Energy: -3.1649068964264844
Energy: -1.8883661573517097
Energy: -1.3116590185878994
Energy: -1.575255649619742
Energy: -1.3822190319365848
Energy: -1.1637054387872101
Energy: -2.0666571766147808
Energy: -2.757464937581248
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Energy: -1.1642927664279632
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Energy: -1.7102755637250162
Energy: -1.5495652892230172
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Energy: -1.250440838377711
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Energy: -1.9754203655437448
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Energy: -2.7884624712889896
Energy: -1.4667788005579847
Energy: -1.8552861413556276
Energy: -1.3453268906589728
Energy: -1.5012154584219368
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Energy: -1.832790454990364
Energy: -1.2837490356510564
Energy: -1.1572423814163857
Energy: -1.1135540972328422
Energy: -1.387433051299829
Energy: -1.4209680261055826
Energy: -1.2551831917149474
Energy: -2.6616101111785424
Energy: -1.3798965878397753
Energy: -1.409290572893719
Energy: -1.971820986617963
Energy: -1.0827380762259387
Energy: -1.9684771748478587
Energy: -1.5715213339345635
Energy: -1.7416295808743938
Energy: -2.457928903962853
Energy: -2.5920387386486983
Energy: -3.547832204942888
Energy: -1.1319290300983877
Energy: -1.509789175666868
Energy: -1.2247311537750194
Energy: -1.8310086118326068
Energy: -1.171294130951264
Energy: -1.5313573476112232
Energy: -1.5212320360561884
Energy: -1.7390677663779444
Energy: -1.0166938400687253
Energy: -1.1437795414967515
Energy: -1.5352190166893822
Energy: -1.409737001388186
Energy: -2.0037275186385304
Energy: -1.2534585715030484
Energy: -1.4142973647775967
Energy: -1.4537651752220948
Energy: -2.1011602366108533
Energy: -1.493994657217919
Energy: -1.9471451106707154
Energy: -1.1420785630950185
Energy: -1.298216420929477
Energy: -1.925711692379822
Energy: -1.654655830838097
Energy: -1.4454407592799403
Energy: -2.5351091401705
Energy: -1.208199924078659
Energy: -1.2652513977162672
Energy: -1.8798739853481659
Energy: -1.303238851036483
Energy: -1.4586987639877105
Energy: -1.722168415267993
Energy: -1.4463155399087588
Energy: -1.0184732553404954
Energy: -1.4723040357122117
Energy: -1.8196561361184576
Energy: -1.6668242806181566
Energy: -1.7830201429276382
Energy: -0.9948506425745626
Energy: -1.4776719487907855
Energy: -2.75572625702965
Energy: -2.13653765581752
Energy: -1.4339430708741001
Energy: -2.597752847897843
Energy: -2.323911037892767
Energy: -1.2415154966378068
Energy: -3.1228369896312045
Energy: -1.25970220475041
Energy: -1.2528534759697953
Energy: -2.1574228747603863
Energy: -0.8578689794819245

minimum gb energy = -3.547832204942888 eV
minimum distance =  2.23559886759757 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2919857484725785
Energy: -0.893521636455048
Energy: -0.8725208488707883
Energy: 0.3247074028700415
Energy: -1.9145482449803117
Energy: 0.33081217529844564
Energy: 0.9201997408569406
Energy: -1.9981544083497387
Energy: -1.8693850448024874
Energy: -2.0512578133913353
Energy: -1.9183898646715207
Energy: -2.0289367259013273
Energy: 0.7521620474012692
Energy: -0.06582620709616344
Energy: -0.07362989778046009
Energy: -1.7997124527366775
Energy: -0.059307641861566125
Energy: -1.8471212189619033
Energy: -0.7526129673105744
Energy: -0.39342110293496424
Energy: -1.2850506144610787
Energy: -1.5542035811999095
Energy: -0.03890434428105106
Energy: -1.859083205585243
Energy: -0.6936225489028928
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Energy: -1.8111151857129646
Energy: -0.3228638343173935
Energy: -1.804383921053648
Energy: -1.7939002535176265
Energy: -0.7064682868052807
Energy: -0.31551447053675613
Energy: -0.3040095615946295
Energy: -0.24392527508877906
Energy: -0.3437051416603664
Energy: -0.3082271131232224
Energy: 0.9709268611563755
Energy: -0.9922983567596763
Energy: -0.14950043369754434
Energy: -0.07880112254565806
Energy: -1.5527668052726533
Energy: -1.7051590741071279
Energy: 1.0221689685889612
Energy: -1.6853403586895777
Energy: -0.2619799108552073
Energy: -2.0092707590610583
Energy: -1.9319989340764967
Energy: -1.7849280023206897
Energy: -0.8726004227080479
Energy: -1.8736359769226776
Energy: -0.24031273468112208
Energy: -0.18789413440381839
Energy: -1.929019578015609
Energy: -0.2162389597558009
Energy: -0.807886789080681
Energy: -2.0204540263567217
Energy: -0.20379516385817875
Energy: -0.19310685229109384
Energy: -1.9993428184359012
Energy: -0.21924864563653598
Energy: -0.5234738296105299
Energy: -1.8855508889767845
Energy: -0.32950981400302276
Energy: -0.3659467864381252
Energy: -1.7611581966836032
Energy: -0.3242141228150114
Energy: 0.7989777378973199
Energy: -1.1932441349592529
Energy: -0.0314371394528224
Energy: -1.7147990464447256
Energy: -1.1980653797476093
Energy: -1.8457543132927956
Energy: -0.7479239931966312
Energy: -0.33671530061848876
Energy: -0.27120948568679604
Energy: -1.479591822091455
Energy: -2.0646386053671875
Energy: -1.584229787939734
Energy: -0.6842803605222751
Energy: -1.9290311402228215
Energy: -1.9108415868960698
Energy: -1.9975700903029758
Energy: -1.8923404422833485
Energy: -1.9888493432616572
Energy: -0.7892772717532379
Energy: -0.266016825927828
Energy: -0.33363202123893176
Energy: -0.3387654843292394
Energy: -0.23219523884935186
Energy: -0.32187935918054844
Energy: 0.9243632826571576
Energy: -0.25917930126853983
Energy: -0.26085703505631874
Energy: -1.9391982003281685
Energy: -0.26433491241222995
Energy: -2.083537332489827
Energy: 0.7129886108750708
Energy: -1.9192420618661816
Energy: -2.0284334429436166
Energy: -0.21244037429628032
Energy: -2.000808427566397
Energy: -2.0034593478899594

minimum gb energy = -2.083537332489827 eV
minimum distance =  2.27688135769165 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -2.2297938570091307
Energy: -1.7343315294310853
Energy: -1.1045196102866763
Energy: -1.384083230288266
Energy: -2.30009117594364
Energy: -1.177148669923186
Energy: -1.401928966934599
Energy: -1.3807996587199645
Energy: -4.745120094829599
Energy: -2.476906964262935
Energy: -2.5766333279419382
Energy: -4.507977530306589
Energy: -1.6438497808757109
Energy: -1.9663637364157092
Energy: -1.351813049550146
Energy: -1.3668798850252406
Energy: -1.7446620944706632
Energy: -3.7298774323204076
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Energy: -3.7872328473004244
Energy: -1.7141008632558232
Energy: -2.406108120365398
Energy: -3.333513942667837
Energy: -4.44382151017808
Energy: -2.0095775861411718
Energy: -1.4917612057434995
Energy: -1.7920765004261274
Energy: -1.9447773579719814
Energy: -1.5426989973116314
Energy: -1.5849298752341843
Energy: -2.030052869391284
Energy: -3.1426824195983
Energy: -2.694612222556451
Energy: -2.9957723624284913
Energy: -1.4602901589243822
Energy: -3.4044185850239908
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Energy: -1.5401863583507676
Energy: -1.5611665011183786
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Energy: -1.727929927676086
Energy: -1.273553285755536
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Energy: -3.752534095771176
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Energy: -4.4291439038727844
Energy: -3.9831119700451927
Energy: -1.8113709476042477
Energy: -1.8631486406240407
Energy: -1.6672564165009518
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Energy: -3.620050452637649
Energy: -3.8409867233066266
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Energy: -1.9299395692885901
Energy: -3.418945456161497
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Energy: -1.9090132365133081
Energy: -1.6465278918398427
Energy: -1.999533908759956
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Energy: -1.8199409917969012
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Energy: -1.8691440531381636
Energy: -1.4076576539152943
Energy: -1.4401312872649366
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Energy: -1.3418518699959754
Energy: -2.5408387555851126
Energy: -1.5471090397576508
Energy: -1.6280479337565001
Energy: -2.5374838100098627
Energy: -4.418473237608374
Energy: -1.4696133412970813
Energy: -1.6900407969896722
Energy: -2.5020654713197246
Energy: -4.202659683817566
Energy: -2.0152944478160575
Energy: -3.2394664786465777
Energy: -1.6956038651940908
Energy: -3.3710482995664823
Energy: -1.6104349718956357
Energy: -2.33141538102935
Energy: -1.6403696239558543
Energy: -1.8002384295109932
Energy: -2.5604751346222407
Energy: -2.3243713893739377
Energy: -4.819860893625043
Energy: -1.6830934070376702
Energy: -1.5381771387977043
Energy: -1.4190720608086664
Energy: -2.3009738574835077
Energy: -1.7256974905101596
Energy: -1.2160170711829514
Energy: -3.7872271031063454
Energy: -1.6445403784968171
Energy: -3.4070628991400134
Energy: -1.6844384438639064
Energy: -1.9029938485795312
Energy: -1.6161459188367637
Energy: -2.6103722679285037
Energy: -4.218572610380348
Energy: -3.0792240404432207
Energy: -2.0841356443295784
Energy: -2.902533206741841

minimum gb energy = -4.819860893625043 eV
minimum distance =  2.24189066295098 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: -1.7745971047519815
Energy: -2.827566966999084
Energy: -1.542713798521128
Energy: -1.9901246424057446
Energy: -2.241462369298231
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Energy: -1.386681546447488
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Energy: -1.09438102998228
Energy: -1.3232384025991781
Energy: -2.059903844693598
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Energy: -1.4985987766865188
Energy: -3.251186719065982
Energy: -1.3840898247661517
Energy: -2.3613788166163854
Energy: -1.309915938562314
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Energy: -2.380896787329986
Energy: -2.64198124187571
Energy: -1.8313097022777933
Energy: -1.8187122236536142
Energy: -2.2137383610289927
Energy: -2.7309414054191947
Energy: -1.9325381438803466
Energy: -1.6976863019233916
Energy: -1.868390858782398
Energy: -1.901365260527599
Energy: -1.6211522485331125
Energy: -1.5481574238076339
Energy: -2.1361375876650084
Energy: -1.4418248127175806
Energy: -1.8003027127467839
Energy: -1.23398935863675
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Energy: -1.6271927148780743
Energy: -2.581147306625003
Energy: -1.6636315298003332
Energy: -1.9698704293810332

minimum gb energy = -3.8687718718204627 eV
minimum distance =  2.18239014212656 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -1.4083057846998235
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Energy: -1.3307439655462083
Energy: -1.063412593789337
Energy: -0.9988706068700137
Energy: -1.1068515820363591
Energy: -1.177368346261347
Energy: -1.2625383330386692
Energy: -0.8650984570713649
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Energy: -1.1622029835479082
Energy: -0.5034454352505723
Energy: -0.9270365092962323
Energy: -1.1757361213592095

minimum gb energy = -2.919423192626456 eV
minimum distance =  2.23992020658677 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: -2.225696936939661
Energy: -1.9965293927338883
Energy: -1.8559598839654488
Energy: -1.0990781500820441
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Energy: -2.7464842160188954
Energy: -2.1708727193085964
Energy: -2.4433127356645987
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Energy: -2.7082078274373447
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Energy: -0.9898247976553879
Energy: -2.6208947460884717
Energy: -0.7877613118895248
Energy: -0.710170738636811
Energy: -2.578726010399824
Energy: -1.8213062837380483
Energy: -0.8465533406446861
Energy: -1.0269219312701217
Energy: -1.1031605007769314
Energy: -0.9614794886019863
Energy: -2.683713644817391
Energy: -2.226633624474899
Energy: -2.6818357951955436
Energy: -2.3978660998791574
Energy: -2.3930575933125664
Energy: -2.4811892919675134
Energy: -2.4365885359268145

minimum gb energy = -3.0651456543794895 eV
minimum distance =  2.31347773481286 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.016657478838806576
Energy: -3.971082625345514
Energy: -3.99800306612626
Energy: 0.016129171591024984
Energy: -2.497062259138265
Energy: -0.04328682009807058
Energy: 0.01764805055990499
Energy: -4.280513649893823
Energy: -4.4128148387631345
Energy: -2.114978613057174
Energy: -4.340611840365739
Energy: -4.216795729443155
Energy: -2.568434647197628
Energy: -2.7598851585897544
Energy: -2.770630853089351
Energy: -2.9604944658731975
Energy: -2.574217680336024
Energy: -2.875444984945581
Energy: -2.1798302966369145
Energy: -4.133323779354235
Energy: -4.388797240973904
Energy: -2.231496112027374
Energy: -4.305323838080331
Energy: -4.178854307869004

minimum gb energy = -4.4128148387631345 eV
minimum distance =  2.35488794941103 Angstroms
sigma value = 1