Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
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=3.623951092362404
cohesive_energy=4.187902403425222
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=[1.86680814863778e-19, 2.6669992467227396e-19, 3.28111355053494e-19, 3.78113685624e-19, 4.2013557438055194e-19, 4.56106041990486e-19, 4.8725395793208e-19, 5.144284758213539e-19, 5.38241627132496e-19, 5.591628496192679e-19, 5.775510308476859e-19, 5.93697766965138e-19, 6.078385779368219e-19, 6.20167327135452e-19, 6.30850640930964e-19, 6.40026306513882e-19, 6.4781769148502395e-19, 6.543273351489659e-19, 6.59644959397212e-19, 6.63855479591364e-19, 6.67027789326684e-19, 6.692259756685321e-19, 6.705061147990979e-19, 6.709226807239379e-19, 6.704772756196859e-19, 6.690369188257199e-19, 6.66431779618836e-19, 6.62456779389882e-19, 6.568731938203919e-19, 6.49384620233076e-19, 6.396401819450879e-19, 6.272072912652479e-19, 6.115668429641399e-19, 5.92077966388164e-19, 5.67950788456758e-19, 5.3820317489328e-19, 5.016030518661839e-19, 4.56593103687222e-19, 4.0118342697696596e-19, 3.32799323884578e-19, 2.4807301912538996e-19, 1.425493401332382e-19, 1.0260355185902339e-20, -1.5694585849570858e-19, -3.7043445301723794e-19, -6.46640091659034e-19, -1.0113531719162578e-18, -1.507986271863774e-18, -2.21478489177624e-18, -3.2838052072800596e-18, -5.0368748366701795e-18, -8.226680340833459e-18, -1.482769613821248e-17, -3.0714046509106796e-17]
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: 0.01607293007325221
Energy: -3.383208784279395
Energy: 0.01642978115051851
Energy: 0.01624731944383971
Energy: -3.3851738386835057
Energy: 0.016319880659649864
Energy: -3.371031976755611
Energy: -4.3491859927773895
Energy: -4.346413157655896
Energy: -4.347649504581154
Energy: -4.349245876646409
Energy: -4.346464802810575
Energy: 0.01642978115051851
Energy: -4.346413157656207
Energy: -4.3465169691361485
Energy: 0.016437317711818764
Energy: -4.348545879251292
Energy: -4.347515390890715
Energy: 0.01624731944383971
Energy: -4.347649504581154
Energy: 0.016437317712408216
Energy: 0.016336743886412958
Energy: -4.348561497152021
Energy: 0.016490742961410353
Energy: -3.3854731768824378
Energy: -4.349245876646409
Energy: -4.34854587925098
Energy: -4.348561497152021
Energy: -4.346147249672292
Energy: -4.348815337892579
Energy: 0.016319880659961924
Energy: -4.34646480280995
Energy: -4.347515390891028
Energy: 0.016490742962346542
Energy: -4.348815337892891
Energy: 0.01632489404839333

minimum gb energy = -4.349245876646409 eV
minimum distance =  2.55967335757296 Angstroms
sigma value = 1


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

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Energy: -3.565591645186473
Energy: -2.626380414060527
Energy: -2.7853005459790037
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Energy: -2.02710324961629
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Energy: -2.9490335561877923
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Energy: -2.3641815523328695
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Energy: -1.6013785557314824
Energy: -2.59636954652122
Energy: -1.5787786709313707
Energy: -3.8647676826939303
Energy: -3.329707355241113
Energy: -2.1443178332047355
Energy: -3.6484684488014425
Energy: -3.298952653971237
Energy: -3.6312379702936575
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Energy: -4.980931456466477
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Energy: -3.588328427633303
Energy: -2.8193919802448493
Energy: -2.573654892096422
Energy: -1.7708201705230528

minimum gb energy = -5.023919639021242 eV
minimum distance =  2.30295090170981 Angstroms
sigma value = 33


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

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Energy: -0.8101532208059595

minimum gb energy = -4.489087389096798 eV
minimum distance =  2.31503059322098 Angstroms
sigma value = 51


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

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Energy: -1.1368985736253296
Energy: -1.7393260160422679
Energy: -2.7811693758250167
Energy: -1.0290352496390838
Energy: -0.9761827690486898
Energy: -1.8987271059952426
Energy: -0.9405774911620988
Energy: -1.074252084141836
Energy: -1.5363806725302733
Energy: -1.1875904498334524
Energy: -1.1489848394748061
Energy: -1.2188749793804796
Energy: -1.481973474449771
Energy: -0.97390157855661
Energy: -1.3079840826014568
Energy: -1.5154750382859352
Energy: -0.9482286319466985

minimum gb energy = -2.7811693758250167 eV
minimum distance =  2.35096390248892 Angstroms
sigma value = 19


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

Energy: 0.8995395547670231
Energy: -0.46681774783818386
Energy: -0.18313953927158153
Energy: -0.1903781885095212
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Energy: -0.3424269222489543
Energy: -0.343336704495202
Energy: -0.6442488084651804
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Energy: -0.3404157769160189
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Energy: -0.3935029870691837
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Energy: -0.3417151997688513
Energy: -0.34328006241242914
Energy: -0.6254988061343244
Energy: -0.7217982166653396
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Energy: -0.5647261306644102
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Energy: -1.1739394914534251
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Energy: 0.31053622303803724
Energy: -0.5829279472756882
Energy: -0.5810973469370603
Energy: 0.5650252118477338
Energy: -1.3864438279463032
Energy: -0.5824547701333896
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Energy: -0.9348504412492952
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Energy: -0.6706464583494042
Energy: -0.7230070918224885
Energy: -0.7241529511247509
Energy: -0.6700287989914017
Energy: -0.7229352667163134

minimum gb energy = -3.394394062429635 eV
minimum distance =  2.39148962444318 Angstroms
sigma value = 27


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

Energy: 0.7892495378101813
Energy: -2.628673943561755
Energy: -0.7988309601486213
Energy: -0.8502362061762825
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Energy: -0.8171120084863308
Energy: -0.9429927231193048
Energy: -0.9424536805876073
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Energy: -1.0144303685638756
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Energy: 0.35115717016684683
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Energy: -0.9314342889008645
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Energy: -0.8636376071389573
Energy: 0.4168243177297729
Energy: -0.8526762686218753
Energy: -0.7821040926331047
Energy: -0.7070164960226182
Energy: -0.8654503733894026
Energy: -0.7869386213511523
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Energy: -0.8360070505945962
Energy: -0.8165515140161126
Energy: -0.7397787892804994
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Energy: -0.9027436124501645
Energy: -1.0047919498707323
Energy: -0.8351226692946505
Energy: -0.7294429647259507
Energy: -0.9012557146766917

minimum gb energy = -2.628673943561755 eV
minimum distance =  2.35436878246371 Angstroms
sigma value = 9


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

Energy: 1.1763808815469694
Energy: -2.0329752674138954
Energy: -1.7098667725759267
Energy: -1.3539524355269077
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Energy: -1.56332567495779
Energy: -3.9403494483433508
Energy: -1.4583349644791865
Energy: -1.8995720935330656

minimum gb energy = -4.621594014446919 eV
minimum distance =  2.26612419658161 Angstroms
sigma value = 57


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

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Energy: -1.121738168435702
Energy: -2.7411101924816084
Energy: -1.783738110142295
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Energy: -0.9893128805596118
Energy: -0.9295576621562577
Energy: -1.3080154029570112
Energy: -1.4356615327577444
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Energy: -2.207180695682592
Energy: -1.7029121747262934
Energy: -1.3802060647913301
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Energy: -2.2399286656159316
Energy: -1.7360022317004724
Energy: -1.9273110326644207
Energy: -1.8837693559867514
Energy: -1.193741719797586
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Energy: -1.1582720910899484
Energy: -1.3907517749918208
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Energy: -1.5069896407824326
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Energy: -1.3998487559014163
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Energy: -0.9988790613693125
Energy: -1.5388519551622961
Energy: -1.6699022198384441
Energy: -1.3489872377322119
Energy: -0.949473810613665
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Energy: -1.6297732805638212
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Energy: -1.360894245987943
Energy: -1.618103027341559
Energy: -1.8560196491227545
Energy: -1.3191523843631452
Energy: -1.2555202088425088
Energy: -1.2650378309478487
Energy: -1.4570477684534855
Energy: -1.9295707514868656
Energy: -1.2607902909221143
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Energy: -1.3729434749862637
Energy: -1.639889218097704
Energy: -1.1974120183280856
Energy: -1.7287078505493718

minimum gb energy = -3.3145684987230197 eV
minimum distance =  2.33338158534497 Angstroms
sigma value = 11


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

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Energy: -2.7102298507372624
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Energy: -2.914403927043826
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Energy: -2.237419379007637
Energy: -2.720052949285846
Energy: -2.6711658638897386
Energy: -2.246705492227991
Energy: -3.0767848651175926
Energy: -2.4217212552336376
Energy: -1.9073772794129502
Energy: -2.709004211480358
Energy: -2.154361585841853
Energy: -2.9926820982364313
Energy: -2.0994611815695903
Energy: -2.6657062083134284
Energy: -2.1794173853505225
Energy: -2.8199780436523723
Energy: -3.3533368219207134
Energy: -2.047346076038095
Energy: -2.1253372621523168
Energy: -2.9042458814565295
Energy: -3.9493934689610515
Energy: -2.834972946895441
Energy: -3.0940397155311543
Energy: -2.927554278442854
Energy: -3.381809248080843
Energy: -3.3263212594905864

minimum gb energy = -4.251589636185886 eV
minimum distance =  2.38260103497304 Angstroms
sigma value = 41


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

Energy: -0.859503794285097
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Energy: -0.5693856020687774
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Energy: -1.288541987326633
Energy: -2.192739356560302
Energy: -1.0288711565238093

minimum gb energy = -2.936594875260721 eV
minimum distance =  2.36943115601089 Angstroms
sigma value = 33


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

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minimum gb energy = -5.201775765001855 eV
minimum distance =  2.38147994690921 Angstroms
sigma value = 67


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

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Energy: -1.055643810228136
Energy: -1.07885719347335

minimum gb energy = -2.426413488462443 eV
minimum distance =  2.35808870146547 Angstroms
sigma value = 3


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

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Energy: -4.655681422662533

minimum gb energy = -5.37279911717199 eV
minimum distance =  2.29737294630658 Angstroms
sigma value = 81


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

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Energy: -1.0996294791456722
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Energy: -2.1315040955736495
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Energy: -2.3548449520843193
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Energy: -1.5369705341187694
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Energy: -2.3047385431958003
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Energy: -3.174557053350015
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Energy: -3.343493067568925
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Energy: -3.6866604903456968
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Energy: -2.2298987462255635
Energy: -2.4401385659680175
Energy: -2.1759686141498675
Energy: -2.647688240943856
Energy: -3.585648561687213
Energy: -1.4740534085666963
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Energy: -1.8119953567487288
Energy: -1.6868717259709192
Energy: -1.4880991000674253
Energy: -2.1560974778835367
Energy: -2.675190025280641
Energy: -3.311242974024542
Energy: -2.480621735845904
Energy: -2.623234978872231
Energy: -3.1135995816035322
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Energy: -3.3930668126478865
Energy: -1.567280595109973
Energy: -3.5556860007078606
Energy: -1.8153348238937044
Energy: -1.5443651133285428
Energy: -1.1945394660574438
Energy: -1.6161727459387523
Energy: -1.1082749532669238
Energy: -3.595238449331755
Energy: -1.9525925557550983
Energy: -3.165218190545279
Energy: -1.9420234270845356
Energy: -2.7440340039504214
Energy: -1.9192462356104616
Energy: -1.4279256287484485
Energy: -1.3877916715185452
Energy: -2.9288687638678477
Energy: -2.423481075301409
Energy: -1.0336960222862437
Energy: -1.2253522165552753
Energy: -1.1779599241826602
Energy: -1.071751171280188
Energy: -1.1675526911323826

minimum gb energy = -3.6866604903456968 eV
minimum distance =  2.39408954266577 Angstroms
sigma value = 43


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

Energy: -0.9367874618566101
Energy: -0.48688440583009596
Energy: -0.9886396616744354
Energy: -1.0307653202680742
Energy: -0.48438815624994447
Energy: -0.9989513137205575
Energy: -1.2530000400711057
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Energy: -0.9251610390389092
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Energy: -1.0436153705736642
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Energy: -0.9751237463568756
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Energy: -1.1428236950648967
Energy: -1.2318602299840313
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Energy: -1.1179248612779678
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Energy: -2.7243459198662454
Energy: -1.6056506698571305
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Energy: -2.0379722661511486
Energy: -2.9161044403362215
Energy: -1.0542428673736273
Energy: -1.1407401425378947
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Energy: -1.0970744505931818
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Energy: -1.1102379099128923
Energy: -1.5436920922086796
Energy: -0.9746768210356481
Energy: -1.0136243082598282
Energy: -2.029953679585101
Energy: -0.9335234048622688
Energy: -1.0090666420477863
Energy: -1.1928040208842985
Energy: -0.8845515239931963
Energy: -1.7220863250103666
Energy: -1.4803542159711252
Energy: -0.8668939516263683
Energy: -1.0000811678221
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Energy: -0.9426545074179431
Energy: -0.9459287045446289
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Energy: -1.093886460684754
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Energy: -1.7985735763662283
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Energy: -2.6522143656671093
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Energy: -1.0052496350986508
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Energy: -1.171145690782967
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Energy: -1.0226951067103403
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Energy: -1.4138490710043818
Energy: -1.5367808547293815
Energy: -0.8755244095691271
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Energy: -1.0531166756592896
Energy: -1.1348521887794245
Energy: -1.0899080293459973
Energy: -0.8251857877599853
Energy: -1.1489991966721778
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Energy: -1.021897626369151
Energy: -1.0451890809929676
Energy: -1.0769978689954136
Energy: -1.0152355065810807
Energy: -1.039788641931811
Energy: -2.7678510625374604
Energy: -1.073467140163648
Energy: -1.0718460524009612
Energy: -1.0917262927215485
Energy: -1.0434522596211977
Energy: -1.0742627229495436
Energy: -2.595740663394313
Energy: -1.0202104440871789
Energy: -1.07685391245875
Energy: -1.8047777649708932
Energy: -1.0030382974666303
Energy: -1.074453896072041
Energy: -2.4650030843745605
Energy: -1.1770275204442524
Energy: -2.6613441044674753
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Energy: -1.2149683019963657
Energy: -2.1628923775907603
Energy: -2.6934223964774566
Energy: -1.060991468902735
Energy: -2.697146808891339
Energy: -1.2342935884560378
Energy: -1.0183831786534707
Energy: -1.6152290716151723
Energy: -1.1395122755627078
Energy: -1.7388189394846896
Energy: -1.6719741928942544
Energy: -2.1989491193793556
Energy: -2.7590216322289605
Energy: -2.5573057059404194
Energy: -1.253292319188776
Energy: -1.0521292096735204
Energy: -1.0856933902856205
Energy: -0.8669468389176889
Energy: -2.728539560450516
Energy: -1.085665123868956
Energy: -1.2143084132653854
Energy: -0.952678429491207
Energy: -0.999859538096405
Energy: -1.0225562097013199
Energy: -2.185813908256942
Energy: -0.9594784345450538
Energy: -1.858448869308677
Energy: -1.156434028482018
Energy: -0.9874503971630396
Energy: -1.038896395873933
Energy: -0.8845108101279467
Energy: -0.9885921231976287

minimum gb energy = -2.9161044403362215 eV
minimum distance =  2.41726019106454 Angstroms
sigma value = 57


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

Energy: -1.5214340911186353
Energy: -1.025721257065393
Energy: -1.2930636166623848
Energy: -1.0471267165835738
Energy: -0.9865673551728519
Energy: -1.288069496063467
Energy: -1.7470246318976663
Energy: -1.1353965982850225
Energy: -1.1900180840291692
Energy: -1.433100479344858
Energy: -1.1347829981061124
Energy: -1.2008895613007244
Energy: -1.4063551651388977
Energy: -1.1639984666128835
Energy: -1.2090826821292764
Energy: -1.2681372414962717
Energy: -1.2681704585794193
Energy: -1.209935696620351
Energy: -1.9642941069658035
Energy: -1.1664349995613212
Energy: -1.2070491502623943
Energy: -1.2237311550322605
Energy: -1.2045346555778034
Energy: -1.1782321315309618
Energy: -1.934336554988442
Energy: -1.1826064629278719
Energy: -1.197308549731549
Energy: -1.2396716586174625
Energy: -1.2226641364829267
Energy: -2.059265875060796
Energy: -1.5979784751257742
Energy: -1.254774144190501
Energy: -1.2390948845926022
Energy: -1.3669684142269427
Energy: -1.3160032543017173
Energy: -1.2314497408501903
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Energy: -1.1113130407272571
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Energy: -1.1417576877067381
Energy: -1.1868486186277003
Energy: -1.1897639235704034
Energy: -1.7769859172486941
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Energy: -1.3115458795096429
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Energy: -1.224424748145569
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Energy: -1.262631887707927
Energy: -1.3760007766002609
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Energy: -1.1870874016562758
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Energy: -1.1708763439077094
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Energy: -1.169939890094646
Energy: -1.1718972382367074
Energy: -2.2981585167483085
Energy: -1.6432200224726807
Energy: -1.3072279994610452
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Energy: -1.2793300840956292
Energy: -1.4289555314839535
Energy: -1.9665074504069626
Energy: -1.7041649037729665
Energy: -1.220934547275041
Energy: -3.1878261772425924
Energy: -1.6020624839648396
Energy: -2.3415193009795394
Energy: -1.5689643249563388
Energy: -1.2639017355937965
Energy: -1.247835322952538
Energy: -1.854348385355718
Energy: -1.2651101501074629
Energy: -1.2402016503008895
Energy: -1.5478603974887635
Energy: -1.2645958501515695
Energy: -1.2516025811522373
Energy: -1.2827610587759086
Energy: -1.2683252121310016
Energy: -1.2403503711104336
Energy: -1.5008787148134946
Energy: -1.2281706075672976
Energy: -1.2327509456710966
Energy: -1.2564508045627976
Energy: -1.2347540869824234
Energy: -1.2289469604179561
Energy: -1.49356596615284
Energy: -1.2344420626538763
Energy: -1.2485646072950465
Energy: -0.9899976011598906
Energy: -1.2036628620606287
Energy: -1.24407657320571
Energy: -2.3726181624358555
Energy: -1.229728101178091
Energy: -1.2317025130906958
Energy: -1.15976083344814
Energy: -1.2314355406148783
Energy: -1.282997591263465
Energy: -2.354442797564172
Energy: -1.2607672940844128
Energy: -1.3757424309020712
Energy: -1.354846593834586
Energy: -1.270248893810994
Energy: -1.376635905933277

minimum gb energy = -3.1878261772425924 eV
minimum distance =  2.37642554691057 Angstroms
sigma value = 17


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

Energy: -1.2718784788299584
Energy: -1.465436054305811
Energy: -1.3081637249873495
Energy: -1.248455520473004
Energy: -1.4290412384007096
Energy: -1.2488794336238862
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Energy: -1.2152735284893867
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Energy: -1.3054909608564464
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Energy: -1.2202686058354923
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Energy: -1.345259098064014
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Energy: -1.3460223272937628
Energy: -1.2782844661265702
Energy: -1.4947853285046342
Energy: -1.4126119050336199
Energy: -1.5699401070010315
Energy: -1.5519172627624611
Energy: -1.585644040043992
Energy: -1.3961488969166127
Energy: -2.0400312778593213
Energy: -1.7010431342668202
Energy: -1.7595284585416073
Energy: -1.4872630586148314
Energy: -1.9049485669908894
Energy: -1.637909928076848
Energy: -2.3213273861659047
Energy: -1.5401611941970783
Energy: -1.467871655170453
Energy: -1.5057917162863572
Energy: -1.4269088253466977
Energy: -2.208173687947227
Energy: -1.987825125584521
Energy: -1.330966474321944
Energy: -1.3474553743267763
Energy: -1.3436369865482358
Energy: -1.3491041632876015
Energy: -1.3313313582990682
Energy: -2.131248546167941
Energy: -1.3398121173747073
Energy: -1.3467185088975129
Energy: -1.3474084273393694
Energy: -1.3392348991823468
Energy: -1.347043096574075
Energy: -1.3193750127289712
Energy: -1.3817778964951637
Energy: -1.511150989901303
Energy: -1.2660661895612093
Energy: -1.3051030821868552
Energy: -1.2134432701562223
Energy: -1.4794928056904548
Energy: -1.3649583819555025
Energy: -1.3668853290740473
Energy: -1.2670897945455029
Energy: -1.4224748163128715
Energy: -1.4035959498017474
Energy: -1.9551321139042335
Energy: -1.2858818338168017
Energy: -1.2981940076711436
Energy: -1.3764947805163001
Energy: -1.1862090754279986
Energy: -1.3341062366546699
Energy: -1.6083425470310655
Energy: -1.2580807070452797
Energy: -1.3120661000743348
Energy: -1.1334291096637035
Energy: -1.259680217983059
Energy: -1.1526441599138861
Energy: -1.2757594250233701
Energy: -1.2201566166371678
Energy: -1.2341493844455558
Energy: -1.3826367071321002
Energy: -1.3120928779897507
Energy: -1.3372032083891277
Energy: -1.4293048928156606
Energy: -1.3600494030684644
Energy: -1.1251339049755553
Energy: -1.3322280133963336
Energy: -1.3749457713772293
Energy: -1.2116187768704476

minimum gb energy = -2.3213273861659047 eV
minimum distance =  2.35374359921735 Angstroms
sigma value = 17


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

Energy: -1.771095927292124
Energy: -2.0709639600773864
Energy: -1.9059174331994213
Energy: -2.108205265378783
Energy: -1.4398449141321408
Energy: -1.908348960440298
Energy: -1.8944312166760224
Energy: -2.0751220040398484
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Energy: -2.681972211942375
Energy: -1.8825216155162006
Energy: -2.031573697745973
Energy: -1.7220812546913398
Energy: -2.7603651086245247
Energy: -2.098647494056914
Energy: -2.2172854837785296
Energy: -3.721340614767352
Energy: -2.145733834941396
Energy: -2.100358010352245
Energy: -1.858344926196378
Energy: -3.051056274279824
Energy: -2.0957079379998693
Energy: -2.178298160492943
Energy: -1.9194290911572263
Energy: -1.8921162200894064
Energy: -2.8606029265991033
Energy: -2.1690180280846274
Energy: -2.838506994404222
Energy: -2.7728796511164586
Energy: -2.4278959273416034
Energy: -2.1573731721508476
Energy: -2.2097297636071396
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minimum gb energy = -4.402035838654491 eV
minimum distance =  2.2978388971833 Angstroms
sigma value = 57


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

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minimum gb energy = -5.147759953024021 eV
minimum distance =  2.33702035480972 Angstroms
sigma value = 43


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

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Energy: -2.32052706962391
Energy: -2.118366503991943
Energy: -1.9231211999050601
Energy: -1.5781043422209284
Energy: -2.254162915946077
Energy: -2.1228016440477457
Energy: -2.1560271153286417
Energy: -2.2215741633402093
Energy: -2.0846952287937572
Energy: -2.3006013114969575
Energy: -2.3251993023409976
Energy: -2.300089366296435
Energy: -1.6091210184777516
Energy: -1.5582617422353946
Energy: -1.684650711271019

minimum gb energy = -3.414962729688905 eV
minimum distance =  2.33768366164615 Angstroms
sigma value = 81


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

Energy: -0.017573710300700353
Energy: -0.07143983401514813
Energy: -0.07544070690972016
Energy: -0.01571363313446013
Energy: -0.10748316115439449
Energy: -0.07598961915453077
Energy: -0.041588932282149695
Energy: -0.009420398046242898
Energy: -0.07342254563162122
Energy: -0.11100878739766054
Energy: -0.013642328227057115
Energy: -0.1254306485445739
Energy: -0.04389957409156968
Energy: -0.1087737604756672
Energy: -0.10372924092456012
Energy: -0.11128829219701601
Energy: -0.07304269921522168
Energy: -0.08031318254705216
Energy: -0.014531256832825344
Energy: -0.108258675103738
Energy: -0.10873695057968538
Energy: -0.012872264697162536
Energy: -0.07327059573795142
Energy: -0.17486095440721192
Energy: -0.08795174198445399
Energy: -0.11124896850794823
Energy: -0.11070496913954456
Energy: -0.10924761088755519
Energy: -0.10916157559271769
Energy: -0.07403722140774746
Energy: -0.01675601547443505
Energy: -0.07982956460674567
Energy: -0.10884102712348279
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Energy: -0.11090720524396876
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Energy: -0.043610523258076066
Energy: -0.04239119511603217
Energy: -0.08003836487244295
Energy: -0.11087020393142694
Energy: -0.07233899644920988
Energy: -0.08025732235052371
Energy: -0.016123421108826225
Energy: -0.07336070175940967
Energy: -0.1078640629827642
Energy: -0.014831044164851046
Energy: -0.10833175014928506
Energy: -0.13603319290511084
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Energy: -0.11106909706558742
Energy: -0.110839759775049
Energy: -0.1089825335426958
Energy: -0.10964742245657873
Energy: -0.11122109200248921

minimum gb energy = -0.17486095440721192 eV
minimum distance =  2.45471313534037 Angstroms
sigma value = 3


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

Energy: -3.178920506558607
Energy: -2.8760741538426418
Energy: -3.0395222232836696
Energy: -2.9836394865906204
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Energy: -2.965862486973729
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Energy: -2.7954316353585558
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Energy: -2.893404877515548
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Energy: -3.174328711583481
Energy: -3.1265551874500903
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Energy: -2.811863419554755
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Energy: -3.254983097436723
Energy: -3.1095655786534433
Energy: -3.5696708572941307
Energy: -2.818559832983425
Energy: -2.8957304132636903

minimum gb energy = -3.5696708572941307 eV
minimum distance =  2.390597868118 Angstroms
sigma value = 67


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

Energy: -4.039282425373804
Energy: -3.3017123447725276
Energy: -3.931914477249364
Energy: -4.554787999799713
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Energy: -3.801401350971812
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Energy: -0.03228740568115585
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Energy: -3.8701045278530977
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Energy: -3.4433448910266327
Energy: -4.0213460910097725
Energy: -3.180986117688282
Energy: -3.1775344575376927
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Energy: -4.049907729733853
Energy: -3.1849325838439015
Energy: -3.2841459180265935
Energy: -2.1432601338602053
Energy: -3.2535426866706203
Energy: -3.1258264196850436

minimum gb energy = -4.645711864976737 eV
minimum distance =  2.33278501865719 Angstroms
sigma value = 33


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

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Energy: 0.15503026079306206
Energy: -1.908838259107995
Energy: -2.8891831185744086
Energy: -1.920250063389129
Energy: -1.8638747202019919
Energy: -1.8465063481056514
Energy: -2.305855234556025
Energy: -3.635807344143538
Energy: -3.1127965718545707
Energy: -4.044081927443849
Energy: -3.811451655378075
Energy: -3.83505069761508
Energy: -2.8050582729202365
Energy: -1.8674642510815507
Energy: -2.1389984668548827
Energy: -1.7576248308268765
Energy: -1.8395217084883766
Energy: -2.092372078315394
Energy: 0.11054838239183397
Energy: -1.6428849432272095
Energy: -1.7830808468914303
Energy: -2.3679216928307505
Energy: -1.5039160444596933
Energy: -1.7152295358937835
Energy: 0.07667475974971032
Energy: -1.9533883453454903
Energy: -1.5410746483890687
Energy: -2.0636324917292104
Energy: -1.9565747073667157
Energy: -1.8389848302522025
Energy: 0.16398278800906937
Energy: -1.576217726069877
Energy: -2.17891897530801
Energy: -1.914993924183673
Energy: -2.1342601082849826
Energy: -1.4937797060680604
Energy: -2.571310897716634
Energy: -1.9060640919250875
Energy: -2.8162113690000057
Energy: -3.6391885660033596
Energy: -2.6841653842395754
Energy: -3.430436956345778
Energy: -1.9209778180219943
Energy: -2.1048906994478003
Energy: -1.6793433776443996
Energy: -1.6561849224991718
Energy: -3.1158101774297404
Energy: -2.242146508877789
Energy: 0.011907573646450632
Energy: -2.1386285706364485
Energy: -2.382813069717754
Energy: -2.31561588218774
Energy: -1.3885515572992102
Energy: -3.0811066500019475

minimum gb energy = -4.386217800369993 eV
minimum distance =  2.38024092480009 Angstroms
sigma value = 41


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

Energy: -1.628161353863703
Energy: -1.8184289196113608
Energy: -1.7225004958019485
Energy: -1.8202021639437311
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Energy: -2.17748311992355
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Energy: -2.1547618713260768
Energy: -2.1555619273260276
Energy: -1.8877091229364436
Energy: -1.7925190543959844
Energy: -2.3005048918250512
Energy: -1.701678176677391
Energy: -1.9771137364448188
Energy: -1.8674683481473955
Energy: -1.9028151441002437
Energy: -1.7608902155343507
Energy: -1.478078580162635
Energy: -1.5910143427193442
Energy: -1.9786579196998475
Energy: -1.5278863188152347
Energy: -2.367719253989281
Energy: -1.5802672609320874
Energy: -1.8400533531966488
Energy: -2.0582716866945883
Energy: -1.5913830767304376
Energy: -1.7465506026112239
Energy: -2.010805407939612
Energy: -1.3175393134491977
Energy: -1.7837653353348624
Energy: -0.656388165871015
Energy: -1.535940975884679
Energy: -1.6389235090692598
Energy: -1.529440323710827
Energy: -1.4085784847487128
Energy: -1.4302077338774137
Energy: -1.464692966248671
Energy: -1.8863993443454394
Energy: -3.4316909781799882
Energy: 0.06012496309968073
Energy: -1.5734615785201016
Energy: -1.8592618126743192
Energy: -1.6205886842363222
Energy: -1.5536997033084614
Energy: -1.9262953367455566
Energy: 0.17209792173895777
Energy: -1.7581278448500213
Energy: -1.8238360023384674
Energy: -1.5617623109716083
Energy: -2.0773288729102
Energy: -1.6146152059306835
Energy: -1.6910948671905128
Energy: -1.6301176020785153
Energy: -1.5118348056615687
Energy: -1.9957630204383552
Energy: -1.7543152777448272
Energy: -1.8963303649467393
Energy: -1.9254846411990556
Energy: -1.5650709063028763
Energy: -1.8441402241535845
Energy: -1.8647879201829514
Energy: -1.6745556764061647
Energy: -2.0950379433208086
Energy: -1.8609325149217615
Energy: -1.659949255907148
Energy: -1.2263786694979395
Energy: -1.3567020248241528
Energy: -1.593651390815974
Energy: -1.9688079778739342
Energy: -2.6000187689246963
Energy: -1.5933074502698616
Energy: -1.9203989717039516
Energy: -2.2528153681141516
Energy: -1.4880769709784427
Energy: -1.7758957244180413

minimum gb energy = -3.4316909781799882 eV
minimum distance =  2.38097609749248 Angstroms
sigma value = 11


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

Energy: -1.507700071705622
Energy: -1.6343936783706994
Energy: -1.0082288075976014
Energy: -1.2179040462175668
Energy: -1.7998803124316125
Energy: -1.2369977985495602
Energy: -1.5026950462795223
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Energy: -2.0755612079239705
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Energy: -1.680240706404689
Energy: -1.4563419062270113
Energy: -1.7415442997110426
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Energy: -0.9933172730202925
Energy: 0.3940212346966519
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Energy: -1.5939049070934188
Energy: -1.6626464260831495
Energy: -2.672994885306414
Energy: -1.7912840290981393
Energy: 0.39529417530447253
Energy: -2.2782446995212804
Energy: -1.8420807785248292
Energy: -1.655269972006243
Energy: -0.9636248314158083
Energy: -2.541235421107748
Energy: 0.5243357987389029
Energy: -2.019674202784022
Energy: -2.0000282728618117
Energy: -1.1964679601059045
Energy: -2.7185052790821502
Energy: -2.062910876217703
Energy: -1.7367382250338452
Energy: -2.139490626237196
Energy: -2.527899645655651
Energy: -2.7905650558060398
Energy: -2.1363856994762864
Energy: -1.6590960943502304
Energy: 0.36609740958525283
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Energy: -1.6864223045074467
Energy: -2.513086754666031
Energy: -2.51398685789701
Energy: 0.3829546704075376
Energy: -1.3161880258045087
Energy: -1.076261885710997
Energy: -2.4561672956890144
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Energy: -1.5795144114304325
Energy: -2.009995912865348
Energy: -2.171692696589301
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Energy: -2.565497531195862
Energy: -1.7894449812793365
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Energy: -1.5458108562174038
Energy: -1.3092835101239626
Energy: -1.8693300466164287
Energy: -1.1411279102697107
Energy: 0.38844516093736836
Energy: -2.054557746339964
Energy: -2.620506030622201
Energy: -2.000853472708418
Energy: -1.9535918881066388
Energy: -2.3550224649360727
Energy: 0.3787787564411111
Energy: -2.732188824271147
Energy: -1.5904827556657173
Energy: -2.7596421394411976
Energy: -2.767527758337088
Energy: -2.0782591300878512
Energy: 0.3980757996611955
Energy: -2.123491018909593
Energy: -2.314505409687217
Energy: -2.296262504015437
Energy: -1.9161903698543963
Energy: -2.3601563619214483
Energy: -2.293574201714151
Energy: -0.8588033380320227
Energy: -1.0904399181431896
Energy: -1.8653874756173872
Energy: -1.9855648025245185
Energy: -1.4019145141913774
Energy: -1.1231922646482768
Energy: -1.8056308157053564
Energy: -2.102488611819701
Energy: -2.3829484829727603
Energy: -2.4827701711575223
Energy: -2.332260355089335
Energy: -1.7853676264109761
Energy: -1.9525291643020064
Energy: -2.509065123154241
Energy: -1.9949827099738806
Energy: -1.3996964836134962
Energy: -1.190257623595697

minimum gb energy = -2.916485830521494 eV
minimum distance =  2.31147715479922 Angstroms
sigma value = 57


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

Energy: 1.0723932451787357
Energy: -0.61672686140155
Energy: -0.5487794916310329
Energy: -0.1368299864937393
Energy: -0.689756744174301
Energy: -0.6389523612799882
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Energy: -0.7532573857806384
Energy: -0.7562328676101919
Energy: -0.8969118116788075
Energy: -0.6264191314274503
Energy: -0.6617077737753675
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Energy: -0.6715841569585631
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Energy: -0.8948657270618872
Energy: -0.6793601092556477
Energy: -0.8968498579708148
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Energy: -0.7913614345445834
Energy: -0.7915553620814025
Energy: -0.8990074052328321
Energy: -0.7918471619235743
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Energy: -0.7544581322066003
Energy: -0.6833396971864657
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Energy: -0.8014126868983203
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Energy: -0.6471957668408022
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Energy: -0.7162498628619143
Energy: -0.9366080996198358
Energy: 0.6283109503892587
Energy: -0.8986468518661623
Energy: -0.6656122524438837
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Energy: -0.5431380273732808
Energy: -0.6759944008562441
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Energy: -0.7235510512383556
Energy: -0.6287262760617535
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Energy: -0.867028748094863
Energy: -0.5198398369154738
Energy: 0.6252308735609474
Energy: -1.067183555132973
Energy: -0.785359716661127
Energy: -0.7921785838787819
Energy: -1.0674389509597522
Energy: -0.7847445852902055
Energy: 0.8126774968343385
Energy: -1.0672935361168066
Energy: -1.0662159672235725
Energy: -0.8503333867210885
Energy: -1.0673797474436268
Energy: -0.59910859915774
Energy: 0.66853712635179
Energy: -0.6527173999068611
Energy: -0.649986027922895
Energy: -0.8945220443913432
Energy: -0.5744953311685612
Energy: -0.6525086262939133

minimum gb energy = -1.4624538055876501 eV
minimum distance =  2.37949782877611 Angstroms
sigma value = 9


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

Energy: -1.202910808220082
Energy: -3.244609244300812
Energy: -1.0444524012407832
Energy: -1.123021214599644
Energy: -3.6217449375069415
Energy: -1.207363320842773
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Energy: -2.6477242567184858
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Energy: -2.4461786805096204
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Energy: -3.5250603878070335
Energy: -2.910786227533043
Energy: -2.8732293028700595
Energy: -4.267995813596905
Energy: -3.301694873912963
Energy: -3.8834653384191675
Energy: -3.5782129974403247
Energy: -3.30663836486392
Energy: -4.094043179589415
Energy: -3.3869305685419118
Energy: -2.34904703440296
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Energy: -3.7204754836697775
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Energy: -1.3506500602904117
Energy: -3.795651481533433
Energy: -3.2872486291794094
Energy: -3.009447139407716
Energy: -2.8571299193286968
Energy: -1.329900973329736
Energy: 0.597459133704156
Energy: -3.2095084969139727
Energy: -4.010998202064976
Energy: -3.7758174594197254
Energy: -3.539789856923141
Energy: -3.4426206313212258
Energy: -2.0693697881102935
Energy: -3.476987344456
Energy: -3.2129685889822297
Energy: -2.2726143475437053
Energy: -3.553850543722181
Energy: -3.854069681569827
Energy: -3.3104411416362582
Energy: -2.993317324729166
Energy: -2.5905798244721665
Energy: -1.330467596043503
Energy: -3.434437736768839
Energy: -2.69168675152957

minimum gb energy = -4.267995813596905 eV
minimum distance =  2.30374097862112 Angstroms
sigma value = 27


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

Energy: 0.16326779354811077
Energy: -1.3635081360933443
Energy: -3.0262798273002858
Energy: -3.128847898576413
Energy: -1.683753181327457
Energy: -2.842561772491188
Energy: -1.6803608037931546
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Energy: -1.1738504149215008
Energy: -2.3524408894196616
Energy: -2.423096160692447
Energy: -1.1369822673040921
Energy: 0.8725149601418059
Energy: -1.4826458313496014
Energy: -1.2226326377984178
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Energy: -2.2307856836709536
Energy: 0.8357453237608092
Energy: -3.0220588827902675
Energy: -2.4690711594074863
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Energy: -1.7302526279856048
Energy: -1.9794512044081063
Energy: -2.6021754704182634
Energy: -2.3753852241161786

minimum gb energy = -3.2988122169577307 eV
minimum distance =  2.29364737223011 Angstroms
sigma value = 19


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

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Energy: -0.7680455705450002
Energy: -0.699252607380177
Energy: -0.5543496149047915
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Energy: -1.7611527200533084
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Energy: -0.7535691170282838
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Energy: -0.930760629536614
Energy: -1.5303062295582057
Energy: -0.5373526848532741
Energy: -2.0939977424635496

minimum gb energy = -2.4049075605671058 eV
minimum distance =  2.28213485844125 Angstroms
sigma value = 101


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

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Energy: -0.6400007741236144
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Energy: -1.0801441457527667
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Energy: -1.8763115315684926
Energy: -0.3890672888808555
Energy: -0.7749000991948835
Energy: -0.7732898900266028
Energy: -2.0884266751998806
Energy: -1.6145515304294205
Energy: -0.9277712202400302
Energy: -0.9993344292840295
Energy: -2.0538423651081805
Energy: -3.100108320048584
Energy: -0.8047821553325541
Energy: -1.9350287162785023
Energy: -2.761463273368807
Energy: -0.7310606774598004
Energy: -1.6403735254318481
Energy: -2.310330407693365
Energy: -2.4292169240723505
Energy: -0.755947477775011
Energy: -1.2272793043576087

minimum gb energy = -3.100108320048584 eV
minimum distance =  2.33469099735114 Angstroms
sigma value = 33


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

Energy: 0.01818444455312687
Energy: -2.2117064458713123
Energy: -0.07466587670474795
Energy: 0.018255056865401874
Energy: -2.1403832314730846
Energy: -0.04230379323110795
Energy: 0.37437502113292775
Energy: -3.1935647716724707
Energy: -3.2588652443310786
Energy: -3.2607822333603793
Energy: -3.13258385483745
Energy: -3.2506859935526253
Energy: 1.305551408247889
Energy: -2.3540632558597148
Energy: -2.408352377289185
Energy: -2.303815253409531
Energy: -2.3082815761601
Energy: -2.3365227085181615
Energy: 0.018781876315630858
Energy: -3.154813287741575
Energy: -3.2619140331147434
Energy: -3.2521842187717485
Energy: -3.2042355324719822
Energy: -3.270422759492394

minimum gb energy = -3.270422759492394 eV
minimum distance =  2.44060246471507 Angstroms
sigma value = 1