Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589553117748
cohesive_energy=6.81053564033844
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 3.649758372252e-19, 4.3015879140285597e-19, 4.86307071541386e-19, 5.35364117897832e-19, 6.2210115433268995e-19, 7.810835395478759e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.1020652085800699e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-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: 0.02123187341610607
Energy: -293.8012504517027
Energy: -96.6165839496352
Energy: 0.021734932594164477
Energy: 0.02174912656148324
Energy: -294.38987073490017
Energy: 0.02159325624586992
Energy: -295.39659197397714
Energy: 0.36138632672693133
Energy: 0.24492606212341703
Energy: -295.8160390064842
Energy: -295.6325096272854
Energy: 0.36117204446675066
Energy: 0.24519657377381168
Energy: 0.24511576214409106
Energy: 0.36128841973738596
Energy: 0.245703722175234
Energy: 0.2452084554389868
Energy: 0.6760666045063137
Energy: 0.36116513351928853
Energy: 0.24522766224465295
Energy: 0.24583737017953228
Energy: 0.361732047119009
Energy: 0.3611202329047864
Energy: 0.2453520529837655
Energy: 0.36133644205282694
Energy: 0.36123123108639715
Energy: 1.9627566025430376
Energy: 0.24537237040018428
Energy: 0.36128809756013913
Energy: 0.2455064202586992
Energy: 0.24554493195403326
Energy: 0.24491397241253893
Energy: 0.36114498681120855
Energy: 0.24505721688198706
Energy: 0.022890693894059292
Energy: -295.34857695416684
Energy: 0.2450192183221442
Energy: 0.021899724435466714
Energy: 0.021995810545203096
Energy: 0.36107825168526414
Energy: -295.9058964841004

minimum gb energy = -295.9058964841004 eV
minimum distance =  0.00568838447202445 Angstroms
sigma value = 5


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

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Energy: -29.41718159601519
Energy: -31.63170610618012
Energy: -30.97557042459363
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Energy: -37.08743433782033
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Energy: 1.917869788650221
Energy: 2.0897816289736495
Energy: 2.0589137959391186
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Energy: 1.9784591480776095
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Energy: 1.9735918410657067
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Energy: 1.9526723028926174
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Energy: 1.9732377250671116
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Energy: -31.55905505410927
Energy: -31.279166317318968
Energy: -32.07341132225917
Energy: 2.183759926143687

minimum gb energy = -69.46194706132073 eV
minimum distance =  2.41976931081046 Angstroms
sigma value = 401


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

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Energy: -16.146461901694686
Energy: 2.8200793915040436
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Energy: 1.9966212227214146
Energy: 1.936490258942337
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Energy: 2.014347120607756
Energy: 1.889656537502775
Energy: -79.30173709537517
Energy: -80.23916751167626
Energy: -17.59232795437214
Energy: -23.121250703324893
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Energy: 2.014989184132962
Energy: 1.9281129200262601
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Energy: 2.0426797151669605
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Energy: 2.195271308220748
Energy: 1.7976633194425278
Energy: 1.820679019951397
Energy: 1.855981663659995
Energy: 2.028572878376289

minimum gb energy = -81.88134199373563 eV
minimum distance =  2.30927281218176 Angstroms
sigma value = 311


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

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Energy: -41.87557644979519
Energy: -43.54120771147994
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Energy: 2.2745353793645844
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Energy: 2.0959544464893596
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Energy: 2.1143770438479876
Energy: 2.0174565841626504
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Energy: 1.9464802850178742
Energy: 1.9951054064468425
Energy: 1.8635764784928501
Energy: 1.9826177714184818
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Energy: 2.0558089010291076
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Energy: 2.4226659432335356
Energy: 2.373128560368002
Energy: -43.42516879198001
Energy: -91.6343699620099
Energy: -91.38348954864519
Energy: -49.91473624110392
Energy: -20.143284400501226
Energy: 2.0863840701854897
Energy: 2.083006597016404
Energy: -20.23731531001967
Energy: 2.326984907964193
Energy: 2.3229605984421844
Energy: 2.300283663321012
Energy: 2.240374826760179
Energy: 2.0017582781797323
Energy: 2.161185637817314
Energy: 2.053204752474704
Energy: 2.2026551012239803
Energy: 2.149074245550955
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Energy: 2.0651532282755745
Energy: 2.2070431415907343
Energy: 2.1882180469174797
Energy: 2.072315180020178
Energy: 2.047687518924793

minimum gb energy = -92.92504639893225 eV
minimum distance =  2.26671893767056 Angstroms
sigma value = 39


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

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Energy: -49.85851676717071
Energy: -50.13031364980187
Energy: 2.4691081049863697
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Energy: 2.004042494589085
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Energy: -109.8425925574641
Energy: -90.37752944167927
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Energy: 2.045621692070757
Energy: 2.380350374729594
Energy: -109.27469340059565
Energy: 2.4117686390172786
Energy: 1.9598079851440438
Energy: -109.30121201828621
Energy: 2.464147605966474
Energy: 1.9134181929500638
Energy: 1.9201260999568024
Energy: 2.0578251189488515
Energy: 1.90999594784125
Energy: 1.9250991732001446
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Energy: 2.177721545387691
Energy: 2.371797125091994
Energy: -37.58323190486681
Energy: -79.84135499573058
Energy: 2.2615491214975125
Energy: 1.984424974212617

minimum gb energy = -109.8425925574641 eV
minimum distance =  2.40641834420439 Angstroms
sigma value = 21


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

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Energy: -61.937047592609474
Energy: -63.72526551241924
Energy: -64.20248153668688
Energy: 2.2890784722297264
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Energy: 1.821960825098241
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Energy: 1.8391933666075764
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Energy: 1.9586189939750298
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Energy: -66.01856640503458
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Energy: 1.9296277492293223
Energy: -65.96680946218814
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minimum gb energy = -66.01856640503458 eV
minimum distance =  0.00569166986349852 Angstroms
sigma value = 113


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

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minimum gb energy = -84.38738058238928 eV
minimum distance =  2.42845154130843 Angstroms
sigma value = 365


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

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minimum gb energy = -340.8348205941885 eV
minimum distance =  0.00569163294738483 Angstroms
sigma value = 23