Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.01961316452929943
Energy: -510.8267380128723
Energy: 0.2697335220314076
Energy: -511.7328267916718
Energy: -512.3015576107543
Energy: 0.2694503829612771
Energy: -512.0286907332572
Energy: -512.1636896898885
Energy: 0.269977374022129
Energy: 0.020634952594542587
Energy: -510.43153104813763
Energy: -512.9500085312196
Energy: -512.3282547627085
Energy: 0.019995899069389006
Energy: 0.02015836796141741
Energy: 0.26955863812495484
Energy: -512.7478522996165
Energy: -512.050232769712
Energy: 0.26999203206378525
Energy: -512.390235374539
Energy: -511.7125420436465
Energy: 0.27046344414767803
Energy: -512.5589233288074
Energy: 0.020761359769824208
Energy: -511.985570524176
Energy: 0.11241491540916204
Energy: 0.02002371594760993
Energy: 0.020056337987625638
Energy: 0.11275602884349731
Energy: 0.2695641219451922
Energy: 0.02009292355785457
Energy: -511.3441482518221
Energy: 0.26964423304676405
Energy: 0.26976747664749035
Energy: 0.2697718631704612
Energy: 0.11283616408700882
Energy: 0.02005319561430081
Energy: 0.019628599868405854
Energy: -512.8176687876277
Energy: 0.020167383413033313
Energy: 0.020254419840642954
Energy: -511.31037172919275
Energy: -511.9435577372021
Energy: 0.019828923671185706
Energy: 0.019997575548935435
Energy: 0.26959546203871004
Energy: 0.27001062123594965
Energy: 0.2698897829566256
Energy: 0.2699944871452101
Energy: 0.020150037900346154
Energy: -511.9843836341268
Energy: 0.269626150716745
Energy: -512.2066754724628
Energy: 0.020332868691568976
Energy: 0.020442357563525963
Energy: 0.26992788158701925
Energy: 0.019699592752422765
Energy: 0.020230715404729697
Energy: 0.11263154357041993
Energy: 0.26981688876321686
Energy: 0.021188049137002042
Energy: -512.0662188813627
Energy: 0.26952463778615077
Energy: -512.1601052142686
Energy: 0.26950272067986536
Energy: 0.11305870018642968
Energy: 0.02028346214080183
Energy: 0.020085886424293205
Energy: -512.5614524265989
Energy: -512.6098992148885

minimum gb energy = -512.9500085312196 eV
minimum distance =  0.00568938447794968 Angstroms
sigma value = 3


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

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Energy: -35.55390852053358
Energy: 1.9500064654233138
Energy: -38.48379515932211
Energy: 1.8956024145276427
Energy: 1.9441687521026898
Energy: 1.9235075233705181
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Energy: 1.994877183008937
Energy: 1.8830300469956398
Energy: 2.4708690541655787
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Energy: 2.0392799955980117
Energy: 1.9283612453209193
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Energy: 1.908645764945145
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Energy: 2.0106777980117565
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Energy: 1.9601697161355305
Energy: -38.45327203685233
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Energy: 2.2245900252498556
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Energy: 2.040628789045239
Energy: -36.956666456537576
Energy: 2.1119811384001523
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Energy: 2.250341577636621
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Energy: 2.161173554711131
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Energy: 1.9200893030100639
Energy: 2.005226217908903
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Energy: 1.9599210207515818
Energy: 1.955355680990007
Energy: 2.370711799524602
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Energy: 2.507177889959412
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Energy: 1.9563264448292879
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Energy: 1.7499601700263023
Energy: 1.9044445836907238
Energy: 2.0143482991440265
Energy: 1.8302017770506303
Energy: 1.9528871974319706
Energy: 1.7332449748695784
Energy: 1.8970973851455202
Energy: 1.9560999580521092
Energy: 1.7385197445506113
Energy: 1.742651780911106
Energy: 2.0377533117947877
Energy: 1.9981697213205647
Energy: 2.0365245764619333
Energy: 1.7620052818216465
Energy: 1.7994581805398184
Energy: 1.9998248215884369
Energy: -39.016243891679096
Energy: 1.7397388445341233
Energy: 1.9655212758101648
Energy: 1.948807726067741
Energy: 1.9599351068801834
Energy: 1.890793789695869
Energy: -39.30845739237288
Energy: -39.12336355479424
Energy: 1.8353638834877117
Energy: 2.1573596804131823
Energy: 2.3065079407218056
Energy: 2.0934557236853357
Energy: 2.402232996318167
Energy: -38.70543730818174
Energy: 1.8685399626357966
Energy: 1.9293230534029888
Energy: 1.9131426118748092
Energy: 1.9785418277045965
Energy: 1.9998362593786694
Energy: -38.699673776171984
Energy: 2.102350324412147
Energy: 2.2270476456154746
Energy: 2.2755104618962942
Energy: 2.013565472852795
Energy: 2.1440209824475454
Energy: 2.0008145892393254
Energy: 1.9044879944285522
Energy: 1.9166538320621445
Energy: 1.838025723064325
Energy: 1.8455151110237547
Energy: 2.141205953147637
Energy: 1.9618844374603417
Energy: 1.881487454346668
Energy: -38.582055527532304
Energy: 2.2869616972616615
Energy: 2.3035038409165747
Energy: 2.3372378015953323
Energy: 2.247271875730756
Energy: 1.9586454950008712
Energy: 1.8489993729873357
Energy: 2.5135066653109432
Energy: -35.75021673670995
Energy: 1.9306606702815523
Energy: 2.1534343410284436
Energy: 2.155834839168513
Energy: 1.971072746717218
Energy: -36.59548013089108
Energy: 2.3992672651634814
Energy: 2.522914578815658
Energy: 2.3962996125561205

minimum gb energy = -81.2632222565171 eV
minimum distance =  2.29559734022059 Angstroms
sigma value = 75


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

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Energy: -3.5906734028280822
Energy: 2.093585634135381
Energy: 2.257524127040918
Energy: 2.0033840922930333
Energy: 1.8694884042303408
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Energy: 1.9350937704957232
Energy: 2.2193971059109416
Energy: 2.3728760889357376
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minimum gb energy = -120.36114812571077 eV
minimum distance =  2.14296130351466 Angstroms
sigma value = 105


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

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Energy: 2.062534221235237
Energy: 2.495576017577551
Energy: 2.4668696149007228
Energy: -37.41779784547092

minimum gb energy = -120.40883977812126 eV
minimum distance =  0.00568855350956093 Angstroms
sigma value = 165


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

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Energy: 1.8288017867701267
Energy: 2.356294552922464
Energy: 2.041269448773285
Energy: 2.1417008089273333
Energy: 2.228924854601063

minimum gb energy = -157.04245439156537 eV
minimum distance =  2.31086173883298 Angstroms
sigma value = 41


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

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Energy: 1.6502491937188428
Energy: 1.958849966672718
Energy: 1.694914152701885
Energy: 2.437550010072565
Energy: 2.3947248224404665

minimum gb energy = -183.61953874383636 eV
minimum distance =  2.42984533637772 Angstroms
sigma value = 185


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

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Energy: 1.951249835651065
Energy: 2.030927185013043
Energy: 2.421034469273933
Energy: 2.490497329542938

minimum gb energy = -149.71291279021577 eV
minimum distance =  2.30840836894967 Angstroms
sigma value = 33


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

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Energy: 1.8561946889267953
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minimum distance =  0.00568885460184642 Angstroms
sigma value = 219


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

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Energy: 1.778927246837138

minimum gb energy = -263.8733334158968 eV
minimum distance =  2.33075779973833 Angstroms
sigma value = 15


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

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minimum distance =  2.28035922081275 Angstroms
sigma value = 293


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

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minimum gb energy = -57.39555200418701 eV
minimum distance =  0.00568775892104551 Angstroms
sigma value = 293


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

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minimum gb energy = -324.6235728616225 eV
minimum distance =  0.00568976362028007 Angstroms
sigma value = 15


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

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Energy: -21.921287697510046
Energy: -21.8159469338868
Energy: 1.9875885122923966
Energy: -44.900058118883386

minimum gb energy = -46.54556287191503 eV
minimum distance =  0.00568705788885121 Angstroms
sigma value = 437


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

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Energy: 2.002499956636559
Energy: -87.79939720173364
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Energy: 2.034314671809386
Energy: 2.0458264226238065
Energy: 2.136789205775891
Energy: 1.9010013159090366
Energy: 2.1334767053181265
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Energy: 2.1940185990238605
Energy: 1.8866297824308622
Energy: 2.0482246545123464
Energy: 2.1603480727654576
Energy: 1.9735656361392142
Energy: 2.0587714429921724
Energy: 2.1610658957831634
Energy: 2.1060565877986757
Energy: 2.013458970122421
Energy: -177.18150212787035
Energy: -39.72400476794241
Energy: 1.9985655900427666
Energy: 2.127461425113926
Energy: 2.3710304570597156
Energy: 2.4238688732916116
Energy: 2.198898954876082
Energy: 2.1522734033684836
Energy: 1.8118959688387397
Energy: 1.8178940353177744

minimum gb energy = -177.18150212787035 eV
minimum distance =  2.31281466801535 Angstroms
sigma value = 33