Model name: model_name=EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147414512932301
cohesive_energy=6.897751515014914
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.03216188 eV

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

Energy: 0.017601627562006103
Energy: 0.018302659466188503
Energy: 0.018302659466188503
Energy: 0.018302659466188503
Energy: 0.018302659466188503
Energy: 0.01777166908803925
Energy: 1.5872002145172788
Energy: 0.01777166908803925
Energy: 0.01777166908803925
Energy: 1.5872002145172788
Energy: 1.587261965517494
Energy: 1.5872002145181061
Energy: 0.018302659466188503
Energy: 0.01777166908803925
Energy: 1.5872002145181061
Energy: 0.01777166908803925

minimum gb energy = 0.017601627562006103 eV
minimum distance =  2.72308680053788 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 2.151349033747651
Energy: 2.347284578923422
Energy: 2.347284578923422
Energy: 2.347284578923422
Energy: 2.2639286025179297
Energy: 1.8849460432271192
Energy: 1.7292416309531755
Energy: 1.884946043226116
Energy: 2.3798495836175086
Energy: 1.6773227185977648
Energy: 1.6243130176753933
Energy: 1.6773227185957578
Energy: 2.028390279543403
Energy: 1.7853445558789185
Energy: 1.677361356128226
Energy: 1.7853445558789185
Energy: 2.0306969295350012
Energy: 1.9298853755258913
Energy: 2.0935009299666265
Energy: 1.9298853755258913
Energy: 2.2444250146670437
Energy: 1.6916338210982098
Energy: 1.5980000162346524
Energy: 1.6916338210992132
Energy: 1.816825959222618
Energy: 1.6917978014515707
Energy: 1.59733360975049
Energy: 1.691797801452574
Energy: 1.6012792082280807
Energy: 1.8093371199271187
Energy: 2.095302393412762
Energy: 1.8093371199280768
Energy: 1.8165556331227957
Energy: 1.5942609886609738
Energy: 2.0175934937420896
Energy: 1.5942609886609738
Energy: 2.330333953840712
Energy: 2.045563001883287
Energy: 1.8277605783035202
Energy: 2.0455630018822832
Energy: 1.6235749762457312
Energy: 1.9665582509765271
Energy: 2.023134655036
Energy: 1.9665582509745658
Energy: 1.6228219733698752
Energy: 1.623555775031352
Energy: 2.8140019461167727
Energy: 1.6235557750323555
Energy: 1.8629095832569658
Energy: 1.9815695302047196
Energy: 2.0700384652251484
Energy: 1.9815695302027125
Energy: 1.6730589983140332
Energy: 1.9823479026586512
Energy: 2.094282144217705
Energy: 1.9823479026546371
Energy: 1.6719689786136438
Energy: 1.8786413763802678
Energy: 2.2394332580423515
Energy: 1.8786413763802678
Energy: 1.6719348992732783
Energy: 1.878275341179571
Energy: 2.2392102626290664
Energy: 1.8782753411765605
Energy: 1.6736362809440384
Energy: 1.7818847543712155
Energy: 2.107489759271416
Energy: 1.7818847543752294
Energy: 1.8627672405599285
Energy: 1.969222695638065
Energy: 2.046779154725176
Energy: 1.969222695636058
Energy: 1.6068351388872633
Energy: 1.6233656611723002
Energy: 2.4343183629060383
Energy: 1.6233656611723002
Energy: 1.6238152878127217
Energy: 1.9699538528258265
Energy: 1.8204929765295845
Energy: 1.9699538528238194
Energy: 2.3299557867066594
Energy: 1.8574296253237477
Energy: 1.8314843593349146
Energy: 1.857429625322744
Energy: 1.8160715035988315
Energy: 1.6941134873006782
Energy: 2.017673157028967
Energy: 1.6941134873026853
Energy: 1.8402223229306813
Energy: 1.7730437898869613
Energy: 1.8323070663751297
Energy: 1.7730437898869613
Energy: 2.0416507565967623
Energy: 1.6912880567450663
Energy: 1.5972475188169881
Energy: 1.691288056744063
Energy: 2.2443809469445846
Energy: 1.691542697185249
Energy: 1.5986422918758267
Energy: 1.6915426971862524
Energy: 2.06915346111922
Energy: 1.9579333994591608
Energy: 2.0939880245116833
Energy: 1.9579333994601642
Energy: 2.023265658838539
Energy: 1.7881519047503747
Energy: 1.646502300526984
Energy: 1.7881519047463605
Energy: 2.5332543326885872
Energy: 1.677186384461596
Energy: 1.6252754643864784
Energy: 1.6771863844646067
Energy: 2.2619729428381996
Energy: 1.8847393980403122
Energy: 1.7295166316886548
Energy: 1.8847393980403122
Energy: 2.151235189076456
Energy: 1.9622812427258234
Energy: 1.9622812427258234
Energy: 1.9622812427278302
Energy: 2.261511807416918
Energy: 1.8849224531341477
Energy: 1.646665652226214
Energy: 1.8849224531361548
Energy: 2.244377984564475
Energy: 1.710729246833371
Energy: 1.624949947611372
Energy: 1.7107292468373851
Energy: 2.0291451968919914
Energy: 1.8602042485439019
Energy: 1.6780611501925562
Energy: 1.8602042485428985

minimum gb energy = 1.5942609886609738 eV
minimum distance =  2.33027123883115 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 2.2435068967174345
Energy: 2.1307258349864835