element(s):
['Mo']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.028']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mo__MO_230319944007_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:40      -26.507692         0.846575
BFGS:    1 15:24:40      -26.536335         0.732750
BFGS:    2 15:24:40      -26.612076         0.280186
BFGS:    3 15:24:40      -26.624250         0.025643
BFGS:    4 15:24:40      -26.624343         0.001751
BFGS:    5 15:24:40      -26.624343         0.000009
BFGS:    6 15:24:40      -26.624343         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0775502761044786e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.119254929150819, -5.982938538529566e-32, -2.3197175531994346e-33], [-3.3984483404850544e-32, 4.119254929150819, -5.872978580031466e-18], [4.0400197567601176e-33, -5.872978580031472e-18, 4.119254929150819]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.07755028e-10  2.07755028e-10  2.07755028e-10 -7.70627895e-28
 -2.90959470e-37  3.63553341e-54]
energy per atom =  -6.656085735930496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0