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_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
==== 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 16:25:56      -26.376809         0.093181
BFGS:    1 16:25:56      -26.377165         0.084989
BFGS:    2 16:25:56      -26.378782         0.009074
BFGS:    3 16:25:56      -26.378799         0.000628
BFGS:    4 16:25:56      -26.378799         0.000003
BFGS:    5 16:25:56      -26.378799         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.296464500750289e-11 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([[4.014007315240975, -3.0707572915910014e-33, 3.172353084374608e-33], [-2.049202374969826e-33, 4.014007315240975, -3.246488201443694e-20], [3.100411670503921e-33, -3.246488201443583e-20, 4.014007315240975]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.29646450e-11 -7.29646450e-11 -7.29646450e-11 -2.38415730e-26
 -7.17191967e-35 -3.20206876e-51]
energy per atom =  -6.562537961400102
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0