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 15:19:25      -26.376809         0.093181
BFGS:    1 15:19:25      -26.377165         0.084989
BFGS:    2 15:19:25      -26.378782         0.009074
BFGS:    3 15:19:25      -26.378799         0.000628
BFGS:    4 15:19:25      -26.378799         0.000003
BFGS:    5 15:19:25      -26.378799         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.296464500750293e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.49691095e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.014007315240975, 3.0707311520153315e-32, 8.858244283122961e-33], [3.579128531053673e-32, 4.014007315240975, -4.645154295354182e-20], [-4.9591027507618665e-34, -4.645154295354452e-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 -1.81469828e-27
 -7.96879964e-36 -2.81100759e-52]
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