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:
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001
==== 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 15:19:39      -26.505682         0.913248
BFGS:    1 15:19:39      -26.537168         0.694264
BFGS:    2 15:19:39      -26.577522         0.059244
BFGS:    3 15:19:39      -26.577794         0.003387
BFGS:    4 15:19:39      -26.577795         0.000015
BFGS:    5 15:19:39      -26.577795         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4653637176765144e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.30190436e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.78399509e-37]]
cellpar =  Cell([[3.9763074004346657, 1.2440271538428843e-33, -4.155925502333763e-33], [2.3009248988107745e-33, 3.9763074004346657, -1.9506601656614163e-20], [8.432989259316975e-34, -1.95066016566211e-20, 3.9763074004346657]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.46536372e-10 -2.46536372e-10 -2.46536372e-10  5.58800316e-26
  6.49649802e-35 -1.65580796e-50]
energy per atom =  -6.644448635877991
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0