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_LeeBaskesKim_2001_Mo__MO_805823015127_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 17:05:36      -26.536835        0.6453
BFGS:    1 17:05:36      -26.552461        0.4839
BFGS:    2 17:05:36      -26.571682        0.0273
BFGS:    3 17:05:36      -26.571740        0.0011
BFGS:    4 17:05:36      -26.571740        0.0000
BFGS:    5 17:05:36      -26.571740        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1180609565730264e-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([[3.9923124263783776, -8.201745246433858e-33, -3.867298577658313e-36], [-8.245501719844805e-33, 3.9923124263783776, 3.303060903983709e-19], [7.15291413652957e-35, 3.3030609039837147e-19, 3.9923124263783776]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.11806096e-11 -1.11806096e-11 -1.11806096e-11  2.09326462e-30
 -6.43332099e-62  3.33083498e-60]
energy per atom =  -6.642934996254754
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0