element(s):
['Mo']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1827']
model name:
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:59:24      -13.590713         0.840587
BFGS:    1 21:59:24      -13.613341         0.410424
BFGS:    2 21:59:24      -13.619966         0.029943
BFGS:    3 21:59:24      -13.620000         0.000958
BFGS:    4 21:59:24      -13.620000         0.000002
BFGS:    5 21:59:24      -13.620000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.671672976181517e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.146558967552503, -2.017537401636076e-36, -8.227515672179993e-33], [-1.6751288252602527e-36, 3.1465589675525028, 7.406888005100588e-20], [-1.894396248048262e-33, 7.406888005101177e-20, 3.146558967552503]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.67167298e-12 -9.67167298e-12 -9.67167298e-12  2.15030237e-27
  3.73482248e-33 -8.30133156e-49]
energy per atom =  -6.810000000359757
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0