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_486450342170_001
==== 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 16:14:41      -13.590713         0.840587
BFGS:    1 16:14:41      -13.613341         0.410424
BFGS:    2 16:14:41      -13.619966         0.029943
BFGS:    3 16:14:41      -13.620000         0.000958
BFGS:    4 16:14:41      -13.620000         0.000002
BFGS:    5 16:14:41      -13.620000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.675746971005862e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.146558966799433, -1.2215924164006145e-32, 2.097000680416634e-33], [-6.532350326301252e-33, 3.1465589667994327, -1.783807071490371e-19], [-3.94107206837339e-33, -1.7838070714903197e-19, 3.146558966799433]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.67574697e-12 -9.67574697e-12 -9.67574697e-12 -2.80593547e-28
  2.01006071e-34  7.66570732e-51]
energy per atom =  -6.81000000036903
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0