element(s):
['Mg']
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:
['3.5733']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:38:05        1.382400        10.069277
BFGS:    1 19:38:06        0.042568         7.868317
BFGS:    2 19:38:06       -0.998126         6.068410
BFGS:    3 19:38:06       -1.794589         4.601543
BFGS:    4 19:38:06       -2.392377         3.410750
BFGS:    5 19:38:06       -2.829222         2.448383
BFGS:    6 19:38:06       -3.136312         1.674629
BFGS:    7 19:38:06       -3.339372         1.056273
BFGS:    8 19:38:06       -3.459572         0.565639
BFGS:    9 19:38:06       -3.514292         0.179705
BFGS:   10 19:38:06       -3.521521         0.030234
BFGS:   11 19:38:06       -3.521748         0.002098
BFGS:   12 19:38:06       -3.521750         0.000027
BFGS:   13 19:38:06       -3.521750         0.000000
BFGS:   14 19:38:06       -3.521750         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.469868342515778e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.427938423398415, -2.589861544631485e-32, 6.554943257648551e-33], [-1.599206813172623e-32, 4.427938423398415, 7.571916346856506e-17], [-7.119148255155414e-33, 7.571916346856505e-17, 4.427938423398415]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.46986834e-15 -8.46986834e-15 -8.46986834e-15  2.54996509e-33
 -8.18570509e-36 -1.52104807e-52]
energy per atom =  -1.7608748056606585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0