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 16:00:35        1.382400        10.069277
BFGS:    1 16:00:35        0.042568         7.868317
BFGS:    2 16:00:35       -0.998126         6.068410
BFGS:    3 16:00:35       -1.794589         4.601543
BFGS:    4 16:00:35       -2.392377         3.410750
BFGS:    5 16:00:35       -2.829222         2.448383
BFGS:    6 16:00:35       -3.136312         1.674629
BFGS:    7 16:00:35       -3.339372         1.056273
BFGS:    8 16:00:35       -3.459572         0.565639
BFGS:    9 16:00:35       -3.514292         0.179705
BFGS:   10 16:00:35       -3.521521         0.030234
BFGS:   11 16:00:35       -3.521748         0.002098
BFGS:   12 16:00:35       -3.521750         0.000027
BFGS:   13 16:00:35       -3.521750         0.000000
BFGS:   14 16:00:35       -3.521750         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.394738343629618e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.427938423398416, -2.052464937758783e-33, -3.579218406121826e-32], [3.8648116771601704e-33, 4.427938423398416, 1.2867345838641597e-17], [2.8443345930220008e-33, 1.2867345838641505e-17, 4.427938423398416]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.39473834e-15 -8.39473834e-15 -8.39473834e-15  7.63298843e-30
  1.30971281e-35 -6.04309842e-51]
energy per atom =  -1.760874805660658
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0