element(s):
['Mg']
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:
['4.2446']
model name:
MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:39       -5.594602         1.231066
BFGS:    1 15:17:39       -5.656578         1.119066
BFGS:    2 15:17:39       -5.801927         0.824691
BFGS:    3 15:17:39       -5.905637         0.563352
BFGS:    4 15:17:39       -5.972433         0.332032
BFGS:    5 15:17:39       -6.006608         0.127963
BFGS:    6 15:17:39       -6.013153         0.012760
BFGS:    7 15:17:39       -6.013222         0.000572
BFGS:    8 15:17:39       -6.013222         0.000003
BFGS:    9 15:17:39       -6.013222         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7288704558033886e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.26787442e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.512620937198512, -1.2103457140536481e-32, -7.1642264932573415e-34], [-6.85198103544702e-34, 4.512620937198512, 1.7673697215380746e-18], [1.3593554571811884e-33, 1.7673697215380716e-18, 4.512620937198512]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.72887046e-11 -2.72887046e-11 -2.72887046e-11 -5.95798472e-29
  7.88136664e-37 -5.47733699e-54]
energy per atom =  -1.5033055428278224
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0