element(s):
['Ca']
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:
['4.3822']
model name:
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.3822, 0, 0], [0, 4.3822, 0], [0, 0, 4.3822]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:57:37       -3.625419         0.104782
BFGS:    1 20:57:37       -3.625863         0.093232
BFGS:    2 20:57:38       -3.627597         0.003428
BFGS:    3 20:57:38       -3.627599         0.000118
BFGS:    4 20:57:38       -3.627599         0.000000
BFGS:    5 20:57:38       -3.627599         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7067963796397845e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.412999851746121, -1.6880480850629306e-32, 4.5521063925031424e-34], [-1.862512702578738e-33, 4.412999851746121, 2.0893902644192486e-19], [-1.061728090750345e-33, 2.0893902644202405e-19, 4.412999851746121]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.70679638e-13 -1.70679638e-13 -1.70679638e-13 -1.57962679e-31
 -2.43307466e-62  2.07939441e-63]
energy per atom =  -1.8137995811473662
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0