element(s):
['Ca']
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:
['5.5236']
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 =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:49:14       -7.350354        0.1591
BFGS:    1 16:49:14       -7.351407        0.1499
BFGS:    2 16:49:14       -7.359975        0.0078
BFGS:    3 16:49:14       -7.360000        0.0004
BFGS:    4 16:49:14       -7.360000        0.0000
BFGS:    5 16:49:14       -7.360000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.598888751228422e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.45221538e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.580486701652788, 3.328106381945593e-33, 1.2894175005562753e-32], [-2.237954356597554e-32, 5.580486701652788, 1.0897720368896297e-17], [1.097225543690016e-32, 1.0897720368896296e-17, 5.580486701652788]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.59888875e-12 -4.59888875e-12 -4.59888875e-12 -1.00160747e-27
 -3.86523896e-36 -1.28984776e-51]
energy per atom =  -1.8400000000152927
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0