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 15:13:11       -7.350354         0.159131
BFGS:    1 15:13:11       -7.351407         0.149870
BFGS:    2 15:13:11       -7.359975         0.007805
BFGS:    3 15:13:11       -7.360000         0.000413
BFGS:    4 15:13:11       -7.360000         0.000001
BFGS:    5 15:13:11       -7.360000         0.000000
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]
 [4.90443076e-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, 2.619796974826703e-32, 1.2869064411732102e-32], [2.1795645230628928e-32, 5.580486701652788, 1.0897720368896297e-17], [1.096526489030571e-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  6.53606347e-28
 -2.06146078e-36  5.69682370e-52]
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