element(s):
['Al']
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:
['4.039']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:09:50      -13.439711         0.034565
BFGS:    1 10:09:50      -13.439760         0.031494
BFGS:    2 10:09:50      -13.440000         0.000233
BFGS:    3 10:09:50      -13.440000         0.000002
BFGS:    4 10:09:50      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.963312741064285e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.46634516e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.30014019e-38]]
cellpar =  Cell([[4.044650776616237, -3.809376277378568e-33, 1.7880664009809916e-34], [-1.9069007231823134e-42, 4.044650776616237, -4.220999150180683e-21], [8.833797646347402e-34, -4.220999150180937e-21, 4.044650776616237]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.96331274e-12 -4.96331274e-12 -4.96331274e-12 -5.49551370e-28
 -4.70910547e-35 -4.33432098e-51]
energy per atom =  -3.360000000060122
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0