element(s):
['Al']
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:
['3.233']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:22:54       -6.483084         0.044368
BFGS:    1 20:22:54       -6.483162         0.036959
BFGS:    2 20:22:54       -6.483335         0.000385
BFGS:    3 20:22:54       -6.483336         0.000003
BFGS:    4 20:22:54       -6.483336         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.721346927781974e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2269166559111966, -8.902901598897032e-33, -4.5173415635722914e-33], [-8.286834832047291e-33, 3.2269166559111966, -3.6388498604644435e-21], [-2.3269924855804766e-33, -3.638849860466992e-21, 3.2269166559111966]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.72134693e-11  1.72134693e-11  1.72134693e-11  2.64342042e-27
  3.69909073e-35 -8.37770903e-52]
energy per atom =  -3.241667759020887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0