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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 15:12:41      -13.427419         0.049094
BFGS:    1 15:12:41      -13.427517         0.044709
BFGS:    2 15:12:41      -13.428000         0.000433
BFGS:    3 15:12:41      -13.428000         0.000004
BFGS:    4 15:12:41      -13.428000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.620878785634724e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.76281531e-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([[4.046999569109627, 1.633919128079109e-32, -1.7174269411312065e-33], [1.574015368964704e-32, 4.046999569109627, -1.5689684385000755e-20], [2.0442220026977588e-34, -1.568968438500019e-20, 4.046999569109627]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.62087879e-11 -2.62087879e-11 -2.62087879e-11  4.30908123e-28
  1.70679927e-60  9.53111648e-60]
energy per atom =  -3.3569999984214585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0