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_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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 01:26:03      -13.466126         0.206406
BFGS:    1 01:26:03      -13.467879         0.189781
BFGS:    2 01:26:04      -13.476193         0.040663
BFGS:    3 01:26:04      -13.476481         0.007615
BFGS:    4 01:26:04      -13.476493         0.000283
BFGS:    5 01:26:05      -13.476493         0.000002
BFGS:    6 01:26:05      -13.476493         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.22461914927556e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.36151472e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.89236456e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.78472911e-34]]
cellpar =  Cell([[4.070949095718554, -7.837498310101647e-33, -4.549096394853224e-33], [-4.3363723045068336e-33, 4.070949095718554, -9.228837023615765e-18], [7.738549991769317e-33, -9.228837023615775e-18, 4.070949095718554]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.22461915e-11 -3.22461915e-11 -3.22461915e-11  3.48427514e-27
 -2.90528773e-35  2.35643294e-51]
energy per atom =  -3.3691231416851117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0