element(s):
['Al', 'U']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8498']
model name:
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'U']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.8498, 0, 0], [0, 7.8498, 0], [0, 0, 7.8498]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:47:25     -104.507750         1.382708
BFGS:    1 15:47:25     -104.588557         1.344499
BFGS:    2 15:47:25     -104.782879         1.246031
BFGS:    3 15:47:25     -104.962240         1.145020
BFGS:    4 15:47:26     -105.126256         1.041429
BFGS:    5 15:47:26     -105.274537         0.935218
BFGS:    6 15:47:26     -105.406688         0.826348
BFGS:    7 15:47:26     -105.522307         0.714779
BFGS:    8 15:47:27     -105.620985         0.600472
BFGS:    9 15:47:27     -105.702309         0.483386
BFGS:   10 15:47:27     -105.765628         0.336575
BFGS:   11 15:47:27     -105.794815         0.079232
BFGS:   12 15:47:28     -105.797229         0.026838
BFGS:   13 15:47:28     -105.797582         0.003332
BFGS:   14 15:47:28     -105.797587         0.000159
BFGS:   15 15:47:29     -105.797587         0.000001
BFGS:   16 15:47:29     -105.797587         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.521660831936333e-30 eV/Angstrom
Maximum stress component: 1.5269594852737803e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'U', 'U', 'U', 'U', 'U', 'U', 'U', 'U']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.41433288e-17 5.65733152e-17]
 [5.65733152e-17 1.41433288e-17 5.00000000e-01]
 [5.65733152e-17 5.00000000e-01 5.65733152e-17]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[7.671803681222661, 5.4601368685657475e-33, 2.4060318709284583e-34], [-7.577319537801259e-33, 7.671803681222661, -1.452943556752513e-17], [-5.122096143185893e-33, -1.4529435567525128e-17, 7.671803681222661]])
forces =  [[ 3.78249125e-31  5.67373687e-31  7.56498250e-31]
 [-1.90700600e-30  5.04332166e-31  1.89124562e-31]
 [ 4.10462944e-64 -7.56498250e-31  5.04332166e-31]
 [-1.13474737e-30 -2.39557779e-30 -1.51299650e-30]
 [ 1.26083042e-30  7.56498250e-31 -1.26083042e-30]
 [-8.82581291e-31 -5.04332166e-31 -1.63907954e-30]
 [ 8.82581291e-31  2.26949475e-30  1.26083042e-31]
 [ 3.78249125e-31  5.04332166e-31 -5.04332166e-31]
 [ 1.47950569e-30 -3.78249125e-31  2.52166083e-31]
 [-1.26083042e-30 -2.20645323e-31 -1.95428714e-30]
 [ 3.78249125e-31  2.52166083e-31  6.30415208e-31]
 [ 2.52166083e-31 -6.30415208e-31  1.26083042e-30]
 [ 7.56498250e-31  4.72811406e-31 -3.15207604e-31]
 [-2.52166083e-30 -6.30415208e-31 -2.52166083e-31]
 [-1.26083042e-31 -1.26083042e-31 -6.61935968e-31]
 [ 3.78249125e-31  6.30415208e-31  6.30415208e-31]
 [ 1.25660703e-63 -4.41290646e-31 -1.22930966e-30]
 [ 1.63907954e-30  1.73364182e-30 -9.45622812e-31]
 [ 1.26083042e-31  8.90461481e-31 -1.33963232e-30]
 [-1.89124562e-31 -7.56498250e-31 -9.45622812e-31]
 [-1.13474737e-30  1.51299650e-30 -6.30415208e-32]
 [-4.41290646e-31  8.82581291e-31  1.00866433e-30]
 [-1.13474737e-30 -8.82581291e-31  1.26083042e-31]
 [-7.56498250e-31 -6.93456729e-31 -1.26083042e-31]]
stress =  [ 1.52695949e-11  1.52695949e-11  1.52695949e-11 -8.46241772e-28
 -6.98078469e-35 -3.06982679e-50]
energy per atom =  -4.408232807874319
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0