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:
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000
==== 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 15:46:27     -104.507750         1.382708
BFGS:    1 15:46:27     -104.588557         1.344499
BFGS:    2 15:46:27     -104.782879         1.246031
BFGS:    3 15:46:28     -104.962240         1.145020
BFGS:    4 15:46:28     -105.126256         1.041429
BFGS:    5 15:46:28     -105.274537         0.935218
BFGS:    6 15:46:28     -105.406688         0.826348
BFGS:    7 15:46:28     -105.522307         0.714779
BFGS:    8 15:46:28     -105.620985         0.600472
BFGS:    9 15:46:29     -105.702309         0.483386
BFGS:   10 15:46:29     -105.765628         0.336575
BFGS:   11 15:46:29     -105.794815         0.079232
BFGS:   12 15:46:29     -105.797229         0.026838
BFGS:   13 15:46:30     -105.797582         0.003332
BFGS:   14 15:46:30     -105.797587         0.000159
BFGS:   15 15:46:30     -105.797587         0.000001
BFGS:   16 15:46:30     -105.797587         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.0874662337725547e-30 eV/Angstrom
Maximum stress component: 1.5270850194911743e-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([[7.67180368122274, -1.3143544602761083e-33, -2.120150283982025e-34], [-3.2865132745441634e-33, 7.67180368122274, -4.476084716559412e-18], [1.0926908099857455e-34, -4.476084716559409e-18, 7.67180368122274]])
forces =  [[ 1.62528921e-31  1.26083042e-31  9.45622812e-32]
 [ 4.67429462e-64 -1.08746623e-30  1.10322661e-31]
 [-4.72811406e-32  1.57603802e-32 -2.36405703e-31]
 [ 1.89124562e-31  3.58548650e-31  6.30415208e-32]
 [ 1.10322661e-31  6.22535018e-31  2.00944848e-31]
 [ 4.18735893e-65 -1.10322661e-31 -3.78249125e-31]
 [ 1.41843422e-31  9.45622812e-32 -2.28525513e-31]
 [ 2.44285893e-31  3.15207604e-31  2.28525513e-31]
 [ 1.88186450e-64 -4.39813110e-31 -1.57603802e-32]
 [ 4.90741051e-65 -1.26083042e-31 -3.46728364e-31]
 [-1.45783517e-31  4.57051026e-31  9.45622812e-32]
 [ 1.10339180e-65 -3.15207604e-32 -1.73364182e-31]
 [ 2.83686844e-31  2.52166083e-31 -3.15207604e-32]
 [-8.56970673e-32  6.58980897e-31 -7.88019010e-32]
 [-1.45783517e-31  1.57603802e-31  2.52166083e-31]
 [ 2.04884943e-31  2.12765133e-31 -1.26083042e-31]
 [-1.57603802e-31  1.57603802e-31 -4.72811406e-32]
 [-9.45622812e-32 -2.12765133e-31 -1.57603802e-31]
 [-2.87626939e-31 -1.53663707e-31 -1.41843422e-31]
 [-9.45622812e-32  6.30415208e-32 -3.15207604e-32]
 [ 1.26083042e-31  2.52166083e-31 -9.45622812e-32]
 [-2.20645323e-31 -5.04332166e-31 -1.26083042e-31]
 [-6.30415208e-32  3.15207604e-31  6.30415208e-32]
 [-1.26083042e-31 -3.15207604e-32  1.26083042e-31]]
stress =  [ 1.52708502e-11  1.52708502e-11  1.52708502e-11 -1.28609444e-28
  5.14990317e-62  1.57063952e-60]
energy per atom =  -4.4082328078743185
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0