element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8417']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Cu']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8417, 0, 0], [0, 5.8417, 0], [0, 0, 5.8417]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:53:02      -54.388423        0.0814
BFGS:    1 13:53:02      -54.388704        0.0796
BFGS:    2 13:53:02      -54.394894        0.0025
BFGS:    3 13:53:03      -54.394900        0.0000
BFGS:    4 13:53:03      -54.394900        0.0000
BFGS:    5 13:53:03      -54.394900        0.0000
Minimization converged after 5 steps.
Maximum force component: 6.339423786391327e-31 eV/Angstrom
Maximum stress component: 1.1018645874931103e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.35031452e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.07561919e-39 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.07561919e-39]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 8.07561919e-39]
 [5.87578629e-50 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.822435768455303, 1.1996180937123333e-32, 1.2472942916938143e-32], [1.975842645177989e-32, 5.822435768455303, 6.04105412981563e-22], [4.464722690384107e-33, 6.041054129942644e-22, 5.822435768455303]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.16971189e-31 -2.09320597e-31 -1.02043791e-31]
 [-1.68204051e-31 -1.50449179e-31 -4.48544136e-33]
 [-1.36058388e-31 -2.39223539e-31  4.18641193e-32]
 [-3.94718840e-31 -1.48019565e-31 -2.21281774e-31]
 [-1.19611770e-32 -3.64815897e-31 -6.33942379e-31]
 [ 4.63495607e-32  4.87417961e-31  5.26291786e-31]
 [ 1.13631181e-31  4.29107223e-31  8.37282387e-32]
 [-1.24844784e-31 -3.10990601e-31  2.39223539e-32]]
stress =  [ 1.10186459e-14  1.10186459e-14  1.10186459e-14 -5.41346416e-31
 -1.51495525e-35  2.60925382e-51]
energy per atom =  -3.399681245684798
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0