element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6765']
model name:
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6765, 0, 0], [0, 3.6765, 0], [0, 0, 3.6765]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:18:29      -14.123053         1.145491
BFGS:    1 12:18:29      -14.179899         1.170094
BFGS:    2 12:18:29      -14.358786         1.193610
BFGS:    3 12:18:30      -14.524930         0.954697
BFGS:    4 12:18:30      -14.621794         0.266482
BFGS:    5 12:18:30      -14.627293         0.079152
BFGS:    6 12:18:30      -14.627814         0.000766
BFGS:    7 12:18:30      -14.627814         0.000000
BFGS:    8 12:18:30      -14.627814         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.423869887377869e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.38979402e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.19489701e-34]]
cellpar =  Cell([[3.5098320069266737, 1.0144858899428998e-32, 4.351687502832327e-33], [1.079760928748739e-32, 3.5098320069266737, -7.172730295436317e-18], [5.825228155507007e-33, -7.172730295436314e-18, 3.5098320069266737]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.42386989e-13  2.42386989e-13  2.42386989e-13 -5.88596108e-29
 -1.25071343e-34  2.77170536e-50]
energy per atom =  -3.6569335052837
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0