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:
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_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 13:58:46      -14.896816        0.4024
BFGS:    1 13:58:46      -14.903350        0.3553
BFGS:    2 13:58:46      -14.926024        0.0105
BFGS:    3 13:58:46      -14.926043        0.0004
BFGS:    4 13:58:46      -14.926043        0.0000
BFGS:    5 13:58:46      -14.926043        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.62701595670666e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6324314115563836, -5.0430984927721295e-33, -7.537871319887764e-33], [-1.1976303782609786e-32, 3.6324314115563836, -8.97999015351096e-18], [-6.747782121596684e-34, -8.979990153510969e-18, 3.6324314115563836]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.62701596e-12 -3.62701596e-12 -3.62701596e-12 -8.89679770e-29
  1.55694892e-34  9.15024821e-51]
energy per atom =  -3.7315107218156887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0