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 12:18:42      -14.896816         0.402385
BFGS:    1 12:18:42      -14.903350         0.355320
BFGS:    2 12:18:42      -14.926024         0.010482
BFGS:    3 12:18:42      -14.926043         0.000382
BFGS:    4 12:18:42      -14.926043         0.000001
BFGS:    5 12:18:42      -14.926043         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6259174893798186e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.76732655e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6324314115563854, 4.685099619178676e-35, -1.4145063590419692e-32], [-1.5370104084674204e-32, 3.6324314115563854, -8.996297564410201e-18], [-8.890065885981649e-33, -8.996297564410198e-18, 3.6324314115563854]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.62591749e-12 -3.62591749e-12 -3.62591749e-12  3.37636648e-28
 -3.89237230e-35  1.85447362e-51]
energy per atom =  -3.7315107218156895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0