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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 13:58:41      -69.863469       10.3090
BFGS:    1 13:58:41      -71.169912        6.9412
BFGS:    2 13:58:42      -71.888849        2.4319
BFGS:    3 13:58:42      -71.966975        0.5742
BFGS:    4 13:58:42      -71.971122        0.0346
BFGS:    5 13:58:42      -71.971137        0.0005
BFGS:    6 13:58:42      -71.971137        0.0000
BFGS:    7 13:58:42      -71.971137        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3667946726203227e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.67875589e-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([[3.5642636684982127, 6.406760989790917e-33, -1.030252015654671e-32], [-2.987147743359492e-33, 3.5642636684982127, -3.9842469519989745e-19], [-2.9154414392199305e-33, -3.9842469519989162e-19, 3.5642636684982127]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.36679467e-13  3.36679467e-13  3.36679467e-13  7.24023784e-29
 -2.58731642e-33 -4.34808884e-49]
energy per atom =  -17.992784337054562
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0