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:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== 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 12:18:55      -14.163637         0.996058
BFGS:    1 12:18:55      -14.203028         0.850341
BFGS:    2 12:18:55      -14.294389         0.377781
BFGS:    3 12:18:56      -14.319163         0.041233
BFGS:    4 12:18:56      -14.319483         0.002362
BFGS:    5 12:18:56      -14.319484         0.000016
BFGS:    6 12:18:56      -14.319484         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.853313636934281e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.81153987e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.54951571e-35]]
cellpar =  Cell([[3.777050548728622, -9.013496860374137e-33, 2.7417004276580293e-33], [-1.0889607204122352e-32, 3.777050548728622, -1.0277781087502705e-18], [-8.077591498568757e-33, -1.0277781087502676e-18, 3.777050548728622]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.85331364e-10 -4.85331364e-10 -4.85331364e-10 -6.11254686e-26
 -3.37500873e-36 -3.16829327e-52]
energy per atom =  -3.579870937761044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0