element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tP3_123_e_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1364', '0.69686201']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  123
cell =  [[4.1364, 0, 0], [0, 4.1364, 0], [0, 0, 2.8825]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 00:13:31      -10.578459         0.391470
BFGS:    1 00:13:32      -10.584160         0.340695
BFGS:    2 00:13:32      -10.601915         0.032880
BFGS:    3 00:13:32      -10.601985         0.014543
BFGS:    4 00:13:33      -10.601990         0.012696
BFGS:    5 00:13:33      -10.602016         0.013129
BFGS:    6 00:13:33      -10.602057         0.016827
BFGS:    7 00:13:34      -10.602121         0.016297
BFGS:    8 00:13:34      -10.602167         0.009022
BFGS:    9 00:13:34      -10.602179         0.002728
BFGS:   10 00:13:35      -10.602180         0.000384
BFGS:   11 00:13:35      -10.602181         0.000025
BFGS:   12 00:13:35      -10.602181         0.000002
BFGS:   13 00:13:36      -10.602181         0.000000
BFGS:   14 00:13:36      -10.602181         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6225020706324815e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.60712875e-35 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.180325859057942, -2.965528983825265e-37, -4.2205524531664275e-32], [-3.2068542345036274e-37, 4.180325859057941, 1.5202697131361527e-18], [-1.7669273477970903e-32, 1.0609745184114898e-18, 2.943628881296043]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.28428211e-11 -1.28428211e-11 -3.62250207e-11 -2.16356206e-28
  3.07280639e-44  1.39303784e-60]
energy per atom =  -3.5340601691737565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0