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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 16:21:11      -10.578459         0.391470
BFGS:    1 16:21:11      -10.584160         0.340695
BFGS:    2 16:21:11      -10.601915         0.032880
BFGS:    3 16:21:11      -10.601985         0.014543
BFGS:    4 16:21:11      -10.601990         0.012696
BFGS:    5 16:21:11      -10.602016         0.013129
BFGS:    6 16:21:11      -10.602057         0.016827
BFGS:    7 16:21:11      -10.602121         0.016297
BFGS:    8 16:21:11      -10.602167         0.009022
BFGS:    9 16:21:11      -10.602179         0.002728
BFGS:   10 16:21:11      -10.602180         0.000384
BFGS:   11 16:21:11      -10.602181         0.000025
BFGS:   12 16:21:11      -10.602181         0.000002
BFGS:   13 16:21:11      -10.602181         0.000000
BFGS:   14 16:21:12      -10.602181         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.622455121426487e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[1.77224693e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.180325859057935, 5.9144541383152814e-37, -1.6895631168427183e-32], [-1.106302983436985e-36, 4.180325859057934, 5.699022490962139e-18], [-5.8916621059854275e-33, 3.9254210529367195e-18, 2.9436288812960383]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.28422034e-11 -1.28422034e-11 -3.62245512e-11 -1.13278152e-26
  1.25209500e-34  3.91543862e-50]
energy per atom =  -3.534060169173758
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0