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 18:36:49      -10.578459        0.3915
BFGS:    1 18:36:49      -10.584160        0.3407
BFGS:    2 18:36:49      -10.601915        0.0329
BFGS:    3 18:36:49      -10.601985        0.0145
BFGS:    4 18:36:49      -10.601990        0.0127
BFGS:    5 18:36:49      -10.602016        0.0131
BFGS:    6 18:36:49      -10.602057        0.0168
BFGS:    7 18:36:49      -10.602121        0.0163
BFGS:    8 18:36:49      -10.602167        0.0090
BFGS:    9 18:36:50      -10.602179        0.0027
BFGS:   10 18:36:50      -10.602180        0.0004
BFGS:   11 18:36:50      -10.602181        0.0000
BFGS:   12 18:36:50      -10.602181        0.0000
BFGS:   13 18:36:50      -10.602181        0.0000
BFGS:   14 18:36:50      -10.602181        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6224119424284845e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.  0.  0. ]]
cellpar =  Cell([[4.180325859057934, 1.9036161012729835e-37, 2.0675432517575794e-33], [-2.4386658599918194e-36, 4.180325859057936, 5.330551872196048e-18], [7.313814872485251e-34, 3.667884504648046e-18, 2.943628881296039]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.28419105e-11 -1.28419105e-11 -3.62241194e-11  7.00842280e-27
  2.50419000e-34 -3.60269947e-50]
energy per atom =  -3.5340601691737574
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0