element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB3_tP4_123_a_ce
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:
['4.6201', '0.81967923']
model name:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.6201, 0, 0], [0, 4.6201, 0], [0, 0, 3.787]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:45:11      -22.676335         0.136268
BFGS:    1 12:45:11      -22.676659         0.124059
BFGS:    2 12:45:11      -22.677863         0.041363
BFGS:    3 12:45:11      -22.677924         0.041913
BFGS:    4 12:45:11      -22.680036         0.026473
BFGS:    5 12:45:11      -22.680193         0.006845
BFGS:    6 12:45:11      -22.680200         0.000814
BFGS:    7 12:45:11      -22.680200         0.000037
BFGS:    8 12:45:12      -22.680200         0.000001
BFGS:    9 12:45:12      -22.680200         0.000000
BFGS:   10 12:45:12      -22.680200         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.404783627579656e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr', 'Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[4.653550675707825, -5.1738658149492805e-37, 6.138709910457227e-33], [4.232340417596691e-37, 4.653550675707823, -1.794829730249902e-17], [1.064314717853496e-32, -1.4659331335674856e-17, 3.7123712304957706]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.79261788e-11  1.79261788e-11  2.40478363e-11  2.22875057e-27
 -7.51713012e-45 -1.00316005e-60]
energy per atom =  -5.670050057382361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0