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_KimLee_2008_CuZr__MO_407917731909_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 16:57:05      -22.676335         0.136268
BFGS:    1 16:57:05      -22.676659         0.124059
BFGS:    2 16:57:05      -22.677863         0.041363
BFGS:    3 16:57:05      -22.677924         0.041913
BFGS:    4 16:57:05      -22.680036         0.026473
BFGS:    5 16:57:05      -22.680193         0.006845
BFGS:    6 16:57:05      -22.680200         0.000814
BFGS:    7 16:57:05      -22.680200         0.000037
BFGS:    8 16:57:05      -22.680200         0.000001
BFGS:    9 16:57:05      -22.680200         0.000000
BFGS:   10 16:57:05      -22.680200         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.404641109607764e-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([[4.6535506757078196, 3.508708752269644e-36, 2.8144968293825546e-32], [1.0984946309547053e-36, 4.653550675707822, -4.827886154048356e-18], [1.333692323004391e-33, -3.875069958455916e-18, 3.7123712304957674]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.79247664e-11 1.79247664e-11 2.40464111e-11 6.29033925e-27
 2.22963943e-35 4.92294897e-51]
energy per atom =  -5.670050057382358
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0