element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2717']
model name:
MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2717, 0, 0], [0, 3.2717, 0], [0, 0, 3.2717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 00:19:30      -10.138173         0.151964
BFGS:    1 00:19:31      -10.139030         0.111134
BFGS:    2 00:19:31      -10.140000         0.002359
BFGS:    3 00:19:31      -10.140000         0.000035
BFGS:    4 00:19:31      -10.140000         0.000000
BFGS:    5 00:19:31      -10.140000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0190794983283156e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2586803970749614, 3.3983494114143e-33, -8.917972500321839e-33], [-7.9828399712761e-33, 3.2586803970749614, -2.1442729640644918e-18], [1.024254512375693e-32, -2.1442729640645107e-18, 3.2586803970749614]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.01907950e-15 -3.01907950e-15 -3.01907950e-15  2.87515715e-31
 -4.83643863e-35  1.05043717e-51]
energy per atom =  -5.070000000065663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0