element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233', '3.4789978', '0.65461215']
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.         0.         0.65461215]]
spacegroup =  139
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 11.2476]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 00:19:35      -33.015991         0.470941
BFGS:    1 00:19:35      -33.024364         0.441568
BFGS:    2 00:19:35      -33.056747         0.210182
BFGS:    3 00:19:36      -33.057986         0.165356
BFGS:    4 00:19:36      -33.059156         0.135588
BFGS:    5 00:19:36      -33.063551         0.124645
BFGS:    6 00:19:36      -33.067561         0.159368
BFGS:    7 00:19:36      -33.070726         0.162123
BFGS:    8 00:19:36      -33.072247         0.139024
BFGS:    9 00:19:36      -33.073717         0.102486
BFGS:   10 00:19:36      -33.075695         0.083351
BFGS:   11 00:19:36      -33.077430         0.054566
BFGS:   12 00:19:36      -33.078110         0.016607
BFGS:   13 00:19:36      -33.078197         0.003991
BFGS:   14 00:19:36      -33.078201         0.000447
BFGS:   15 00:19:36      -33.078201         0.000050
BFGS:   16 00:19:37      -33.078201         0.000014
BFGS:   17 00:19:37      -33.078201         0.000002
BFGS:   18 00:19:37      -33.078201         0.000000
BFGS:   19 00:19:37      -33.078201         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.2685129929205607e-09 eV/Angstrom
Maximum stress component: 3.1505776134090014e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [4.40646666e-33 9.42654281e-34 6.52796157e-01]
 [0.00000000e+00 2.35663570e-33 3.47203843e-01]
 [5.00000000e-01 5.00000000e-01 1.52796157e-01]
 [5.00000000e-01 5.00000000e-01 8.47203843e-01]]
cellpar =  Cell([[3.268948089796895, 1.8050606423120904e-36, -1.6565215250575398e-32], [3.6673637759853635e-36, 3.268948089796896, -9.33569469480815e-18], [-2.7390777069079544e-32, -3.269698335722292e-17, 10.782901509558618]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.01464480e-32  9.91112562e-27 -3.26851299e-09]
 [-8.30269206e-42 -9.91110422e-27  3.26851299e-09]
 [ 1.00732240e-32  9.91112436e-27 -3.26851299e-09]
 [ 1.51098360e-32 -9.91109918e-27  3.26851299e-09]]
stress =  [ 5.74351132e-11  5.74351132e-11  3.15057761e-10 -2.35202120e-25
  8.74211999e-35 -6.40301623e-50]
energy per atom =  -5.5130334952418885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0