element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB_tP4_123_g_g
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5674', '4.1140453', '0.1176028', '0.63850998']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.         0.         0.1176028 ]
 [0.         0.         0.63850998]]
spacegroup =  123
cell =  [[2.5674, 0, 0], [0, 2.5674, 0], [0, 0, 10.5624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:22      -14.619538         0.915096
BFGS:    1 15:56:22      -14.634723         0.845718
BFGS:    2 15:56:22      -14.681600         0.555800
BFGS:    3 15:56:22      -14.708938         0.222021
BFGS:    4 15:56:22      -14.715273         0.114694
BFGS:    5 15:56:22      -14.715909         0.097861
BFGS:    6 15:56:22      -14.717731         0.030585
BFGS:    7 15:56:22      -14.718002         0.021350
BFGS:    8 15:56:22      -14.718053         0.019513
BFGS:    9 15:56:22      -14.718091         0.016834
BFGS:   10 15:56:22      -14.718144         0.010044
BFGS:   11 15:56:22      -14.718170         0.007245
BFGS:   12 15:56:22      -14.718177         0.005227
BFGS:   13 15:56:22      -14.718178         0.003745
BFGS:   14 15:56:22      -14.718180         0.004042
BFGS:   15 15:56:22      -14.718181         0.003176
BFGS:   16 15:56:22      -14.718182         0.001242
BFGS:   17 15:56:22      -14.718182         0.000203
BFGS:   18 15:56:22      -14.718182         0.000024
BFGS:   19 15:56:22      -14.718182         0.000002
BFGS:   20 15:56:22      -14.718182         0.000000
BFGS:   21 15:56:22      -14.718182         0.000000
Minimization converged after 21 steps.
Maximum force component: 7.190922960728073e-10 eV/Angstrom
Maximum stress component: 3.404785194966178e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
basis =  [[0.00000000e+00 2.38850628e-33 1.20470864e-01]
 [0.00000000e+00 0.00000000e+00 8.79529136e-01]
 [0.00000000e+00 4.77701256e-33 6.33132679e-01]
 [0.00000000e+00 0.00000000e+00 3.66867321e-01]]
cellpar =  Cell([[2.5802636047337475, -3.034800601690923e-37, -1.8430458484239005e-31], [-4.650752903081479e-37, 2.580263604733748, 3.273781345225603e-17], [2.626044723728322e-32, 1.2934837205855136e-16, 10.167159248842564]])
forces =  [[ 8.69646214e-34 -2.34961334e-27 -1.84686519e-10]
 [-6.21175867e-34  2.34961508e-27  1.84686519e-10]
 [-5.32003141e-35  9.14841765e-27  7.19092296e-10]
 [-7.08528743e-35 -9.14841753e-27 -7.19092296e-10]]
stress =  [ 1.04980530e-11  1.04980530e-11 -3.40478519e-11  2.95642008e-26
 -1.61510019e-34  1.40241288e-49]
energy per atom =  -3.6795455816004976
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0