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 16:35:43      -14.619538        0.9151
BFGS:    1 16:35:43      -14.634723        0.8457
BFGS:    2 16:35:43      -14.681600        0.5558
BFGS:    3 16:35:43      -14.708938        0.2220
BFGS:    4 16:35:43      -14.715273        0.1147
BFGS:    5 16:35:43      -14.715909        0.0979
BFGS:    6 16:35:43      -14.717731        0.0306
BFGS:    7 16:35:43      -14.718002        0.0214
BFGS:    8 16:35:43      -14.718053        0.0195
BFGS:    9 16:35:43      -14.718091        0.0168
BFGS:   10 16:35:43      -14.718144        0.0100
BFGS:   11 16:35:43      -14.718170        0.0072
BFGS:   12 16:35:43      -14.718177        0.0052
BFGS:   13 16:35:43      -14.718178        0.0037
BFGS:   14 16:35:43      -14.718180        0.0040
BFGS:   15 16:35:43      -14.718181        0.0032
BFGS:   16 16:35:43      -14.718182        0.0012
BFGS:   17 16:35:43      -14.718182        0.0002
BFGS:   18 16:35:43      -14.718182        0.0000
BFGS:   19 16:35:43      -14.718182        0.0000
BFGS:   20 16:35:43      -14.718182        0.0000
BFGS:   21 16:35:43      -14.718182        0.0000
Minimization converged after 21 steps.
Maximum force component: 7.190971757923469e-10 eV/Angstrom
Maximum stress component: 3.4046965013452575e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 1.20470864e-01]
 [2.44502824e-34 1.91080502e-32 8.79529136e-01]
 [0.00000000e+00 0.00000000e+00 6.33132679e-01]
 [0.00000000e+00 0.00000000e+00 3.66867321e-01]]
cellpar =  Cell([[2.5802636047337484, -1.0464037823283203e-36, 3.7711200606605086e-32], [-6.089276617452023e-37, 2.5802636047337484, 3.550491171641231e-17], [-3.9601631140446927e-32, 1.4364473544100075e-16, 10.16715924884257]])
forces =  [[ 9.93881389e-34 -2.60956666e-27 -1.84704713e-10]
 [-9.93881389e-34  2.60956654e-27  1.84704713e-10]
 [ 1.59176313e-34  1.01596248e-26  7.19097176e-10]
 [ 8.92940338e-35 -1.01596248e-26 -7.19097176e-10]]
stress =  [ 1.04982029e-11  1.04982029e-11 -3.40469650e-11 -3.77997245e-27
 -2.93654556e-35 -3.26022049e-51]
energy per atom =  -3.6795455816004963
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0