element(s):
['Cu', 'Ti']
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:
['4.5026', '0.76533558']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.5026, 0, 0], [0, 4.5026, 0], [0, 0, 3.446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:57      -18.510761         0.716206
BFGS:    1 15:56:57      -18.525913         0.683775
BFGS:    2 15:56:57      -18.593412         0.518851
BFGS:    3 15:56:57      -18.649386         0.639099
BFGS:    4 15:56:57      -18.693702         0.793939
BFGS:    5 15:56:57      -18.726889         0.917322
BFGS:    6 15:56:57      -18.752116         0.998577
BFGS:    7 15:56:57      -18.774904         1.010450
BFGS:    8 15:56:57      -18.800405         0.972925
BFGS:    9 15:56:58      -18.828769         0.907314
BFGS:   10 15:56:58      -18.858490         0.824125
BFGS:   11 15:56:58      -18.887892         0.729341
BFGS:   12 15:56:58      -18.915485         0.626932
BFGS:   13 15:56:58      -18.940119         0.519633
BFGS:   14 15:56:58      -18.960961         0.409332
BFGS:   15 15:56:58      -18.977412         0.297295
BFGS:   16 15:56:58      -18.989019         0.184168
BFGS:   17 15:56:58      -18.995396         0.069914
BFGS:   18 15:56:58      -18.996525         0.008504
BFGS:   19 15:56:58      -18.996536         0.003825
BFGS:   20 15:56:58      -18.996540         0.000450
BFGS:   21 15:56:58      -18.996540         0.000069
BFGS:   22 15:56:58      -18.996540         0.000002
BFGS:   23 15:56:58      -18.996540         0.000000
BFGS:   24 15:56:58      -18.996540         0.000000
Minimization converged after 24 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8208732916436757e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [6.75152586e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.075539851214836, 2.3800442299718472e-35, 7.894648425733135e-33], [1.4715872631284936e-35, 4.07553985121484, 4.2680475963342546e-17], [-4.6086672531625176e-32, 3.5035398715884546e-17, 4.075539850999464]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.29059881e-13 -7.29059881e-13 -1.82087329e-11  2.39502693e-27
 -7.42079051e-34  9.06776211e-50]
energy per atom =  -4.749135072867279
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.