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 09:19:06      -18.510761        0.7162
BFGS:    1 09:19:06      -18.525913        0.6838
BFGS:    2 09:19:06      -18.593412        0.5189
BFGS:    3 09:19:06      -18.649386        0.6391
BFGS:    4 09:19:06      -18.693702        0.7939
BFGS:    5 09:19:06      -18.726889        0.9173
BFGS:    6 09:19:06      -18.752116        0.9986
BFGS:    7 09:19:06      -18.774904        1.0104
BFGS:    8 09:19:06      -18.800405        0.9729
BFGS:    9 09:19:06      -18.828769        0.9073
BFGS:   10 09:19:06      -18.858490        0.8241
BFGS:   11 09:19:06      -18.887892        0.7293
BFGS:   12 09:19:06      -18.915485        0.6269
BFGS:   13 09:19:06      -18.940119        0.5196
BFGS:   14 09:19:06      -18.960961        0.4093
BFGS:   15 09:19:06      -18.977412        0.2973
BFGS:   16 09:19:06      -18.989019        0.1842
BFGS:   17 09:19:06      -18.995396        0.0699
BFGS:   18 09:19:06      -18.996525        0.0085
BFGS:   19 09:19:06      -18.996536        0.0038
BFGS:   20 09:19:06      -18.996540        0.0004
BFGS:   21 09:19:06      -18.996540        0.0001
BFGS:   22 09:19:06      -18.996540        0.0000
BFGS:   23 09:19:06      -18.996540        0.0000
BFGS:   24 09:19:06      -18.996540        0.0000
Minimization converged after 24 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8208590232839414e-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 2.26827956e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.56093186e-34 5.00000000e-01]]
cellpar =  Cell([[4.075539851214839, 1.4473235326903873e-35, 3.9026758304302065e-32], [5.398859099088825e-35, 4.075539851214838, -4.853052199739922e-17], [-1.8468832111497986e-32, -3.5528177208820226e-17, 4.075539850999463]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.28765494e-13 -7.28765494e-13 -1.82085902e-11  6.07581308e-27
  9.27598814e-35 -3.01571545e-50]
energy per atom =  -4.749135072867281
===============================================
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.