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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:56:35      -37.386444        16.429686
BFGS:    1 15:56:35      -38.978753        11.162286
BFGS:    2 15:56:35      -39.863838         7.477149
BFGS:    3 15:56:35      -40.334330         4.925465
BFGS:    4 15:56:35      -40.576880         3.208546
BFGS:    5 15:56:35      -40.710135         2.075715
BFGS:    6 15:56:35      -40.802009         1.319479
BFGS:    7 15:56:35      -40.884840         1.713311
BFGS:    8 15:56:35      -40.968083         2.229758
BFGS:    9 15:56:35      -41.054337         2.662686
BFGS:   10 15:56:35      -41.143152         3.034649
BFGS:   11 15:56:35      -41.234038         3.361826
BFGS:   12 15:56:35      -41.326088         3.631567
BFGS:   13 15:56:35      -41.418433         3.851098
BFGS:   14 15:56:35      -41.510777         4.045157
BFGS:   15 15:56:35      -41.602128         4.155056
BFGS:   16 15:56:35      -41.691182         4.199417
BFGS:   17 15:56:35      -41.776307         4.171671
BFGS:   18 15:56:35      -41.856504         4.054208
BFGS:   19 15:56:35      -41.931132         3.816753
BFGS:   20 15:56:36      -42.000139         3.403534
BFGS:   21 15:56:36      -42.066528         2.656639
BFGS:   22 15:56:36      -42.129898         2.301369
BFGS:   23 15:56:36      -42.218327         1.467292
BFGS:   24 15:56:36      -42.269799         0.632442
BFGS:   25 15:56:36      -42.286240         0.135224
BFGS:   26 15:56:36      -42.286640         0.026391
BFGS:   27 15:56:36      -42.286655         0.000215
BFGS:   28 15:56:36      -42.286655         0.000000
BFGS:   29 15:56:36      -42.286655         0.000000
Minimization converged after 29 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.411515158381863e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [7.0324664e-50 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[4.256680809499313, 6.983526972526221e-35, -3.193115189347347e-32], [-5.8169723010913e-34, 4.256680809499313, -7.427596765756807e-17], [-6.920797878748777e-33, -7.086076931322099e-17, 4.256680809503016]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.06263438e-12  2.06263438e-12  4.41151516e-12  2.23662799e-27
 -6.80265253e-34 -2.35004190e-49]
energy per atom =  -10.57166382091905
===============================================
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.