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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 13:42:43       -4.377200        63.820822
BFGS:    1 13:42:43      -10.612649        50.464107
BFGS:    2 13:42:43      -15.324226        39.605715
BFGS:    3 13:42:43      -19.792612        30.831544
BFGS:    4 13:42:43      -22.570786        23.492136
BFGS:    5 13:42:43      -24.713707        17.504798
BFGS:    6 13:42:43      -26.299992        12.646348
BFGS:    7 13:42:43      -27.411413         8.692701
BFGS:    8 13:42:43      -28.144475         5.470763
BFGS:    9 13:42:43      -28.572163         2.873444
BFGS:   10 13:42:43      -28.754739         0.777783
BFGS:   11 13:42:43      -28.770695         0.113656
BFGS:   12 13:42:43      -28.771082         0.030221
BFGS:   13 13:42:43      -28.771098         0.012266
BFGS:   14 13:42:43      -28.771102         0.001247
BFGS:   15 13:42:43      -28.771102         0.000182
BFGS:   16 13:42:43      -28.771102         0.000034
BFGS:   17 13:42:43      -28.771102         0.000006
BFGS:   18 13:42:43      -28.771102         0.000000
BFGS:   19 13:42:43      -28.771102         0.000000
BFGS:   20 13:42:43      -28.771102         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.205957708452104e-10 eV/Angstrom
Maximum stress component: 6.916393904818955e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 1.14269781e-01]
 [0.00000000e+00 0.00000000e+00 8.85730219e-01]
 [2.53154463e-34 0.00000000e+00 6.35613895e-01]
 [0.00000000e+00 0.00000000e+00 3.64386105e-01]]
cellpar =  Cell([[2.9018806282178233, 2.631515368134638e-35, -9.491364568158398e-32], [-2.2850270613836014e-34, 2.901880628217823, 7.217398770048309e-17], [7.020344762935193e-32, 2.974434340542877e-16, 11.172039814331642]])
forces =  [[-1.34131651e-32  2.18474807e-26  8.20595771e-10]
 [-4.47105504e-33 -2.18474807e-26 -8.20595771e-10]
 [ 1.11776376e-33  2.63988495e-27  9.91545034e-11]
 [ 2.23552752e-33 -2.63988998e-27 -9.91545034e-11]]
stress =  [-5.33830112e-11 -5.33830112e-11  6.91639390e-11  3.87089702e-28
  6.77731490e-42 -1.13771645e-58]
energy per atom =  -7.192775397117185
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0