element(s):
['C', 'Ti']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.407']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.407, 0, 0], [0, 4.407, 0], [0, 0, 4.407]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:19:06     -109.090767        19.510359
BFGS:    1 20:19:06     -111.703790        15.420028
BFGS:    2 20:19:06     -113.733276        11.712262
BFGS:    3 20:19:06     -115.241789         8.457018
BFGS:    4 20:19:06     -116.286534         5.531572
BFGS:    5 20:19:06     -116.917957         2.940178
BFGS:    6 20:19:07     -117.183605         0.649252
BFGS:    7 20:19:07     -117.198400         0.050379
BFGS:    8 20:19:07     -117.198492         0.000968
BFGS:    9 20:19:07     -117.198492         0.000001
BFGS:   10 20:19:07     -117.198492         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.792113972054376e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.19496512e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.04529169e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.68176390e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.97482560e-49 7.46853201e-50]
 [1.79244768e-48 5.00000000e-01 0.00000000e+00]
 [1.92638594e-66 3.36352780e-34 5.00000000e-01]]
cellpar =  Cell([[4.580737989907288, -2.4530284430416526e-32, 3.820184787317382e-33], [-2.623516074658589e-32, 4.580737989907288, 1.0146921885444163e-17], [-3.9549691594080994e-33, 1.0146921885444164e-17, 4.580737989907288]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.79211397e-12 -3.79211397e-12 -3.79211397e-12 -2.32608054e-30
  2.80888188e-61  2.08845634e-61]
energy per atom =  -14.649811488845248
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0