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 14:21:43     -109.090767       19.5104
BFGS:    1 14:21:43     -111.703790       15.4200
BFGS:    2 14:21:43     -113.733276       11.7123
BFGS:    3 14:21:44     -115.241789        8.4570
BFGS:    4 14:21:44     -116.286534        5.5316
BFGS:    5 14:21:44     -116.917957        2.9402
BFGS:    6 14:21:44     -117.183605        0.6493
BFGS:    7 14:21:44     -117.198400        0.0504
BFGS:    8 14:21:44     -117.198492        0.0010
BFGS:    9 14:21:44     -117.198492        0.0000
BFGS:   10 14:21:44     -117.198492        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7921139720543755e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.18941598e-68 3.73426600e-50]
 [2.98741280e-49 5.00000000e-01 0.00000000e+00]
 [2.05384630e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.580737989907288, -1.257880012322518e-32, 2.0395255749180064e-33], [-1.7913641944285255e-32, 4.580737989907288, -2.6857060958389425e-18], [1.4476866307529167e-33, -2.6857060958389483e-18, 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 -1.37840290e-28
  5.46263239e-61 -4.19643619e-60]
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