element(s):
['Co', 'Ti']
AFLOW prototype label:
AB_cP2_221_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:
['3.1022']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1022, 0, 0], [0, 3.1022, 0], [0, 0, 3.1022]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:36:50      -18.966789         7.144024
BFGS:    1 17:36:50      -19.452656         0.079499
BFGS:    2 17:36:51      -19.452736         0.017607
BFGS:    3 17:36:51      -19.452740         0.000064
BFGS:    4 17:36:51      -19.452740         0.000000
BFGS:    5 17:36:51      -19.452740         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.538373436799172e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.178659529832785, -6.42165806793752e-36, 6.206346858479906e-36], [1.4198655807347433e-35, 3.178659529832785, -3.4768699437880844e-28], [-1.4704189359739322e-35, -3.476869842243979e-28, 3.178659529832785]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.53837344e-15  8.53837344e-15  8.53837344e-15  3.02614837e-30
 -4.06641014e-34 -8.56791311e-50]
energy per atom =  -9.726370246924922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0