element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:46      -36.136722        14.424597
BFGS:    1 15:17:47      -37.869762         8.895816
BFGS:    2 15:17:47      -38.863089         4.521192
BFGS:    3 15:17:47      -39.272776         1.081080
BFGS:    4 15:17:47      -39.301830         0.163637
BFGS:    5 15:17:47      -39.302548         0.007454
BFGS:    6 15:17:47      -39.302550         0.000055
BFGS:    7 15:17:47      -39.302550         0.000000
BFGS:    8 15:17:47      -39.302550         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.663129482302428e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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 1.75050962e-34]]
cellpar =  Cell([[4.400843999429797, 6.786196411292713e-33, -6.968974266552809e-33], [1.2160113831547552e-32, 4.400843999429797, 7.455542056548452e-18], [-1.204109681832278e-32, 7.455542056548455e-18, 4.400843999429797]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.66312948e-16 -9.66312948e-16 -9.66312948e-16 -9.65238235e-33
 -1.06071146e-34  3.96349894e-51]
energy per atom =  -9.825637396971167
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0