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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 16:29:57      -55.194878         0.145347
BFGS:    1 16:29:57      -55.195743         0.132400
BFGS:    2 16:29:58      -55.199999         0.001752
BFGS:    3 16:29:58      -55.200000         0.000022
BFGS:    4 16:29:58      -55.200000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3152875399201805e-10 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 0.00000000e+00 1.54802662e-49]
 [1.20939580e-51 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.419999995503233, 2.7124013315615035e-35, -1.2144710148209138e-32], [-2.533066898897334e-35, 4.419999995503233, 1.87219178122507e-21], [-1.4820545004552902e-32, 1.8721917812381167e-21, 4.419999995503233]])
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 =  [-3.31528754e-10 -3.31528754e-10 -3.31528754e-10  2.20855215e-25
  2.62884318e-35 -2.91888346e-51]
energy per atom =  -6.900000000260229
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0