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:
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_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 14:23:32      -56.642303        0.6960
BFGS:    1 14:23:32      -56.662376        0.6499
BFGS:    2 14:23:32      -56.742075        0.4105
BFGS:    3 14:23:32      -56.784822        0.1571
BFGS:    4 14:23:32      -56.791841        0.0072
BFGS:    5 14:23:32      -56.791855        0.0001
BFGS:    6 14:23:32      -56.791855        0.0000
BFGS:    7 14:23:32      -56.791855        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0106676955585906e-13 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 2.22389215e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [3.16034083e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.3300884445002685, 2.314781365503935e-32, -4.204819051890065e-33], [-7.885347390760923e-33, 4.3300884445002685, -1.364921931980417e-18], [-3.0516499626436625e-33, -1.3649219319804243e-18, 4.3300884445002685]])
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 =  [-1.01066770e-13 -1.01066770e-13 -1.01066770e-13  3.07439252e-30
 -4.38263867e-34 -4.41367280e-50]
energy per atom =  -7.098981934642532
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0