element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:41:45       -4.076085         0.169667
BFGS:    1 10:41:45       -4.077001         0.082610
BFGS:    2 10:41:45       -4.077292         0.002079
BFGS:    3 10:41:45       -4.077292         0.000026
BFGS:    4 10:41:45       -4.077292         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.529360559193055e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.7824867085390483, -3.461066795081478e-33, -2.9111598013125e-35], [-3.170693156132907e-33, 1.7824867085390483, 1.789655082881567e-20], [-9.19535731971736e-34, 1.7896550828816245e-20, 1.7824867085390483]])
forces =  [[0. 0. 0.]]
stress =  [-1.52936056e-09 -1.52936056e-09 -1.52936056e-09  4.14343549e-27
 -2.95444139e-59  2.99885038e-58]
energy per atom =  -4.077291983819497
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0