element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0022', '1.5915662']
model name:
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:14:31       -9.707241         0.666265
BFGS:    1 15:14:31       -9.723322         0.513189
BFGS:    2 15:14:31       -9.745155         0.060116
BFGS:    3 15:14:31       -9.745382         0.005966
BFGS:    4 15:14:31       -9.745383         0.003915
BFGS:    5 15:14:31       -9.745384         0.004065
BFGS:    6 15:14:31       -9.745385         0.002571
BFGS:    7 15:14:31       -9.745385         0.000897
BFGS:    8 15:14:31       -9.745385         0.000117
BFGS:    9 15:14:31       -9.745385         0.000009
BFGS:   10 15:14:31       -9.745385         0.000001
BFGS:   11 15:14:31       -9.745385         0.000000
BFGS:   12 15:14:31       -9.745385         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.3100108792268637e-33 eV/Angstrom
Maximum stress component: 2.8323960313643314e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9453374042777334, 7.829756979733161e-18, -2.0029011197369098e-38], [-1.4726687021388667, 2.5507370148210344, 1.665419576151771e-37], [1.2662702460218197e-37, 4.44157127869769e-37, 4.687408031550693]])
forces =  [[ 7.56335134e-34 -1.31001088e-33 -8.55328382e-71]
 [-7.56335134e-34  1.31001088e-33  8.55328382e-71]]
stress =  [ 1.60975298e-11  1.60975298e-11  2.83239603e-11  3.87019022e-48
 -1.48799474e-34 -2.70737580e-27]
energy per atom =  -4.872692726078663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0