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_KimJungLee_2009_FeTiC__MO_110119204723_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 15:14:32       -9.707241         0.666265
BFGS:    1 15:14:32       -9.723322         0.513188
BFGS:    2 15:14:32       -9.745155         0.060116
BFGS:    3 15:14:32       -9.745382         0.005966
BFGS:    4 15:14:32       -9.745383         0.003915
BFGS:    5 15:14:32       -9.745384         0.004065
BFGS:    6 15:14:32       -9.745385         0.002571
BFGS:    7 15:14:32       -9.745385         0.000898
BFGS:    8 15:14:32       -9.745385         0.000117
BFGS:    9 15:14:32       -9.745385         0.000009
BFGS:   10 15:14:32       -9.745385         0.000001
BFGS:   11 15:14:32       -9.745385         0.000000
BFGS:   12 15:14:32       -9.745385         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.260817246826686e-32 eV/Angstrom
Maximum stress component: 2.8323386118041102e-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([[2.9453373891479453, -8.731654881513274e-18, 1.6714574875926526e-36], [-1.4726686945739726, 2.5507370017182547, -6.844466104432258e-39], [6.290160319880683e-37, -6.149555262373889e-36, 4.687408041252855]])
forces =  [[-7.26081725e-32  4.19203479e-32 -2.75822250e-68]
 [ 7.26081725e-32 -4.19203479e-32  2.75822250e-68]]
stress =  [1.60965383e-11 1.60965383e-11 2.83233861e-11 1.11682242e-33
 1.48799475e-34 2.95717905e-27]
energy per atom =  -4.872692726145389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0