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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 15:14:30       -9.632296         0.805989
BFGS:    1 15:14:30       -9.651433         0.638509
BFGS:    2 15:14:30       -9.678486         0.097222
BFGS:    3 15:14:30       -9.679123         0.028512
BFGS:    4 15:14:30       -9.679137         0.017194
BFGS:    5 15:14:30       -9.679149         0.011898
BFGS:    6 15:14:30       -9.679165         0.009229
BFGS:    7 15:14:30       -9.679171         0.003518
BFGS:    8 15:14:30       -9.679172         0.000883
BFGS:    9 15:14:30       -9.679172         0.000082
BFGS:   10 15:14:30       -9.679172         0.000003
BFGS:   11 15:14:30       -9.679172         0.000000
BFGS:   12 15:14:30       -9.679172         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1329342699390174e-10 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([[2.9466600960131744, -1.6105758290691147e-17, -1.9480980920378868e-36], [-1.4733300480065872, 2.5518824994653024, -1.7128110125027715e-36], [-1.0821332059404095e-36, -1.4909370869499946e-36, 4.655252223009449]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [5.89383547e-11 5.89383547e-11 1.13293427e-10 8.64640002e-35
 1.49760041e-34 1.33421125e-26]
energy per atom =  -4.839585843929054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0