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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 14:14:24       -9.632296         0.805989
BFGS:    1 14:14:24       -9.651433         0.638509
BFGS:    2 14:14:25       -9.678486         0.097222
BFGS:    3 14:14:25       -9.679123         0.028512
BFGS:    4 14:14:25       -9.679137         0.017194
BFGS:    5 14:14:25       -9.679149         0.011898
BFGS:    6 14:14:25       -9.679165         0.009229
BFGS:    7 14:14:25       -9.679171         0.003518
BFGS:    8 14:14:25       -9.679172         0.000883
BFGS:    9 14:14:25       -9.679172         0.000082
BFGS:   10 14:14:25       -9.679172         0.000003
BFGS:   11 14:14:25       -9.679172         0.000000
BFGS:   12 14:14:25       -9.679172         0.000000
Minimization converged after 12 steps.
Maximum force component: 7.264077970998707e-32 eV/Angstrom
Maximum stress component: 1.1329457718277435e-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, -3.5347757238773354e-18, 6.196031807072811e-38], [-1.4733300480065872, 2.5518824994653033, 2.8144303736619596e-38], [-1.0665407676465466e-35, -3.088745788716051e-35, 4.655252223009489]])
forces =  [[-7.26407797e-32  4.19391737e-32 -5.55752743e-70]
 [-7.26407797e-32  4.19391737e-32 -5.55752743e-70]]
stress =  [5.89398609e-11 5.89398609e-11 1.13294577e-10 2.16160000e-34
 3.74400103e-34 1.34364573e-26]
energy per atom =  -4.839585843929051
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0