element(s):
['Al', 'Ti']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0145']
model name:
MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0145, 0, 0], [0, 4.0145, 0], [0, 0, 4.0145]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:14      -15.765038        0.5602
BFGS:    1 13:54:14      -15.777805        0.5033
BFGS:    2 13:54:14      -15.824991        0.1167
BFGS:    3 13:54:14      -15.827401        0.0111
BFGS:    4 13:54:14      -15.827423        0.0002
BFGS:    5 13:54:14      -15.827423        0.0000
BFGS:    6 13:54:14      -15.827423        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1980322046574897e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ti']
basis =  [[0.000000e+00 5.000000e-01 5.000000e-01]
 [5.000000e-01 1.106213e-16 5.000000e-01]
 [5.000000e-01 5.000000e-01 1.106213e-16]
 [0.000000e+00 1.106213e-16 1.106213e-16]]
cellpar =  Cell([[3.9424336886652203, 2.0710895588666915e-33, -4.780981320515944e-32], [-7.488103419974313e-33, 3.9424336886652203, 4.0237753373449446e-18], [-2.463081790989901e-32, 4.023775337344933e-18, 3.9424336886652203]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.19803220e-12 -1.19803220e-12 -1.19803220e-12  2.94398699e-28
  1.98258435e-34 -2.63069663e-50]
energy per atom =  -3.9568556770846355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0