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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 10:27:46      -15.765038         0.560161
BFGS:    1 10:27:46      -15.777805         0.503272
BFGS:    2 10:27:46      -15.824991         0.116699
BFGS:    3 10:27:46      -15.827401         0.011145
BFGS:    4 10:27:46      -15.827423         0.000220
BFGS:    5 10:27:46      -15.827423         0.000000
BFGS:    6 10:27:46      -15.827423         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1972057064664336e-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([[3.942433688665221, -2.09755964326028e-33, -3.4951294688997757e-34], [-3.632940424929481e-33, 3.942433688665221, -7.736873355391467e-19], [7.560621268622449e-34, -7.736873355391463e-19, 3.942433688665221]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.19720571e-12 -1.19720571e-12 -1.19720571e-12 -2.43025487e-29
  2.64344580e-34  9.67157855e-51]
energy per atom =  -3.9568556770846377
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0