element(s):
['Ti']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2228']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2228, 0, 0], [0, 4.2228, 0], [0, 0, 4.2228]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:34      -18.932249         0.772971
BFGS:    1 15:18:34      -18.956565         0.694593
BFGS:    2 15:18:34      -19.032134         0.302503
BFGS:    3 15:18:34      -19.047407         0.045608
BFGS:    4 15:18:34      -19.047733         0.002437
BFGS:    5 15:18:34      -19.047734         0.000018
BFGS:    6 15:18:34      -19.047734         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.11517687517716e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.14915255e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.29926636e-37]]
cellpar =  Cell([[4.122695886134671, -1.4336049326442272e-32, 2.7793455707706583e-33], [-1.7755762721221038e-33, 4.122695886134671, 3.559260238712481e-20], [-3.6078272837839636e-33, 3.5592602387127275e-20, 4.122695886134671]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.11517688e-10 -4.11517688e-10 -4.11517688e-10 -1.03474123e-26
  7.55416779e-36  1.37933846e-52]
energy per atom =  -4.761933451265044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0