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 10:10:55      -18.932249         0.772971
BFGS:    1 10:10:55      -18.956565         0.694593
BFGS:    2 10:10:55      -19.032134         0.302503
BFGS:    3 10:10:55      -19.047407         0.045608
BFGS:    4 10:10:55      -19.047733         0.002437
BFGS:    5 10:10:55      -19.047734         0.000018
BFGS:    6 10:10:55      -19.047734         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.1151768751771586e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 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, 1.6094334400342487e-33, 1.3189577722689368e-33], [9.650535755689112e-34, 4.122695886134671, 3.55926023871268e-20], [-2.0165672196618395e-33, 3.559260238712703e-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  1.53309544e-26
  7.55416779e-36 -5.44886669e-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