element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:13:01       -9.145801         1.119427
BFGS:    1 16:13:01       -9.195096         0.933004
BFGS:    2 16:13:01       -9.285504         0.244417
BFGS:    3 16:13:01       -9.290984         0.042537
BFGS:    4 16:13:01       -9.291145         0.001517
BFGS:    5 16:13:01       -9.291146         0.000009
BFGS:    6 16:13:01       -9.291146         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0460670222165287e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2590821331985693, -4.30330649358936e-33, 2.172203748283749e-35], [-2.5699636631530763e-33, 3.2590821331985707, 3.926453159644485e-22], [9.515988188451861e-33, 3.9264531595428806e-22, 3.2590821331985693]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.04606702e-10 -1.04606702e-10 -1.04606702e-10  5.91608944e-26
  2.41762318e-34 -7.93790761e-51]
energy per atom =  -4.645572766874866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0