element(s):
['Ti']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7179', '0.60942368']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[4.7179, 0, 0], [-2.35895, 4.0858212525146, 0], [0, 0, 2.8752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:18:26      -14.125279         0.613022
BFGS:    1 22:18:26      -14.131853         0.550855
BFGS:    2 22:18:26      -14.153224         0.171148
BFGS:    3 22:18:26      -14.154485         0.083972
BFGS:    4 22:18:26      -14.154724         0.076602
BFGS:    5 22:18:27      -14.155607         0.003933
BFGS:    6 22:18:27      -14.155608         0.000295
BFGS:    7 22:18:27      -14.155608         0.000000
BFGS:    8 22:18:27      -14.155608         0.000000
Minimization converged after 8 steps.
Maximum force component: 7.715363678432557e-32 eV/Angstrom
Maximum stress component: 7.585953927161338e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[4.694584991013174, -4.11699266907822e-18, -1.143100595076897e-37], [-2.347292495506587, 4.065629862442549, -1.542739118776116e-38], [4.872544725280662e-38, 2.2492160824998736e-36, 2.794449442523231]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.78652276e-32 -3.34085047e-32 -8.12548659e-70]
 [-7.71536368e-32  6.76611367e-50  1.87864035e-69]]
stress =  [ 3.05422092e-13  3.05422092e-13 -7.58595393e-13 -5.97251875e-49
 -1.40841386e-49 -6.22121130e-29]
energy per atom =  -4.718536087937588
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0