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_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_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 13:54:20      -14.367139        0.6761
BFGS:    1 13:54:20      -14.382043        0.5796
BFGS:    2 13:54:20      -14.418099        0.0341
BFGS:    3 13:54:20      -14.418124        0.0298
BFGS:    4 13:54:20      -14.418291        0.0168
BFGS:    5 13:54:20      -14.418364        0.0152
BFGS:    6 13:54:20      -14.418170        0.0518
BFGS:    7 13:54:20      -14.418395        0.0071
BFGS:    8 13:54:20      -14.418400        0.0026
BFGS:    9 13:54:20      -14.418401        0.0002
BFGS:   10 13:54:20      -14.418401        0.0001
BFGS:   11 13:54:20      -14.418401        0.0000
BFGS:   12 13:54:20      -14.418401        0.0000
BFGS:   13 13:54:20      -14.418401        0.0000
BFGS:   14 13:54:21      -14.418401        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.817510225195101e-32 eV/Angstrom
Maximum stress component: 3.168006949911217e-11 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([[4.6456983632121345, 3.593415057422049e-18, 5.103058065708699e-38], [-2.3228491816060672, 4.023292800861492, -1.9729544113805385e-37], [-3.683429225568331e-37, -1.3243797720685055e-36, 2.802841145973935]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.81751023e-32 -2.95281735e-50 -4.19333646e-70]
 [ 3.81751023e-32  2.95281735e-50  4.19333646e-70]]
stress =  [-3.16800695e-11 -3.16800695e-11  3.77778336e-12  1.82175129e-34
  3.15536579e-34  1.37924222e-27]
energy per atom =  -4.806133561908757
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0