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:
Sim_LAMMPS_MEAM_KoGrabowskiNeugebauer_2015_NiTi__SM_770142935022_000
==== 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 11:39:05      -14.367139         0.676113
BFGS:    1 11:39:05      -14.382043         0.579642
BFGS:    2 11:39:05      -14.418099         0.034091
BFGS:    3 11:39:05      -14.418124         0.029809
BFGS:    4 11:39:05      -14.418291         0.016811
BFGS:    5 11:39:05      -14.418364         0.015209
BFGS:    6 11:39:06      -14.418170         0.051779
BFGS:    7 11:39:06      -14.418395         0.007053
BFGS:    8 11:39:06      -14.418400         0.002573
BFGS:    9 11:39:06      -14.418401         0.000230
BFGS:   10 11:39:06      -14.418401         0.000126
BFGS:   11 11:39:06      -14.418401         0.000015
BFGS:   12 11:39:06      -14.418401         0.000001
BFGS:   13 11:39:06      -14.418401         0.000000
BFGS:   14 11:39:07      -14.418401         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.1017270579710426e-32 eV/Angstrom
Maximum stress component: 3.167671874446508e-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([[4.645698363212168, -1.2285680447223605e-17, 2.4572378641336043e-36], [-2.322849181606084, 4.023292800861524, -7.287639241448203e-36], [8.040887446798656e-37, -5.2715759079195453e-36, 2.8028411459739133]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.62453828e-32  4.13257604e-33 -2.01055054e-68]
 [ 3.10172706e-32 -2.06628802e-32  4.75238854e-68]]
stress =  [-3.16767187e-11 -3.16767187e-11  3.77724307e-12 -5.87952122e-47
  5.39008102e-48 -2.77004822e-27]
energy per atom =  -4.80613356190876
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0