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_KimLee_2008_TiN__MO_070542625990_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 14:22:42      -14.159895         0.466544
BFGS:    1 14:22:42      -14.167762         0.400700
BFGS:    2 14:22:42      -14.187003         0.042604
BFGS:    3 14:22:42      -14.187111         0.027369
BFGS:    4 14:22:42      -14.187127         0.025658
BFGS:    5 14:22:42      -14.187205         0.000839
BFGS:    6 14:22:42      -14.187205         0.000075
BFGS:    7 14:22:42      -14.187205         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.244803615267071e-31 eV/Angstrom
Maximum stress component: 4.3814187172053346e-10 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([[4.661098486329814, -2.4514476216680518e-18, 4.5608693567570357e-38], [-2.330549243164907, 4.0366296987028125, -1.4533677581226443e-37], [3.2404872316491054e-37, -5.7944428710505006e-36, 2.8299043748949795]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.83016497e-32 -3.31702016e-32  1.38166623e-69]
 [-1.24480362e-31  4.97553025e-32 -2.72836499e-69]]
stress =  [-3.70286085e-10 -3.70286085e-10 -4.38141872e-10  2.24795985e-35
  3.50422261e-34 -6.35560767e-26]
energy per atom =  -4.729068422459
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0