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_KimJungLee_2009_FeTiC__SM_531038274471_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 10:18:49      -14.159895         0.466544
BFGS:    1 10:18:49      -14.167762         0.400700
BFGS:    2 10:18:49      -14.187003         0.042604
BFGS:    3 10:18:49      -14.187111         0.027369
BFGS:    4 10:18:49      -14.187127         0.025658
BFGS:    5 10:18:49      -14.187205         0.000838
BFGS:    6 10:18:49      -14.187205         0.000075
BFGS:    7 10:18:49      -14.187205         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.723574237291082e-31 eV/Angstrom
Maximum stress component: 4.4634210141587226e-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([[4.661098488405233, 1.1918996041018602e-17, -3.545152877868953e-40], [-2.3305492442026163, 4.036629700500178, -1.7066524930897956e-39], [1.3435408017990545e-37, 7.678292989869982e-37, 2.829904363882262]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.53206599e-31 -6.63404033e-32  1.93086782e-71]
 [-1.72357424e-31  1.65851008e-31 -6.42940693e-71]]
stress =  [-3.64847582e-10 -3.64847582e-10 -4.46342101e-10  1.79836789e-34
 -1.24101403e-47 -1.95913951e-26]
energy per atom =  -4.729068422479576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0