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_KimSeolJi_2017_PtTi__MO_280985530673_001
==== 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 10:19:19      -14.159895         0.466544
BFGS:    1 10:19:19      -14.167762         0.400700
BFGS:    2 10:19:19      -14.187003         0.042604
BFGS:    3 10:19:19      -14.187111         0.027369
BFGS:    4 10:19:19      -14.187127         0.025658
BFGS:    5 10:19:19      -14.187205         0.000838
BFGS:    6 10:19:19      -14.187205         0.000075
BFGS:    7 10:19:19      -14.187205         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.005418305086468e-31 eV/Angstrom
Maximum stress component: 4.4634764865035204e-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([[4.6610984884052495, 2.5326875053706327e-17, 8.383029736729162e-41], [-2.3305492442026248, 4.036629700500192, -3.417432863278778e-40], [-1.0780194142357351e-37, 2.0202972716071054e-37, 2.8299043638822434]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.74524746e-32 -3.31702017e-32  7.26693007e-34]
 [-1.00541831e-31  4.14627521e-32 -7.26693007e-34]]
stress =  [-3.64843547e-10 -3.64843547e-10 -4.46347649e-10  4.38352173e-34
 -1.94679035e-35  4.59276072e-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