element(s):
['Pt', 'Ti']
AFLOW prototype label:
A3B_hP16_194_gh_ac
Parameter names:
['a', 'c/a', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5878', '1.6292995', '0.83305759']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'Ti', 'Ti']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.83305759 0.66611518 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.5878, 0, 0], [-2.7939, 4.8391767512667, 0], [0, 0, 9.1042]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:36     -100.052165         0.202530
BFGS:    1 15:25:36     -100.055629         0.154450
BFGS:    2 15:25:36     -100.061127         0.067292
BFGS:    3 15:25:36     -100.061299         0.063116
BFGS:    4 15:25:36     -100.062446         0.015364
BFGS:    5 15:25:36     -100.062450         0.014834
BFGS:    6 15:25:36     -100.062544         0.004812
BFGS:    7 15:25:36     -100.062554         0.001834
BFGS:    8 15:25:36     -100.062556         0.000234
BFGS:    9 15:25:36     -100.062556         0.000019
BFGS:   10 15:25:36     -100.062556         0.000000
BFGS:   11 15:25:36     -100.062556         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.87321410402164e-09 eV/Angstrom
Maximum stress component: 4.89167423702813e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[5.00000000e-01 2.99028211e-35 0.00000000e+00]
 [1.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.99346224e-35 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.31849356e-01 6.63698712e-01 2.50000000e-01]
 [3.36301288e-01 1.68150644e-01 2.50000000e-01]
 [8.31849356e-01 1.68150644e-01 2.50000000e-01]
 [1.68150644e-01 3.36301288e-01 7.50000000e-01]
 [6.63698712e-01 8.31849356e-01 7.50000000e-01]
 [1.68150644e-01 8.31849356e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.50964412e-55 0.00000000e+00 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.577748842079519, 8.09628814206818e-19, -1.7567952255143916e-40], [-2.7888744210397594, 4.830472193170102, -3.918071443276354e-40], [-1.1536484071515695e-38, -3.0723055215829197e-37, 9.102656179204894]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.18252966e-25 -4.87321410e-09  7.01243124e-32]
 [ 4.22032721e-09  2.43660705e-09 -1.86998166e-32]
 [-4.22032721e-09  2.43660705e-09  3.27246791e-32]
 [-3.72063053e-25  4.87321410e-09 -4.83891009e-49]
 [-4.22032721e-09 -2.43660705e-09  3.74871008e-49]
 [ 4.22032721e-09 -2.43660705e-09  1.09020002e-49]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.36996908e-71  6.31151488e-70 -1.86998166e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.89167424e-10 -4.89167424e-10 -2.45227656e-10  1.66443315e-34
  4.55192018e-35 -1.12029419e-25]
energy per atom =  -6.253909727161934
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0