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 20:35:29     -100.052165         0.202530
BFGS:    1 20:35:29     -100.055629         0.154450
BFGS:    2 20:35:29     -100.061127         0.067292
BFGS:    3 20:35:29     -100.061299         0.063116
BFGS:    4 20:35:29     -100.062446         0.015364
BFGS:    5 20:35:29     -100.062450         0.014834
BFGS:    6 20:35:29     -100.062544         0.004812
BFGS:    7 20:35:29     -100.062554         0.001834
BFGS:    8 20:35:29     -100.062556         0.000234
BFGS:    9 20:35:29     -100.062556         0.000019
BFGS:   10 20:35:29     -100.062556         0.000000
BFGS:   11 20:35:29     -100.062556         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.8732239663165705e-09 eV/Angstrom
Maximum stress component: 4.891680680112427e-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 0.00000000e+00 0.00000000e+00]
 [1.00000000e+00 5.00000000e-01 5.73485747e-55]
 [5.00000000e-01 5.00000000e-01 5.73485747e-55]
 [5.00000000e-01 2.18245977e-38 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]
 [1.69342769e-54 4.32276048e-54 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.577748842079518, -6.798760608999746e-19, -1.0276934922061434e-38], [-2.788874421039759, 4.8304721931701, 4.828598743167946e-38], [-3.8526083049249267e-38, -2.108462245003196e-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]
 [ 1.25447488e-25 -4.87322397e-09 -2.57122479e-32]
 [ 4.22033575e-09  2.43661198e-09  9.34990832e-33]
 [-4.22033575e-09  2.43661198e-09  1.05186469e-31]
 [ 1.27845884e-24  4.87322397e-09  4.35293942e-47]
 [-4.22033575e-09 -2.43661198e-09 -1.39887794e-47]
 [ 4.22033575e-09 -2.43661198e-09 -2.95406148e-47]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.58340417e-32  7.93868889e-32  1.02848992e-31]
 [-9.16680833e-32  1.11734926e-50  1.68897337e-70]]
stress =  [-4.89168068e-10 -4.89168068e-10 -2.45228074e-10 -1.84915364e-47
 -5.76157940e-48  1.23712387e-25]
energy per atom =  -6.253909727161933
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0